Prof Stefan Knapp studied Chemistry at the University of Marburg (Germany) and at the University of Illinois (USA). He did his PhD in protein crystallography at the Karolinska Institute in Stockholm (Sweden) (1996) and continued his career at the Karolinska Institute as a postdoctoral scientist (1996-1999). In 1999, he joined the Pharmacia Corporation as a principal research scientist in structural biology and biophysics. He left the company in 2004 to set up a research group at the Structural Genomics Consortium at Oxford University (SGC). From 2008 to 2015 he was a Professor of Structural Biology at the Nuffield Department of Clinical Medicine (NDM) at Oxford University (UK) and between 2012 and 2015 he was the Director for Chemical Biology at the Target Discovery Institute (TDI). He joined Frankfurt University (Germany) in 2015 as a Professor of Pharmaceutical Chemistry and the Buchmann Institute of Molecular Life Sciences. He remains associated to the SGC as a visiting Professor at Oxford and he is also adjunct Professor of the George Washington University. Since 2017 he is the CSO of the newly founded SGC node at the Goethe-University Frankfurt. His research interests are the rational design of selective inhibitors that target protein kinases as well as protein interactions modules that function as reader domains of the epigenetic code.  

Research Areas

My laboratory is interested in understanding molecular mechanisms that regulate protein function of key signalling molecules and how these mechanisms can be utilized for the development of highly selective and potent inhibitors (chemical probes). As a basis for this work we have generated a comprehensive set of high resolution crystal structures that cover most members of the protein family of interest. We are particularly interested in protein interactions module of the bromodomain family that specifically recognize ε-N-lysine acetylation motifs, a key event in the reading process of epigenetic marks. This effort generated several highly selective chemical probes targeting bromodomains. A second research focus is on protein kinases. Our laboratory has solved a comprehensive set of crystal structure of this large protein family offering the opportunity to understand molecular mechanisms of their regulation and developing new strategies for their selective targeting. We developed for example a number of highly selective inhibitors by exploring unusual binding modes and allosteric binding sites. A particular focus of the laboratory is also to understand structural mechanisms leading to slow binding kinetics as part of the K4DD consortium.

Design, Synthesis, and Evaluation of WD-Repeat-Containing Protein 5 (WDR5) Degraders.
Dölle A, Adhikari B, Krämer A, Weckesser J, Berner N, Berger LM, Diebold M, Szewczyk MM, Barsyte-Lovejoy D, Arrowsmith CH, Gebel J, Löhr F, Dötsch V, Eilers M, Heinzlmeir S, Kuster B, Sotriffer C, Wolf E, Knapp S
J Med Chem. 2021 . doi: 10.1021/acs.jmedchem.1c00146
PMID: 33980013

Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Berger BT, Amaral M, Kokh DB, Nunes-Alves A, Musil D, Heinrich T, Schröder M, Neil R, Wang J, Navratilova I, Bomke J, Elkins JM, Müller S, Frech M, Wade RC, Knapp S
Cell Chem Biol. 2021 . doi: 10.1016/j.chembiol.2021.01.003
PMID: 33497606

PROTAC-mediated degradation reveals a non-catalytic function of AURORA-A kinase.
Adhikari B, Bozilovic J, Diebold M, Schwarz JD, Hofstetter J, Schröder M, Wanior M, Narain A, Vogt M, Dudvarski Stankovic N, Baluapuri A, Schönemann L, Eing L, Bhandare P, Kuster B, Schlosser A, Heinzlmeir S, Sotriffer C, Knapp S, Wolf E
Nat. Chem. Biol.. 2020 . doi: 10.1038/s41589-020-00652-y
PMID: 32989298

Structure of LRRK2 in Parkinson's disease and model for microtubule interaction
Deniston CK, Salogiannis J, Mathea S, Snead DM, Lahiri I, Matyszewski M, Donosa O, Watanabe R, Böhning J, Shiau AK, Knapp S, Villa E, Reck-Peterson SL, Leschziner AE
Nature. 2020 vol. 588,7837 (2020): 344-349. doi: 10.1038/s41586-020-2673-2
PMID: 32814344

A chemical toolbox for the study of bromodomains and epigenetic signaling.
Wu Q, Heidenreich D, Zhou S, Ackloo S, Krämer A, Nakka K, Lima-Fernandes E, Deblois G, Duan S, Vellanki RN, Li F, Vedadi M, Dilworth J, Lupien M, Brennan PE, Arrowsmith CH, Müller S, Fedorov O, Filippakopoulos P, Knapp S
Nat Commun. 2019 10(1):1915. doi: 10.1038/s41467-019-09672-2
PMID: 31015424

Histone recognition and large-scale structural analysis of the human bromodomain family.
Filippakopoulos P, Picaud S, Mangos M, Keates T, Lambert JP, Barsyte-Lovejoy D, Felletar I, Volkmer R, Müller S, Pawson T, Gingras AC, Arrowsmith CH, Knapp S
Cell. 2012 149(1):214-31. doi: 10.1016/j.cell.2012.02.013
PMID: 22464331

Selective inhibition of BET bromodomains.
Filippakopoulos P, Qi J, Picaud S, Shen Y, Smith WB, Fedorov O, Morse EM, Keates T, Hickman TT, Felletar I, Philpott M, Munro S, McKeown MR, Wang Y, Christie AL, West N, Cameron MJ, Schwartz B, Heightman TD, La Thangue N, French CA, Wiest O, Kung AL, Knapp S, Bradner JE
Nature. 2010 468(7327):1067-73. doi: 10.1038/nature09504
PMID: 20871596

The (un)targeted cancer kinome.
Fedorov O, Müller S, Knapp S
Nat. Chem. Biol.. 2010 6(3):166-169. doi: 10.1038/nchembio.297
PMID: 20154661

Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Barr AJ, Ugochukwu E, Lee WH, King ON, Filippakopoulos P, Alfano I, Savitsky P, Burgess-Brown NA, Müller S, Knapp S
Cell. 2009 136(2):352-63. doi: 10.1016/j.cell.2008.11.038
PMID: 19167335

Structural coupling of SH2-kinase domains links Fes and Abl substrate recognition and kinase activation.
Filippakopoulos P, Kofler M, Hantschel O, Gish GD, Grebien F, Salah E, Neudecker P, Kay LE, Turk BE, Superti-Furga G, Pawson T, Knapp S
Cell. 2008 134(5):793-803. doi: 10.1016/j.cell.2008.07.047
PMID: 18775312

A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Fedorov O, Marsden B, Pogacic V, Rellos P, Müller S, Bullock AN, Schwaller J, Sundström M, Knapp S
Proc. Natl. Acad. Sci. U.S.A.. 2007 104(51):20523-8. doi: 10.1073/pnas.0708800104
PMID: 18077363

2021

Discovery of a Potent Dual SLK/STK10 Inhibitor Based on a Maleimide Scaffold.
Serafim RAM, Sorrell FJ, Berger BT, Collins RJ, Vasconcelos SNS, Massirer KB, Knapp S, Bennett J, Fedorov O, Patel H, Zuercher WJ, Elkins JM
J Med Chem. 31.8.2021 . doi: 10.1021/acs.jmedchem.0c01579
PMID: 34463505

The Small-Molecule Inhibitor MRIA9 Reveals Novel Insights into the Cell Cycle Roles of SIK2 in Ovarian Cancer Cells.
Raab M, Rak M, Tesch R, Gasimli K, Becker S, Knapp S, Strebhardt K, Sanhaji M
Cancers (Basel). 21.7.2021 13(15):. doi: 10.3390/cancers13153658
PMID: 34359562

Trends in kinase drug discovery: targets, indications and inhibitor design.
Attwood MM, Fabbro D, Sokolov AV, Knapp S, Schiöth HB
Nat Rev Drug Discov. 5.8.2021 . doi: 10.1038/s41573-021-00252-y
PMID: 34354255

Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family.
Nonga OE, Lavogina D, Enkvist E, Kestav K, Chaikuad A, Dixon-Clarke SE, Bullock AN, Kopanchuk S, Ivan T, Ekambaram R, Viht K, Knapp S, Uri A
Molecules. 19.7.2021 26(14):. doi: 10.3390/molecules26144353
PMID: 34299628

Integrated analysis of Shank1 PDZ interactions with C-terminal and internal binding motifs.
Ali M, McAuley MM, Lüchow S, Knapp S, Joerger AC, Ivarsson Y
Curr Res Struct Biol. 9.7.2021 3:41-50. doi: 10.1016/j.crstbi.2021.01.001
PMID: 34235485

Addressing a Trapped High-Energy Water: Design and Synthesis of Highly Potent Pyrimidoindole-Based Glycogen Synthase Kinase-3β Inhibitors.
Andreev S, Pantsar T, Tesch R, Kahlke N, El-Gokha A, Ansideri F, Grätz L, Romasco J, Sita G, Geibel C, Lämmerhofer M, Tarozzi A, Knapp S, Laufer SA, Koch P
J Med Chem. 2.7.2021 . doi: 10.1021/acs.jmedchem.0c02146
PMID: 34213342

Conformational plasticity of the ULK3 kinase domain.
Mathea S, Salah E, Tallant C, Chatterjee D, Berger BT, Konietzny R, Müller-Knapp S, Kessler BM, Knapp S
Biochem J. 30.6.2021 . doi: 10.1042/BCJ20210257
PMID: 34190988

Propranolol Activates the Orphan Nuclear Receptor TLX to Counteract Proliferation and Migration of Glioblastoma Cells.
Faudone G, Bischoff-Kont I, Rachor L, Willems S, Zhubi R, Kaiser A, Chaikuad A, Knapp S, Fürst R, Heering J, Merk D
J Med Chem. 11.6.2021 . doi: 10.1021/acs.jmedchem.1c00733
PMID: 34115934

Conformation and dynamics of the kinase domain drive subcellular location and activation of LRRK2.
Schmidt SH, Weng JH, Aoto PC, Boassa D, Mathea S, Silletti S, Hu J, Wallbott M, Komives EA, Knapp S, Herberg FW, Taylor SS
Proc Natl Acad Sci U S A. 8.6.2021 118(23):. doi: 10.1073/pnas.2100844118
PMID: 34088839

Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
Tesch R, Rak M, Raab M, Berger LM, Kronenberger T, Joerger AC, Berger BT, Abdi I, Hanke T, Poso A, Strebhardt K, Sanhaji M, Knapp S
J Med Chem. 4.6.2021 . doi: 10.1021/acs.jmedchem.0c02144
PMID: 34086472

Controlling the Covalent Reactivity of a Kinase Inhibitor with Light.
Reynders M, Chaikuad A, Berger BT, Bauer K, Koch P, Laufer S, Knapp S, Trauner D
Angew Chem Int Ed Engl. 3.6.2021 . doi: 10.1002/anie.202103767
PMID: 34081840

C81-evoked inhibition of the TNFR1-NFκB pathway during inflammatory processes for stabilization of the impaired vascular endothelial barrier for leukocytes.
Krishnathas GM, Strödke B, Mittmann L, Zech T, Berger LM, Reichel CA, Rösser S, Schmid T, Knapp S, Müller S, Bracher F, Fürst R, Bischoff-Kont I
FASEB J. 28.5.2021 35(6):e21656. doi: 10.1096/fj.202100037R
PMID: 34042211

Large-Scale Recombinant Production of the SARS-CoV-2 Proteome for High-Throughput and Structural Biology Applications.
Altincekic N, Korn SM, Qureshi NS, Dujardin M, Ninot-Pedrosa M, Abele R, Abi Saad MJ, Alfano C, Almeida FCL, Alshamleh I, de Amorim GC, Anderson TK, Anobom CD, Anorma C, Bains JK, Bax A, Blackledge M, Blechar J, Böckmann A, Brigandat L, Bula A, Bütikofer M, Camacho-Zarco AR, Carlomagno T, Caruso IP, Ceylan B, Chaikuad A, Chu F, Cole L, Crosby MG, de Jesus V, Dhamotharan K, Felli IC, Ferner J, Fleischmann Y, Fogeron ML, Fourkiotis NK, Fuks C, Fürtig B, Gallo A, Gande SL, Gerez JA, Ghosh D, Gomes-Neto F, Gorbatyuk O, Guseva S, Hacker C, Häfner S, Hao B, Hargittay B, Henzler-Wildman K, Hoch JC, Hohmann KF, Hutchison MT, Jaudzems K, Jović K, Kaderli J, Kalniņš G, Kaņepe I, Kirchdoerfer RN, Kirkpatrick J, Knapp S, Krishnathas R, Kutz F, Zur Lage S, Lambertz R, Lang A, Laurents D, Lecoq L, Linhard V, Löhr F, Malki A, Bessa LM, Martin RW, Matzel T, Maurin D, McNutt SW, Mebus-Antunes NC, Meier BH, Meiser N, Mompeán M, Monaca E, Montserret R, Mariño Perez L, Moser C, Muhle-Goll C, Neves-Martins TC, Ni X, Norton-Baker B, Pierattelli R, Pontoriero L, Pustovalova Y, Ohlenschläger O, Orts J, Da Poian AT, Pyper DJ, Richter C, Riek R, Rienstra CM, Robertson A, Pinheiro AS, Sabbatella R, Salvi N, Saxena K, Schulte L, Schiavina M, Schwalbe H, Silber M, Almeida MDS, Sprague-Piercy MA, Spyroulias GA, Sreeramulu S, Tants JN, Tārs K, Torres F, Töws S, Treviño MÁ, Trucks S, Tsika AC, Varga K, Wang Y, Weber ME, Weigand JE, Wiedemann C, Wirmer-Bartoschek J, Wirtz Martin MA, Zehnder J, Hengesbach M, Schlundt A
Front Mol Biosci. 28.5.2021 8:653148. doi: 10.3389/fmolb.2021.653148
PMID: 34041264

Endogenous vitamin E metabolites mediate allosteric PPARγ activation with unprecedented co-regulatory interactions.
Willems S, Gellrich L, Chaikuad A, Kluge S, Werz O, Heering J, Knapp S, Lorkowski S, Schubert-Zsilavecz M, Merk D
Cell Chem Biol. 12.5.2021 . doi: 10.1016/j.chembiol.2021.04.019
PMID: 33989565

Design, Synthesis, and Evaluation of WD-Repeat-Containing Protein 5 (WDR5) Degraders.
Dölle A, Adhikari B, Krämer A, Weckesser J, Berner N, Berger LM, Diebold M, Szewczyk MM, Barsyte-Lovejoy D, Arrowsmith CH, Gebel J, Löhr F, Dötsch V, Eilers M, Heinzlmeir S, Kuster B, Sotriffer C, Wolf E, Knapp S
J Med Chem. 13.5.2021 . doi: 10.1021/acs.jmedchem.1c00146
PMID: 33980013

Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Ni X, Schröder M, Olieric V, Sharpe ME, Hernandez-Olmos V, Proschak E, Merk D, Knapp S, Chaikuad A
ACS Med Chem Lett. 8.4.2021 12(4):603-609. doi: 10.1021/acsmedchemlett.0c00684
PMID: 33850605

7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a Cut and Glue Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors.
Karatas M, Chaikuad A, Berger B, Kubbutat MHG, Totzke F, Knapp S, Kunick C
Molecules. 14.3.2021 26(6):. doi: 10.3390/molecules26061611
PMID: 33799460

Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics.
Schierle S, Chaikuad A, Lillich FF, Ni X, Woltersdorf S, Schallmayer E, Renelt B, Ronchetti R, Knapp S, Proschak E, Merk D
J Med Chem. 1.4.2021 . doi: 10.1021/acs.jmedchem.1c00235
PMID: 33793232

Structure and Inhibitor Binding Characterization of Oncogenic MLLT1 Mutants.
Ni X, Londregan AT, Owen DR, Knapp S, Chaikuad A
ACS Chem Biol. 21.3.2021 . doi: 10.1021/acschembio.0c00960
PMID: 33749253

Highly selective inhibitors of protein kinases CLK and HIPK with the furo[3,2-b]pyridine core.
Němec V, Maier L, Berger BT, Chaikuad A, Drápela S, Souček K, Knapp S, Paruch K
Eur J Med Chem. 18.2.2021 215:113299. doi: 10.1016/j.ejmech.2021.113299
PMID: 33636538

Drugging the 'undruggable' MYCN oncogenic transcription factor: Overcoming previous obstacles to impact childhood cancers.
Wolpaw AJ, Bayliss R, Büchel G, Dang CV, Eilers M, Gustafson WC, Hansen GM, Jura N, Knapp S, Lemmon MA, Levens D, Maris JM, Marmorstein R, Metallo SJ, Park JR, Penn LZ, Rape M, Roussel MF, Shokat KM, Tansey WP, Verba KA, Vos SM, Weiss WA, Wolf E, Mossé YP
Cancer Res. 28.1.2021 . doi: 10.1158/0008-5472.CAN-20-3108
PMID: 33509943

Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Berger BT, Amaral M, Kokh DB, Nunes-Alves A, Musil D, Heinrich T, Schröder M, Neil R, Wang J, Navratilova I, Bomke J, Elkins JM, Müller S, Frech M, Wade RC, Knapp S
Cell Chem Biol. 21.1.2021 . doi: 10.1016/j.chembiol.2021.01.003
PMID: 33497606

Development of a potent and selective chemical probe for the pleiotropic kinase CK2.
Wells CI, Drewry DH, Pickett JE, Tjaden A, Krämer A, Müller S, Gyenis L, Menyhart D, Litchfield DW, Knapp S, Axtman AD
Cell Chem Biol. 11.1.2021 . doi: 10.1016/j.chembiol.2020.12.013
PMID: 33484635

The Kinase Chemogenomic Set (KCGS): An Open Science Resource for Kinase Vulnerability Identification.
Wells CI, Al-Ali H, Andrews DM, Asquith CRM, Axtman AD, Dikic I, Ebner D, Ettmayer P, Fischer C, Frederiksen M, Futrell RE, Gray NS, Hatch SB, Knapp S, Lücking U, Michaelides M, Mills CE, Müller S, Owen D, Picado A, Saikatendu KS, Schröder M, Stolz A, Tellechea M, Turunen BJ, Vilar S, Wang J, Zuercher WJ, Willson TM, Drewry DH
Int J Mol Sci. 8.1.2021 22(2):. doi: 10.3390/ijms22020566
PMID: 33429995

2020

How to Separate Kinase Inhibition from Undesired Monoamine Oxidase A Inhibition-The Development of the DYRK1A Inhibitor AnnH75 from the Alkaloid Harmine.
Wurzlbauer A, Rüben K, Gürdal E, Chaikuad A, Knapp S, Sippl W, Becker W, Bracher F
Molecules. 16.12.2020 25(24):. doi: 10.3390/molecules25245962
PMID: 33339338

Discovery of a Novel Class of Covalent Dual Inhibitors Targeting the Protein Kinases BMX and BTK.
Forster M, Liang XJ, Schröder M, Gerstenecker S, Chaikuad A, Knapp S, Laufer S, Gehringer M
Int J Mol Sci. 4.12.2020 21(23):. doi: 10.3390/ijms21239269
PMID: 33291717

Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
Wanior M, Preuss F, Ni X, Krämer A, Mathea S, Göbel T, Heidenreich D, Simonyi S, Kahnt AS, Joerger AC, Knapp S
J Med Chem. 10.12.2020 63(23):14680-14699. doi: 10.1021/acs.jmedchem.0c01242
PMID: 33216538

A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
Picado A, Chaikuad A, Wells CI, Shrestha S, Zuercher WJ, Pickett JE, Kwarcinski FE, Sinha P, de Silva CS, Zutshi R, Liu S, Kannan N, Knapp S, Drewry DH, Willson TM
J Med Chem. 20.11.2020 . doi: 10.1021/acs.jmedchem.0c01174
PMID: 33215924

Design, Synthesis, and Characterization of an Orally Active Dual-Specific ULK1/2 Autophagy Inhibitor that Synergizes with the PARP Inhibitor Olaparib for the Treatment of Triple-Negative Breast Cancer.
Ren H, Bakas NA, Vamos M, Chaikuad A, Limpert AS, Wimer CD, Brun SN, Lambert LJ, Tautz L, Celeridad M, Sheffler DJ, Knapp S, Shaw RJ, Cosford NDP
J Med Chem. 17.11.2020 . doi: 10.1021/acs.jmedchem.0c00873
PMID: 33200929

Aminothiazolones as potent, selective and cell active inhibitors of the PIM kinase family.
Quevedo CE, Bataille CJR, Byrne S, Durbin M, Elkins J, Guillermo A, Jones AM, Knapp S, Nadali A, Walker RG, Wilkinson IVL, Wynne GM, Davies SG, Russell AJ
Bioorg Med Chem. 26.8.2020 28(22):115724. doi: 10.1016/j.bmc.2020.115724
PMID: 33128909

Kinase Domain Is a Dynamic Hub for Driving LRRK2 Allostery.
Taylor SS, Kaila-Sharma P, Weng JH, Aoto P, Schmidt SH, Knapp S, Mathea S, Herberg FW
Front Mol Neurosci. 31.10.2020 13:538219. doi: 10.3389/fnmol.2020.538219
PMID: 33122997

Crystal Structure and Inhibitor Identifications Reveal Targeting Opportunity for the Atypical MAPK Kinase ERK3.
Schröder M, Filippakopoulos P, Schwalm MP, Ferrer CA, Drewry DH, Knapp S, Chaikuad A
Int J Mol Sci. 26.10.2020 21(21):. doi: 10.3390/ijms21217953
PMID: 33114754

Design of new disubstituted imidazo[1,2-b]pyridazine derivatives as selective Haspin inhibitors. Synthesis, binding mode and anticancer biological evaluation.
Elie J, Feizbakhsh O, Desban N, Josselin B, Baratte B, Bescond A, Duez J, Fant X, Bach S, Marie D, Place M, Ben Salah S, Chartier A, Berteina-Raboin S, Chaikuad A, Knapp S, Carles F, Bonnet P, Buron F, Routier S, Ruchaud S
J Enzyme Inhib Med Chem. 13.10.2020 35(1):1840-1853. doi: 10.1080/14756366.2020.1825408
PMID: 33040634

Selective targeting of the αC and DFG-out pocket in p38 MAPK.
Röhm S, Schröder M, Dwyer JE, Widdowson CS, Chaikuad A, Berger BT, Joerger AC, Krämer A, Harbig J, Dauch D, Kudolo M, Laufer S, Bagley MC, Knapp S
Eur J Med Chem. 20.8.2020 208:112721. doi: 10.1016/j.ejmech.2020.112721
PMID: 33035818

Decoding the Papain Inhibitor from Streptomyces mobaraensis as Being Hydroxylated Chymostatin Derivatives: Purification, Structure Analysis, and Putative Biosynthetic Pathway.
Juettner NE, Bogen JP, Bauer TA, Knapp S, Pfeifer F, Huettenhain SH, Meusinger R, Kraemer A, Fuchsbauer HL
J. Nat. Prod.. 30.9.2020 . doi: 10.1021/acs.jnatprod.0c00201
PMID: 32998509

PROTAC-mediated degradation reveals a non-catalytic function of AURORA-A kinase.
Adhikari B, Bozilovic J, Diebold M, Schwarz JD, Hofstetter J, Schröder M, Wanior M, Narain A, Vogt M, Dudvarski Stankovic N, Baluapuri A, Schönemann L, Eing L, Bhandare P, Kuster B, Schlosser A, Heinzlmeir S, Sotriffer C, Knapp S, Wolf E
Nat. Chem. Biol.. 28.9.2020 . doi: 10.1038/s41589-020-00652-y
PMID: 32989298

Nanopore Enzymology to Study Protein Kinases and Their Inhibition by Small Molecules.
Harrington L, Alexander LT, Knapp S, Bayley H
Methods Mol. Biol.. 13.9.2020 2186:95-114. doi: 10.1007/978-1-0716-0806-7_8
PMID: 32918732

Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor.
Krämer A, Kurz CG, Berger BT, Celik IE, Tjaden A, Greco FA, Knapp S, Hanke T
Eur J Med Chem. 23.8.2020 208:112770. doi: 10.1016/j.ejmech.2020.112770
PMID: 32883634

Structure of LRRK2 in Parkinson's disease and model for microtubule interaction
Deniston CK, Salogiannis J, Mathea S, Snead DM, Lahiri I, Matyszewski M, Donosa O, Watanabe R, Böhning J, Shiau AK, Knapp S, Villa E, Reck-Peterson SL, Leschziner AE
Nature. 19 Aug 2020 vol. 588,7837 (2020): 344-349. doi: 10.1038/s41586-020-2673-2
PMID: 32814344

Nucleotide Binding, Evolutionary Insights, and Interaction Partners of the Pseudokinase Unc-51-like Kinase 4.
Preuss F, Chatterjee D, Mathea S, Shrestha S, St-Germain J, Saha M, Kannan N, Raught B, Rottapel R, Knapp S
Structure. 13.8.2020 . doi: 10.1016/j.str.2020.07.016
PMID: 32814032

DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity
Schröder M, Bullock AN, Fedorov O, Bracher F, Chaikuad A, Knapp S
Journal of Medicinal Chemistry. 11.08.2020 63:10224-10234. doi: 10.1021/acs.jmedchem.0c00898
PMID: 32787076

Structural Insights into Pseudokinase Domains of Receptor Tyrosine Kinases.
Sheetz JB, Mathea S, Karvonen H, Malhotra K, Chatterjee D, Niininen W, Perttilä R, Preuss F, Suresh K, Stayrook SE, Tsutsui Y, Radhakrishnan R, Ungureanu D, Knapp S, Lemmon MA
Mol. Cell. 24.6.2020 . doi: 10.1016/j.molcel.2020.06.018
PMID: 32619402

Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Zhang X, Zegar T, Weiser T, Hamdan FH, Berger BT, Lucas R, Balourdas DI, Ladigan S, Cheung PF, Liffers ST, Trajkovic-Arsic M, Scheffler B, Joerger AC, Hahn SA, Johnsen SA, Knapp S, Siveke JT
Int. J. Cancer. 29.6.2020 . doi: 10.1002/ijc.33137
PMID: 32599645

Backbone resonance assignments of the catalytic and regulatory domains of Ca2+/calmodulin-dependent protein kinase 1D.
Tong MHG, Jeeves M, Rajesh S, Ludwig C, Lenoir M, Kumar J, McClelland DM, Berditchevski F, Hubbard JA, Kenyon C, Butterworth S, Knapp S, Overduin M
Biomol NMR Assign. 13.6.2020 . doi: 10.1007/s12104-020-09950-x
PMID: 32535836

Bioisosteric Replacement of Arylamide-linked Spine Residues by N-Acylhydrazones and Selenophenes as Design Strategy to Novel Dibenzosuberone Derivatives as Type I½ p38 MAP Kinase Inhibitors.
Galvez Bulh Otilde Es Pedreira JUL, Nahidino P, Kudolo M, Pantsar T, Berger BT, Forster M, Knapp S, Laufer SA, Barreiro EJ
J. Med. Chem.. 28.5.2020 . doi: 10.1021/acs.jmedchem.0c00508
PMID: 32462866

Discovery of highly selective inhibitors of calmodulin-dependent kinases that restore insulin sensitivity in the diet-induced obese in vivo mouse model.
Fromont C, Atzori A, Kaur D, Hashmi L, Greco G, Cabanillas A, Nguyen HV, Jones DH, Garzón M, Varela A, Stevenson B, Iacobini G, Lenoir M, Rajesh S, Box C, Kumar J, Grant P, Novitskaia V, Morgan J, Sorrell F, Redondo C, Kramer A, Harris CJ, Leighton B, Vickers S, Cheetham S, Kenyon C, Grabowska AM, Overduin M, Berditchevski F, Weston CJ, Knapp S, Fischer PM, Butterworth S
J. Med. Chem.. 20.5.2020 . doi: 10.1021/acs.jmedchem.9b01803
PMID: 32433887

Radiolabeled cCPE Peptides for SPECT Imaging of Claudin-4 Overexpression in Pancreatic Cancer.
Baguña Torres J, Mosley M, Koustoulidou S, Hopkins S, Knapp S, Chaikuad A, Kondoh M, Tachibana K, Kersemans V, Cornelissen B
J. Nucl. Med.. 15.5.2020 . doi: 10.2967/jnumed.120.243113
PMID: 32414951

Therapeutic targeting of p300/CBP HAT domain for the treatment of NUT midline carcinoma.
Zhang X, Zegar T, Lucas A, Morrison-Smith C, Knox T, French CA, Knapp S, Müller S, Siveke JT
Oncogene. 4.5.2020 . doi: 10.1038/s41388-020-1301-9
PMID: 32366905

L-thyroxin and the non-classical thyroid hormone TETRAC are potent activators of PPARγ.
Gellrich L, Heitel P, Heering J, Kilu W, Pollinger J, Goebel T, Kahnt A, Arifi S, Pogoda W, Paulke A, Steinhilber D, Proschak E, Wurglics M, Schubert-Zsilavecz M, Chaikuad A, Knapp S, Bischoff I, Fürst R, Merk D
J. Med. Chem.. 1.5.2020 . doi: 10.1021/acs.jmedchem.9b02150
PMID: 32356658

Quantifying Target Occupancy of Small Molecules within Living Cells
Robers MB, Friedman-Ohana R, Huber KVM, Huber KVM, Kilpatrick L, Kilpatrick L, Vasta JD, Berger BT, Chaudhry C, Hill S, Hill S, Müller S, Müller S, Knapp S, Knapp S, Knapp S, Knapp S, Wood KV, Wood KV
Annual Review of Biochemistry. 24.03.2020 89:557-581. doi: 10.1146/annurev-biochem-011420-092302
PMID: 32208767

A Highly Selective Chemical Probe for Activin Receptor-like Kinases ALK4 and ALK5.
Hanke T, Wong JF, Berger BT, Abdi I, Berger LM, Tesch R, Tredup C, Bullock AN, Müller-Knapp S, Knapp S
ACS Chem. Biol.. 16.3.2020 . doi: 10.1021/acschembio.0c00076
PMID: 32176847

Identification of molecular targets for the targeted treatment of gastric cancer using dasatinib.
Montenegro RC, Howarth A, Ceroni A, Fedele V, Farran B, Mesquita FP, Frejno M, Berger BT, Heinzlmeir S, Sailem HZ, Tesch R, Ebner D, Knapp S, Burbano R, Kuster B, Müller S
Oncotarget. 4.2.2020 11(5):535-549. doi: 10.18632/oncotarget.27462
PMID: 32082487

Effects of epigenetic pathway inhibitors on corticotroph tumour AtT20 cells.
Lines KE, Filippakopoulos P, Stevenson M, Muller S, Lockstone HE, Wright B, Knapp S, Buck D, Bountra C, Thakker RV
Endocr. Relat. Cancer. 1.1.2020 . doi: 10.1530/ERC-19-0448
PMID: 31935194

2013

Real-Time Monitoring of the Dephosphorylating Activity of Protein Tyrosine Phosphatases Using Microarrays with 3-Nitrophosphotyrosine Substrates.
van Ameijde J, Overvoorde J, Knapp S, den Hertog J, Ruijtenbeek R, Liskamp RMJ
Chempluschem. 1.11.2013 78(11):1349-1357. doi: 10.1002/cplu.201300299
PMID: 31986648

5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Hopkinson RJ, Tumber A, Yapp C, Chowdhury R, Aik W, Che KH, Li XS, Kristensen JB, King ON, Chan MC, Yeoh KK, Choi H, Walport LJ, Thinnes CC, Bush JT, Lejeune C, Rydzik AM, Rose NR, Bagg EA, McDonough MA, Krojer T, Yue WW, Ng SS, Olsen L, Brennan PE, Oppermann U, Muller-Knapp S, Klose RJ, Ratcliffe PJ, Schofield CJ, Kawamura A
Chem Sci. 1.8.2013 4(8):3110-3117. doi: 10.1039/C3SC51122G
PMID: 26682036

The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains.
Hay D, Fedorov O, Filippakopoulos P, Martin S, Philpott M, Picaud S, Hewings DS, Uttakar S, Heightman TD, Conway SJ, Knapp S, Brennan PE
Medchemcomm. 1.1.2013 4(1):140-144. doi: 10.1039/C2MD20189E
PMID: 26682033

Identification of a Major Determinant for Serine-Threonine Kinase Phosphoacceptor Specificity.
Chen C, Ha BH, Thévenin AF, Lou HJ, Zhang R, Yip KY, Peterson JR, Gerstein M, Kim PM, Filippakopoulos P, Knapp S, Boggon TJ, Turk BE
Mol. Cell. 24.12.2013 . doi: 10.1016/j.molcel.2013.11.013
PMID: 24374310

Diverse Levels of Sequence Selectivity and Catalytic Efficiency of Protein-Tyrosine Phosphatases.
Selner NG, Luechapanichkul R, Chen X, Neel BG, Zhang ZY, Knapp S, Bell CE, Pei D
Biochemistry. 20.12.2013 . doi: 10.1021/bi401223r
PMID: 24359314

[1,2,4]Triazolo[4,3-a]phthalazines: inhibitors of diverse bromodomains.
Fedorov O, Lingard H, Wells C, Monteiro OP, Picaud S, Keates T, Yapp C, Philpott M, Martin SJ, Felletar I, Marsden B, Filippakopoulos P, Muller-Knapp S, Knapp S, Brennan PE
J. Med. Chem.. 8.12.2013 . doi: 10.1021/jm401568s
PMID: 24313754

A versatile spectrophotometric protein tyrosine phosphatase assay based on 3-nitrophosphotyrosine containing substrates.
Ameijde JV, Overvoorde J, Knapp S, Hertog JD, Ruijtenbeek R, Liskamp RM
Anal. Biochem.. 2.12.2013 . doi: 10.1016/j.ab.2013.11.023
PMID: 24309020

Targeting low-druggability bromodomains: Fragment based screening and inhibitor design against the BAZ2B bromodomain.
Ferguson FM, Fedorov O, Chaikuad A, Philpott M, Muniz J, Felletar I, von Delft F, Heightman TD, Knapp S, Abell C, Ciulli A
J. Med. Chem.. 4.12.2013 . doi: 10.1021/jm401582c
PMID: 24304323

Maintenance of muscle myosin levels in adult C. elegans requires both the double bromodomain protein BET-1 and sumoylation.
Fisher K, Gee F, Wang S, Xue F, Knapp S, Philpott M, Wells C, Rodriguez M, Snoek LB, Kammenga J, Poulin GB
Biol Open. 8.11.2013 . doi: 10.1242/bio.20136007
PMID: 24285704

RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Picaud S, Wells C, Felletar I, Brotherton D, Martin S, Savitsky P, Diez-Dacal B, Philpott M, Bountra C, Lingard H, Fedorov O, Müller S, Brennan PE, Knapp S, Filippakopoulos P
Proc. Natl. Acad. Sci. U.S.A.. 18.11.2013 . doi: 10.1073/pnas.1310658110
PMID: 24248379

Structural determinants for ERK5 (MAPK7) and leucine rich repeat kinase 2 activities of benzo[e]pyrimido-[5,4-b]diazepine-6(11H)-ones.
Deng X, Elkins JM, Zhang J, Yang Q, Erazo T, Gomez N, Choi HG, Wang J, Dzamko N, Lee JD, Sim T, Kim N, Alessi DR, Lizcano JM, Knapp S, Gray NS
Eur J Med Chem. 29.10.2013 70C:758-767. doi: 10.1016/j.ejmech.2013.10.052
PMID: 24239623

Stochastic detection of Pim protein kinases reveals electrostatically enhanced association of a peptide substrate.
Harrington L, Cheley S, Alexander LT, Knapp S, Bayley H
Proc. Natl. Acad. Sci. U.S.A.. 19.11.2013 110(47):E4417-26. doi: 10.1073/pnas.1312739110
PMID: 24194548

Small-Molecule Modulators for Epigenetics Targets.
Knapp S, Weinmann H
ChemMedChem. 14.10.2013 . doi: 10.1002/cmdc.201300344
PMID: 24127276

Highly Functionalized Terpyridines as Competitive Inhibitors of AKAP-PKA Interactions.
Schäfer G, Milić J, Eldahshan A, Götz F, Zühlke K, Schillinger C, Kreuchwig A, Elkins JM, Abdul Azeez KR, Oder A, Moutty MC, Masada N, Beerbaum M, Schlegel B, Niquet S, Schmieder P, Krause G, von Kries JP, Cooper DM, Knapp S, Rademann J, Rosenthal W, Klussmann E
Angew. Chem. Int. Ed. Engl.. 23.9.2013 . doi: 10.1002/anie.201304686
PMID: 24115519

Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
Vidler LR, Filippakopoulos P, Fedorov O, Picaud S, Martin S, Tomsett M, Woodward H, Brown N, Knapp S, Hoelder S
J. Med. Chem.. 3.10.2013 . doi: 10.1021/jm4011302
PMID: 24090311

Mechanism and consequence of the autoactivation of p38α mitogen-activated protein kinase promoted by TAB1.
De Nicola GF, Martin ED, Chaikuad A, Bassi R, Clark J, Martino L, Verma S, Sicard P, Tata R, Atkinson RA, Knapp S, Conte MR, Marber MS
Nat. Struct. Mol. Biol.. 15.9.2013 20(10):1182-1190. doi: 10.1038/nsmb.2668
PMID: 24037507

Topical anti-angiogenic SRPK1 inhibitors reduce choroidal neovascularization in rodent models of exudative-AMD.
Gammons MV, Federov O, Ivison D, Du C, Clark TL, Hopkins C, Hagiwara M, Dick AD, Cox RJ, Harper SJ, Hancox JC, Knapp S, Bates DO
Invest. Ophthalmol. Vis. Sci.. 25.7.2013 . doi: 10.1167/iovs.13-12422
PMID: 23887803

Effect of single amino Acid substitution observed in cancer on pim-1 kinase thermodynamic stability and structure.
Lori C, Lantella A, Pasquo A, Alexander LT, Knapp S, Chiaraluce R, Consalvi V
PLoS ONE. 5.6.2013 8(6):e64824. doi: 10.1371/journal.pone.0064824
PMID: 23755147

Structures of Down Syndrome Kinases, DYRKs, Reveal Mechanisms of Kinase Activation and Substrate Recognition.
Soundararajan M, Roos AK, Savitsky P, Filippakopoulos P, Kettenbach AN, Olsen JV, Gerber SA, Eswaran J, Knapp S, Elkins JM
Structure. 4.6.2013 21(6):986-96. doi: 10.1016/j.str.2013.03.012
PMID: 23665168

X-ray Crystal Structure of ERK5 (MAPK7) in Complex with a Specific Inhibitor.
Elkins JM, Wang J, Deng X, Pattison MJ, Arthur JS, Erazo T, Gomez N, Lizcano JM, Gray NS, Knapp S
J. Med. Chem.. 17.5.2013 . doi: 10.1021/jm4000837
PMID: 23656407

Restoring p53 Function in Human Melanoma Cells by Inhibiting MDM2 and Cyclin B1/CDK1-Phosphorylated Nuclear iASPP.
Lu M, Breyssens H, Salter V, Zhong S, Hu Y, Baer C, Ratnayaka I, Sullivan A, Brown NR, Endicott J, Knapp S, Kessler BM, Middleton MR, Siebold C, Jones EY, Sviderskaya EV, Cebon J, John T, Caballero OL, Goding CR, Lu X
Cancer Cell. 13.5.2013 23(5):618-33. doi: 10.1016/j.ccr.2013.03.013
PMID: 23623661

Selective Bisubstrate Inhibitors with Sub-nanomolar Affinity for Protein Kinase Pim-1.
Ekambaram R, Enkvist E, Vaasa A, Kasari M, Raidaru G, Knapp S, Uri A
ChemMedChem. 24.4.2013 8(6):909-13. doi: 10.1002/cmdc.201300042
PMID: 23616352

PFI-1, a Highly Selective Protein Interaction Inhibitor, Targeting BET Bromodomains.
Picaud S, Da Costa D, Thanasopoulou A, Filippakopoulos P, Fish PV, Philpott M, Fedorov O, Brennan P, Bunnage ME, Owen DR, Bradner JE, Taniere P, O'Sullivan B, Müller S, Schwaller J, Stankovic T, Knapp S
Cancer Res.. 1.6.2013 73(11):3336-3346. doi: 10.1158/0008-5472.CAN-12-3292
PMID: 23576556

Construction of human activity-based phosphorylation networks.
Newman RH, Hu J, Rho HS, Xie Z, Woodard C, Neiswinger J, Cooper C, Shirley M, Clark HM, Hu S, Hwang W, Jeong JS, Wu G, Lin J, Gao X, Ni Q, Goel R, Xia S, Ji H, Dalby KN, Birnbaum MJ, Cole PA, Knapp S, Ryazanov AG, Zack DJ, Blackshaw S, Pawson T, Gingras AC, Desiderio S, Pandey A, Turk BE, Zhang J, Zhu H, Qian J
Mol. Syst. Biol.. 4.4.2013 9:655. doi: 10.1038/msb.2013.12
PMID: 23549483

Optimization of 3,5-dimethylisoxazole derivatives as potent BET bromodomain ligands.
Hewings DS, Fedorov O, Filippakopoulos P, Martin S, Picaud S, Tumber A, Wells C, Olcina MM, Freeman K, Gill A, Ritchie AJ, Sheppard DW, Russell AJ, Hammond EM, Knapp S, Brennan PE, Conway SJ
J. Med. Chem.. 21.3.2013 . doi: 10.1021/jm301588r
PMID: 23517011

Bromo-deaza-SAH: A potent and selective DOT1L inhibitor.
Yu W, Smil D, Li F, Tempel W, Fedorov O, Nguyen KT, Bolshan Y, Al-Awar R, Knapp S, Arrowsmith CH, Vedadi M, Brown PJ, Schapira M
Bioorg. Med. Chem.. 1.4.2013 21(7):1787-94. doi: 10.1016/j.bmc.2013.01.049
PMID: 23433670

Inhibition of BET Bromodomain Targets Genetically Diverse Glioblastoma.
Cheng Z, Gong Y, Ma Y, Lu K, Lu X, Pierce LA, Thompson RC, Muller S, Knapp S, Wang J
Clin. Cancer Res.. 26.3.2013 . doi: 10.1158/1078-0432.CCR-12-3066
PMID: 23403638

Structural Basis for Cul3 Protein Assembly with the BTB-Kelch Family of E3 Ubiquitin Ligases.
Canning P, Cooper CD, Krojer T, Murray JW, Pike AC, Chaikuad A, Keates T, Thangaratnarajah C, Hojzan V, Marsden BD, Gileadi O, Knapp S, von Delft F, Bullock AN
J. Biol. Chem.. 15.3.2013 288(11):7803-14. doi: 10.1074/jbc.M112.437996
PMID: 23349464

Novel Inverse Binding Mode of Indirubin Derivatives Yields Improved Selectivity for DYRK Kinases.
Myrianthopoulos V, Kritsanida M, Gaboriaud-Kolar N, Magiatis P, Ferandin Y, Durieu E, Lozach O, Cappel D, Soundararajan M, Filippakopoulos P, Sherman W, Knapp S, Meijer L, Mikros E, Skaltsounis AL
ACS Med Chem Lett. 10.1.2013 4(1):22-26. doi: 10.1021/ml300207a
PMID: 23336033

Structural Insights into the Activation of MST3 by MO25.
Mehellou Y, Alessi DR, Macartney TJ, Szklarz M, Knapp S, Elkins JM
Biochem. Biophys. Res. Commun.. 4.1.2013 . doi: 10.1016/j.bbrc.2012.12.113
PMID: 23296203

2019

Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Ni X, Heidenreich D, Christott T, Bennett J, Moustakim M, Brennan PE, Fedorov O, Knapp S, Chaikuad A
ACS Med Chem Lett. 12.12.2019 10(12):1661-1666. doi: 10.1021/acsmedchemlett.9b00460
PMID: 31857843

Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1
Ni X, Heidenreich D, Christott T, Bennett J, Moustakim M, Brennan PE, Fedorov O, Knapp S, Chaikuad A
ACS Medicinal Chemistry Letters. 25.11.2019 10:1661-1666. doi: 10.1021/acsmedchemlett.9b00460
PMID: 31857843

A fast iterative synthetic approach towards the identification of novel highly selective p38 MAP kinase inhibitors.
Röhm S, Berger BT, Schröder M, Chaikuad A, Winkel R, Hekking KFW, Benningshof JJC, Mueller G, Tesch R, Kudolo M, Forster M, Laufer SA, Knapp S
J. Med. Chem.. 8.11.2019 . doi: 10.1021/acs.jmedchem.9b01227
PMID: 31702918

Lessons from LIMK1 enzymology and their impact on inhibitor design.
Salah E, Chatterjee D, Beltrami A, Tumber A, Preuss F, Canning P, Chaikuad A, Knaus P, Knapp S, Bullock AN, Mathea S
Biochem. J.. 14.10.2019 . doi: 10.1042/BCJ20190517
PMID: 31652302

Lessons from LIMK1 enzymology and their impact on inhibitor design
Salah E, Chatterjee D, Beltrami A, Tumber A, Preuss F, Canning P, Chaikuad A, Knaus P, Knapp S, Bullock AN, Mathea S
Biochemical Journal. 13.10.2019 476:3197-3209. doi: 10.1042/bcj20190517
PMID: 31652302

Discovery of first in vivo active inhibitors of soluble epoxide hydrolase (sEH) phosphatase domain.
Kramer JS, Woltersdorf S, Duflot T, Hiesinger K, Lillich FF, Knöll F, Wittmann SK, Klingler FM, Brunst S, Chaikuad A, Morisseau C, Hammock BD, Buccellati C, Sala A, Rovati GE, Leuillier M, Fraineau S, Rondeaux J, Hernandez Olmos V, Heering J, Merk D, Pogoryelov D, Steinhilber D, Knapp S, Bellien J, Proschak E
J. Med. Chem.. 22.8.2019 . doi: 10.1021/acs.jmedchem.9b00445
PMID: 31436984

High-Throughput Purification of Protein Kinases from Escherichia coli and Insect Cells.
Mathea S, Salah E, Knapp S
Methods Mol. Biol.. 4.7.2019 2025:191-202. doi: 10.1007/978-1-4939-9624-7_8
PMID: 31267453

Synthesis and structure-activity relationships of 3,5-disubstituted-pyrrolo[2,3- b]pyridines as inhibitors of adaptor associated kinase 1 (AAK1) with antiviral activity.
Verdonck S, Pu SY, Sorrell FJ, Elkins JM, Froeyen M, Gao LJ, Prugar LI, Dorosky DE, Brannan JM, Barouch-Bentov R, Knapp S, Dye JM, Herdewijn P, Einav S, De Jonghe S
J. Med. Chem.. 28.5.2019 . doi: 10.1021/acs.jmedchem.9b00136
PMID: 31136173

Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity
Verdonck S, Pu SY, Sorrell FJ, Elkins JM, Froeyen M, Gao LJ, Prugar LI, Dorosky DE, Brannan JM, Barouch-Bentov R, Knapp S, Dye JM, Herdewijn P, Einav S, De Jonghe S
Journal of Medicinal Chemistry. 12.06.2019 62:5810-5831. doi: 10.1021/acs.jmedchem.9b00136
PMID: 31136173

A chemical toolbox for the study of bromodomains and epigenetic signaling.
Wu Q, Heidenreich D, Zhou S, Ackloo S, Krämer A, Nakka K, Lima-Fernandes E, Deblois G, Duan S, Vellanki RN, Li F, Vedadi M, Dilworth J, Lupien M, Brennan PE, Arrowsmith CH, Müller S, Fedorov O, Filippakopoulos P, Knapp S
Nat Commun. 23.4.2019 10(1):1915. doi: 10.1038/s41467-019-09672-2
PMID: 31015424

Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Rao S, Gurbani D, Du G, Everley RA, Browne CM, Chaikuad A, Li T, Schröder M, Gondi S, Ficarro SB, Sim T, Kim ND, Berberich MJ, Knapp S, Marto JA, Westover KD, Sorger PK, Gray NS
Cell Chem Biol. 18.3.2019 . doi: 10.1016/j.chembiol.2019.02.021
PMID: 30982749

Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.
Watts E, Heidenreich D, Tucker E, Raab M, Strebhardt K, Chesler L, Knapp S, Bellenie B, Hoelder S
J. Med. Chem.. 21.2.2019 . doi: 10.1021/acs.jmedchem.8b01947
PMID: 30789735

SGC-GAK-1: a chemical probe for cyclin G associated kinase (GAK).
Asquith CRM, Berger BT, Wan J, Bennett JM, Capuzzi SJ, Crona DJ, Drewry D, East MP, Elkins JM, Fedorov O, Godoi PH, Hunter DM, Knapp S, Müller S, Torrice CD, Wells CI, Earp HS, Willson T, Zuercher W
J. Med. Chem.. 15.2.2019 . doi: 10.1021/acs.jmedchem.8b01213
PMID: 30768268

New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Tazarki H, Zeinyeh W, Esvan YJ, Knapp S, Chatterjee D, Schröder M, Joerger AC, Khiari J, Josselin B, Baratte B, Bach S, Ruchaud S, Anizon F, Giraud F, Moreau P
Eur J Med Chem. 26.1.2019 166:304-317. doi: 10.1016/j.ejmech.2019.01.052
PMID: 30731399

2018

An Activity-Based Probe Targeting Non-Catalytic, Highly Conserved Amino Acid Residues within Bromodomains.
D'Ascenzio M, Pugh KM, Konietzny R, Berridge G, Tallant C, Hashem S, Monteiro O, Thomas JR, Schirle M, Knapp S, Marsden B, Fedorov O, Bountra C, Kessler BM, Brennan PE
Angew. Chem. Int. Ed. Engl.. 27.12.2018 . doi: 10.1002/anie.201807825
PMID: 30589164

Single-Molecule Protein Phosphorylation and Dephosphorylation by Nanopore Enzymology.
Harrington L, Alexander LT, Knapp S, Bayley H
ACS Nano. 27.12.2018 . doi: 10.1021/acsnano.8b07697
PMID: 30588793

Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Němec V, Hylsová M, Maier L, Flegel J, Sievers S, Ziegler S, Schroeder M, Berger BT, Chaikuad A, Valčíková B, Uldrijan S, Drápela S, Souček K, Waldmann H, Knapp S, Paruch K
Angew. Chem. Int. Ed. Engl.. 20.12.2018 . doi: 10.1002/anie.201810312
PMID: 30569600

A structure-based approach towards identification of inhibitory fragments for eleven-nineteen-leukemia protein (ENL).
Heidenreich D, Moustakim M, Schmidt J, Merk D, Brennan PE, Fedorov O, Chaikuad A, Knapp S
J. Med. Chem.. 8.11.2018 . doi: 10.1021/acs.jmedchem.8b01457
PMID: 30407816

Binding Kinetics Survey of the Drugged Kinome.
Georgi V, Schiele F, Berger BT, Steffen A, Marin Zapata PA, Briem H, Menz S, Preuße C, Vasta JD, Robers MB, Brands M, Knapp S, Fernández-Montalván AE
J. Am. Chem. Soc.. 26.10.2018 . doi: 10.1021/jacs.8b08048
PMID: 30362749

Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase.
Juettner NE, Schmelz S, Kraemer A, Knapp S, Becker B, Kolmar H, Scrima A, Fuchsbauer HL
FEBS J.. 15.10.2018 . doi: 10.1111/febs.14678
PMID: 30318745

Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Moustakim M, Christott T, Monteiro OP, Bennett J, Giroud C, Ward J, Rogers CM, Smith P, Panagakou I, Saez LD, Felce SL, Gamble V, Gileadi C, Halidi N, Heidenreich D, Chaikuad A, Knapp S, Huber KVM, Farnie G, Heer J, Manevski N, Poda G, Al-Awar R, Dixon DJ, Fedorov O, Brennan P
Angew. Chem. Int. Ed. Engl.. 5.10.2018 . doi: 10.1002/anie.201810617
PMID: 30288907

BRAF/MAPK and GSK3 signaling converges to control MITF nuclear export.
Ngeow KC, Friedrichsen HJ, Li L, Zeng Z, Andrews S, Volpon L, Brunsdon H, Berridge G, Picaud S, Fischer R, Lisle R, Knapp S, Filippakopoulos P, Knowles H, Steingrímsson E, Borden KLB, Patton EE, Goding CR
Proc. Natl. Acad. Sci. U.S.A.. 27.8.2018 . doi: 10.1073/pnas.1810498115
PMID: 30150413

Targeting Pim Kinases and DAPK3 to Control Hypertension.
Carlson DA, Singer MR, Sutherland C, Redondo C, Alexander LT, Hughes PF, Knapp S, Gurley SB, Sparks MA, MacDonald JA, Haystead TAJ
Cell Chem Biol. 4.7.2018 . doi: 10.1016/j.chembiol.2018.06.006
PMID: 30033129

Chemoproteomics and Chemical Probes for Target Discovery.
Drewes G, Knapp S
Trends Biotechnol.. 12.7.2018 . doi: 10.1016/j.tibtech.2018.06.008
PMID: 30017093

Mammary molecular portraits reveal lineage-specific features and progenitor cell vulnerabilities.
Casey AE, Sinha A, Singhania R, Livingstone J, Waterhouse P, Tharmapalan P, Cruickshank J, Shehata M, Drysdale E, Fang H, Kim H, Isserlin R, Bailey S, Medina T, Deblois G, Shiah YJ, Barsyte-Lovejoy D, Hofer S, Bader G, Lupien M, Arrowsmith C, Knapp S, De Carvalho D, Berman H, Boutros PC, Kislinger T, Khokha R
J. Cell Biol.. 19.6.2018 . doi: 10.1083/jcb.201804042
PMID: 29921600

Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte Carlo.
Aldeghi M, Ross GA, Bodkin MJ, Essex JW, Knapp S, Biggin PC
Commun Chem. 5.4.2018 1:. doi: 10.1038/s42004-018-0019-x
PMID: 29863194

Development, Optimization and Structure-Activity Relationships of Covalent-Reversible JAK3 Inhibitors Based on a Tricyclic Imidazo[5,4-d]pyrrolo[2,3-b]pyridine Scaffold.
Forster M, Chaikuad A, Dimitrov T, Döring E, Holstein J, Berger BT, Gehringer M, Ghoreschi K, Müller S, Knapp S, Laufer SA
J. Med. Chem.. 31.5.2018 . doi: 10.1021/acs.jmedchem.8b00571
PMID: 29852068

Molecular structures of cdc2-like kinases in complex with a new inhibitor chemotype.
Walter A, Chaikuad A, Helmer R, Loaëc N, Preu L, Ott I, Knapp S, Meijer L, Kunick C
PLoS ONE. 4.5.2018 13(5):e0196761. doi: 10.1371/journal.pone.0196761
PMID: 29723265

Donated chemical probes for open science.
Müller S, Ackloo S, Arrowsmith CH, Bauser M, Baryza JL, Blagg J, Böttcher J, Bountra C, Brown PJ, Bunnage ME, Carter AJ, Damerell D, Dötsch V, Drewry DH, Edwards AM, Edwards J, Elkins JM, Fischer C, Frye SV, Gollner A, Grimshaw CE, IJzerman A, Hanke T, Hartung IV, Hitchcock S, Howe T, Hughes TV, Laufer S, Li VM, Liras S, Marsden BD, Matsui H, Mathias J, O'Hagan RC, Owen DR, Pande V, Rauh D, Rosenberg SH, Roth BL, Schneider NS, Scholten C, Singh Saikatendu K, Simeonov A, Takizawa M, Tse C, Thompson PR, Treiber DK, Viana AY, Wells CI, Willson TM, Zuercher WJ, Knapp S, Mueller-Fahrnow A
Elife. 20.4.2018 7:. doi: 10.7554/eLife.34311
PMID: 29676732

A Pseudo-Kinase Double Act.
Preuß F, Mathea S, Knapp S
Structure. 3.4.2018 26(4):527-528. doi: 10.1016/j.str.2018.03.008
PMID: 29617648

Halogen-aromatic π-interactions modulate inhibitor residence time.
Heroven C, Georgi V, Ganotra GK, Brennan PE, Wolfreys F, Wade RC, Fernández-Montalván AE, Chaikuad A, Knapp S
Angew. Chem. Int. Ed. Engl.. 30.3.2018 . doi: 10.1002/anie.201801666
PMID: 29601130

Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces.
Brennan P, Bowkett D, Talon R, Tallant C, Schofield C, Bruton G, von Delft F, Knapp S
ChemMedChem. 26.3.2018 . doi: 10.1002/cmdc.201800030
PMID: 29578648

Discovery of a novel allosteric inhibitor scaffold for polyadenosine-diphosphate-ribose polymerase 14 (PARP14) macrodomain 2.
Moustakim M, Riedel K, Schuller M, Gehring AP, Monteiro OP, Martin SP, Fedorov O, Heer J, Dixon DJ, Elkins JM, Knapp S, Bracher F, Brennan PE
Bioorg. Med. Chem.. 12.3.2018 . doi: 10.1016/j.bmc.2018.03.020
PMID: 29567296

Quantitative characterization of bivalent probes for a dual bromodomain protein, Transcription Initiation Factor TFIID subunit 1, TAF1.
Suh JL, Watts B, Stuckey JI, Norris-Drouin JL, Cholensky SH, Dickson BM, An Y, Mathea S, Salah E, Knapp S, Khan A, Adams AT, Strahl BD, Sagum CA, Bedford MT, James LI, Kireev DB, Frye SV
Biochemistry. 20.3.2018 . doi: 10.1021/acs.biochem.8b00150
PMID: 29558110

Oocyte DNA damage quality control requires consecutive interplay of CHK2 and CK1 to activate p63.
Tuppi M, Kehrloesser S, Coutandin DW, Rossi V, Luh LM, Strubel A, Hötte K, Hoffmeister M, Schäfer B, De Oliveira T, Greten F, Stelzer EHK, Knapp S, De Felici M, Behrends C, Klinger FG, Dötsch V
Nat. Struct. Mol. Biol.. 26.2.2018 . doi: 10.1038/s41594-018-0035-7
PMID: 29483652

Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation.
Zheng Y, Sethi R, Mangala LS, Taylor C, Goldsmith J, Wang M, Masuda K, Karaminejadranjbar M, Mannion D, Miranda F, Herrero-Gonzalez S, Hellner K, Chen F, Alsaadi A, Albukhari A, Fotso DC, Yau C, Jiang D, Pradeep S, Rodriguez-Aguayo C, Lopez-Berestein G, Knapp S, Gray NS, Campo L, Myers KA, Dhar S, Ferguson D, Bast RC, Sood AK, von Delft F, Ahmed AA
Nat Commun. 2.2.2018 9(1):476. doi: 10.1038/s41467-017-02811-7
PMID: 29396402

An AKAP-Lbc-RhoA interaction inhibitor promotes the translocation of aquaporin-2 to the plasma membrane of renal collecting duct principal cells.
Schrade K, Tröger J, Eldahshan A, Zühlke K, Abdul Azeez KR, Elkins JM, Neuenschwander M, Oder A, Elkewedi M, Jaksch S, Andrae K, Li J, Fernandes J, Müller PM, Grunwald S, Marino SF, Vukićević T, Eichhorst J, Wiesner B, Weber M, Kapiloff M, Rocks O, Daumke O, Wieland T, Knapp S, von Kries JP, Klussmann E
PLoS ONE. 27.1.2018 13(1):e0191423. doi: 10.1371/journal.pone.0191423
PMID: 29373579

2017

Quantitative, Wide-Spectrum Kinase Profiling in Live Cells for Assessing the Effect of Cellular ATP on Target Engagement.
Vasta JD, Corona CR, Wilkinson J, Zimprich CA, Hartnett JR, Ingold MR, Zimmerman K, Machleidt T, Kirkland TA, Huwiler KG, Ohana RF, Slater M, Otto P, Cong M, Wells CI, Berger BT, Hanke T, Glas C, Ding K, Drewry DH, Huber KVM, Willson TM, Knapp S, Müller S, Meisenheimer PL, Fan F, Wood KV, Robers MB
Cell Chem Biol. 13.11.2017 . doi: 10.1016/j.chembiol.2017.10.010
PMID: 29174542

Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
Shadrick WR, Slavish PJ, Chai SC, Waddell B, Connelly M, Low JA, Tallant C, Young BM, Bharatham N, Knapp S, Boyd VA, Morfouace M, Roussel MF, Chen T, Lee RE, Kiplin Guy R, Shelat AA, Potter PM
Bioorg. Med. Chem.. 4.11.2017 . doi: 10.1016/j.bmc.2017.10.042
PMID: 29170024

Discovery of a selective allosteric inhibitor targeting macrodomain 2 of poly-adenosine-diphosphate-ribose polymerases 14.
Schuller M, Riedel K, Gibbs-Seymour I, Uth K, Sieg C, Gehring AP, Ahel I, Bracher F, Kessler BM, Elkins JM, Knapp S
ACS Chem. Biol.. 9.10.2017 . doi: 10.1021/acschembio.7b00445
PMID: 28991428

Corrigendum: Alternative splicing promotes tumour aggressiveness and drug resistance in African American prostate cancer.
Wang BD, Ceniccola K, Hwang S, Andrawis R, Horvath A, Freedman JA, Olender J, Knapp S, Ching T, Garmire L, Patel V, Garcia-Blanco MA, Patierno SR, Lee NH
Nat Commun. 27.9.2017 8:16161. doi: 10.1038/ncomms16161
PMID: 28952599

Selective targeting of Bromodomains of the Bromodomain-PHD Fingers family impairs osteoclast differentiation.
Meier JC, Tallant C, Fedorov O, Witwicka H, Hwang SY, van Stiphout RG, Lambert JP, Rogers C, Yapp C, Gerstenberger BS, Fedele V, Savitsky P, Heidenreich D, Daniels DL, Owen DR, Fish PV, Igoe NM, Bayle ED, Haendler B, Oppermann UCT, Buffa F, Brennan PE, Müller S, Gingras AC, Odgren PR, Birnbaum MJ, Knapp S
ACS Chem. Biol.. 29.8.2017 . doi: 10.1021/acschembio.7b00481
PMID: 28849908

Characterization of a highly selective inhibitor of the Aurora kinases.
Ferguson FM, Doctor ZM, Chaikuad A, Sim T, Kim ND, Knapp S, Gray NS
Bioorg. Med. Chem. Lett.. 10.8.2017 . doi: 10.1016/j.bmcl.2017.08.016
PMID: 28818446

Progress towards a public chemogenomic set for protein kinases and a call for contributions.
Drewry DH, Wells CI, Andrews DM, Angell R, Al-Ali H, Axtman AD, Capuzzi SJ, Elkins JM, Ettmayer P, Frederiksen M, Gileadi O, Gray N, Hooper A, Knapp S, Laufer S, Luecking U, Michaelides M, Müller S, Muratov E, Denny RA, Saikatendu KS, Treiber DK, Zuercher WJ, Willson TM
PLoS ONE. 3.8.2017 12(8):e0181585. doi: 10.1371/journal.pone.0181585
PMID: 28767711

Design of a chemical probe for the Bromodomain and Plant Homeodomain Finger-containing (BRPF) family of proteins.
Igoe N, Bayle ED, Tallant C, Fedorov O, Meier JC, Savitsky P, Rogers C, Morias Y, Scholze S, Boyd H, Cunoosamy D, Andrews DM, Cheasty A, Brennan PE, Müller S, Knapp S, Fish PV
J. Med. Chem.. 17.7.2017 . doi: 10.1021/acs.jmedchem.7b00611
PMID: 28714688

NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Melo-Hanchuk TD, Slepicka PF, Meirelles GV, Basei FL, Lovato DV, Granato DC, Pauletti BA, Domingues RR, Leme AFP, Pelegrini AL, Lenz G, Knapp S, Elkins JM, Kobarg J
Sci Rep. 14.7.2017 7(1):5445. doi: 10.1038/s41598-017-05325-w
PMID: 28710492

Alternative splicing promotes tumour aggressiveness and drug resistance in African American prostate cancer.
Wang BD, Ceniccola K, Hwang S, Andrawis R, Horvath A, Freedman JA, Olender J, Knapp S, Ching T, Garmire L, Patel V, Garcia-Blanco MA, Patierno SR, Lee NH
Nat Commun. 30.6.2017 8:15921. doi: 10.1038/ncomms15921
PMID: 28665395

Structures of PGAM5 Provide Insight into Active Site Plasticity and Multimeric Assembly.
Chaikuad A, Filippakopoulos P, Marcsisin SR, Picaud S, Schröder M, Sekine S, Ichijo H, Engen JR, Takeda K, Knapp S
Structure. 10.6.2017 . doi: 10.1016/j.str.2017.05.020
PMID: 28648608

A specific and covalent JNK-1 ligand selected from an encoded self-assembling chemical library.
Zimmermann G, Rieder U, Bajic D, Vanetti S, Chaikuad A, Knapp S, Scheuermann J, Mattarella M, Neri D
Chemistry. 9.5.2017 . doi: 10.1002/chem.201701644
PMID: 28485044

In Vivo Biotinylation of Antigens in E. coli.
Gräslund S, Savitsky P, Müller-Knapp S
Methods Mol. Biol.. 5.5.2017 1586:337-344. doi: 10.1007/978-1-4939-6887-9_22
PMID: 28470616

Hyperactive locomotion in a Drosophila model is a functional readout for the synaptic abnormalities underlying fragile X syndrome.
Kashima R, Redmond PL, Ghatpande P, Roy S, Kornberg TB, Hanke T, Knapp S, Lagna G, Hata A
Sci Signal. 2.5.2017 10(477):. doi: 10.1126/scisignal.aai8133
PMID: 28465421

Thiazolidine derivatives as potent and selective inhibitors of the PIM kinase family.
Bataille CJ, Brennan MB, Byrne S, Davies SG, Durbin M, Fedorov O, Huber KV, Jones AM, Knapp S, Liu G, Nadali A, Quevedo CE, Russell AJ, Walker RG, Westwood R, Wynne GM
Bioorg. Med. Chem.. 28.2.2017 . doi: 10.1016/j.bmc.2017.02.056
PMID: 28341403

Development of potent, selective SRPK1 inhibitors as potential topical therapeutics for neovascular eye disease.
Batson J, Toop HD, Redondo C, Babaei-Jadidi R, Chaikuad A, Wearmouth SF, Gibbons B, Allen C, Tallant C, Zhang J, Du C, Hancox J, Hawtrey T, Da Rocha J, Griffith R, Knapp S, Bates DO, Morris JC
ACS Chem. Biol.. 30.1.2017 . doi: 10.1021/acschembio.6b01048
PMID: 28135068

Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies.
Igoe N, Bayle ED, Fedorov O, Tallant C, Savitsky P, Rogers C, Owen DR, Deb G, Somervaille TC, Andrews DM, Jones N, Cheasty A, Ryder H, Brennan PE, Müller S, Knapp S, Fish PV
J. Med. Chem.. 9.1.2017 . doi: 10.1021/acs.jmedchem.6b01583
PMID: 28068087

2016

Predictions of ligand selectivity from absolute binding free energy calculations.
Aldeghi M, Heifetz A, Bodkin MJ, Knapp S, Biggin PC
J. Am. Chem. Soc.. 23.12.2016 . doi: 10.1021/jacs.6b11467
PMID: 28009512

Identification of CLK1 Inhibitors by a Fragment-linking Based Virtual Screening.
Walter A, Chaikuad A, Loaëc N, Preu L, Knapp S, Meijer L, Kunick C, Koch O
Mol Inform. 21.12.2016 . doi: 10.1002/minf.201600123
PMID: 28000414

Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening.
Navratilova I, Aristotelous T, Picaud S, Chaikuad A, Knapp S, Filappakopoulos P, Hopkins AL
ACS Med Chem Lett. 8.12.2016 7(12):1213-1218. doi: 10.1021/acsmedchemlett.6b00154
PMID: 27994766

CBP/p300 Bromodomains Regulate Amyloid-like Protein Aggregation upon Aberrant Lysine Acetylation.
Olzscha H, Fedorov O, Kessler BM, Knapp S, La Thangue NB
Cell Chem Biol. 10.12.2016 . doi: 10.1016/j.chembiol.2016.11.009
PMID: 27989401

BRD4 promotes p63 and GRHL3 expression downstream of FOXO in mammary epithelial cells.
Nagarajan S, Bedi U, Budida A, Hamdan FH, Mishra VK, Najafova Z, Xie W, Alawi M, Indenbirken D, Knapp S, Chiang CM, Grundhoff A, Kari V, Scheel CH, Wegwitz F, Johnsen SA
Nucleic Acids Res.. 15.12.2016 . doi: 10.1093/nar/gkw1276
PMID: 27980063

Discovery of a PCAF Bromodomain Chemical Probe.
Moustakim M, Clark PG, Trulli L, Fuentes de Arriba AL, Ehebauer MT, Chaikuad A, Murphy EJ, Mendez-Johnson J, Daniels D, Hou CD, Lin YH, Walker JR, Hui R, Yang H, Dorrell L, Rogers CM, Monteiro OP, Fedorov O, Huber KV, Knapp S, Heer J, Dixon DJ, Brennan PE
Angew. Chem. Int. Ed. Engl.. 14.12.2016 . doi: 10.1002/anie.201610816
PMID: 27966810

Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.
Forster M, Chaikuad A, Bauer SM, Holstein J, Robers MB, Corona CR, Gehringer M, Pfaffenrot E, Ghoreschi K, Knapp S, Laufer SA
Cell Chem Biol. 7.11.2016 . doi: 10.1016/j.chembiol.2016.10.008
PMID: 27840070

Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Picaud S, Leonards K, Lambert JP, Dovey O, Wells C, Fedorov O, Monteiro O, Fujisawa T, Wang CY, Lingard H, Tallant C, Nikbin N, Guetzoyan L, Ingham R, Ley SV, Brennan P, Muller S, Samsonova A, Gingras AC, Schwaller J, Vassiliou G, Knapp S, Filippakopoulos P
Sci Adv. 21.10.2016 2(10):e1600760. doi: 10.1126/sciadv.1600760
PMID: 27757418

Mechanism of TAp73 inhibition by ΔNp63 and structural basis of p63/p73 hetero-tetramerization.
Gebel J, Luh LM, Coutandin D, Osterburg C, Löhr F, Schäfer B, Frombach AS, Sumyk M, Buchner L, Krojer T, Salah E, Mathea S, Güntert P, Knapp S, Dötsch V
Cell Death Differ.. 7.10.2016 . doi: 10.1038/cdd.2016.83
PMID: 27716744

Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors.
Popp TA, Tallant C, Rogers C, Fedorov O, Brennan PE, Müller S, Knapp S, Bracher F
J. Med. Chem.. 27.9.2016 . doi: 10.1021/acs.jmedchem.6b00774
PMID: 27673482

Discovery and optimization of a selective ligand for the Switch/Sucrose Non-Fermenting-related bromodomains of Polybromo protein-1 by the use of virtual screening and hydration analysis.
Myrianthopoulos V, Gaboriaud-Kolar N, Tallant C, Hall ML, Grigoriou S, Brownlee PM, Fedorov O, Rogers C, Heidenreich D, Wanior M, Drosos N, Mexia N, Savitsky P, Bagratuni T, Kastritis E, Terpos E, Filippakopoulos P, Müller S, Skaltsounis AL, Downs JA, Knapp S, Mikros E
J. Med. Chem.. 12.9.2016 . doi: 10.1021/acs.jmedchem.6b00355
PMID: 27617704

Salt-Inducible Kinase 2 Couples Ovarian Cancer Cell Metabolism with Survival at the Adipocyte-Rich Metastatic Niche.
Miranda F, Mannion D, Liu S, Zheng Y, Mangala LS, Redondo C, Herrero-Gonzalez S, Xu R, Taylor C, Chedom DF, Karaminejadranjbar M, Albukhari A, Jiang D, Pradeep S, Rodriguez-Aguayo C, Lopez-Berestein G, Salah E, Abdul Azeez KR, Elkins JM, Campo L, Myers KA, Klotz D, Bivona S, Dhar S, Bast RC, Saya H, Choi HG, Gray NS, Fischer R, Kessler BM, Yau C, Sood AK, Motohara T, Knapp S, Ahmed AA
Cancer Cell. 27.7.2016 . doi: 10.1016/j.ccell.2016.06.020
PMID: 27478041

Effect of BET Missense Mutations on Bromodomain Function, Inhibitor Binding and Stability.
Lori L, Pasquo A, Lori C, Petrosino M, Chiaraluce R, Tallant C, Knapp S, Consalvi V
PLoS ONE. 12.7.2016 11(7):e0159180. doi: 10.1371/journal.pone.0159180
PMID: 27403962

Cardiac myosin light chain is phosphorylated by Ca2+/calmodulin-dependent and -independent kinase activities.
Chang AN, Mahajan P, Knapp S, Barton H, Sweeney HL, Kamm KE, Stull JT
Proc. Natl. Acad. Sci. U.S.A.. 20.6.2016 . doi: 10.1073/pnas.1600633113
PMID: 27325775

BET inhibition as a new strategy for the treatment of gastric cancer.
Montenegro RC, Clark PG, Howarth A, Wan X, Ceroni A, Siejka P, Nunez-Alonso GA, Monteiro O, Rogers C, Gamble V, Burbano R, Brennan PE, Tallant C, Ebner D, Fedorov O, O'Neill E, Knapp S, Dixon D, Müller S
Oncotarget. 1.6.2016 . doi: 10.18632/oncotarget.9766
PMID: 27259267

Protein-protein interaction inhibition (2P2I)-oriented chemical library accelerates hit discovery.
Milhas S, Raux B, Betzi S, Derviaux C, Roche P, Restouin A, Basse MJ, Rebuffet E, Lugari A, Badol M, Kashyap R, Lissitzky JC, Eydoux C, Hamon V, Gourdel ME, Combes S, Zimmermann P, Aurrand-Lions M, Roux T, Rogers C, Müller S, Knapp S, Trinquet E, Collette Y, Guillemot JC, Morelli X
ACS Chem. Biol.. 24.5.2016 . doi: 10.1021/acschembio.6b00286
PMID: 27219844

Mapping the chemical chromatin reactivation landscape identifies BRD4-TAF1 cross-talk.
Sdelci S, Lardeau CH, Tallant C, Klepsch F, Klaiber B, Bennett J, Rathert P, Schuster M, Penz T, Fedorov O, Superti-Furga G, Bock C, Zuber J, Huber KV, Knapp S, Müller S, Kubicek S
Nat. Chem. Biol.. 9.5.2016 . doi: 10.1038/nchembio.2080
PMID: 27159579

Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors.
Lavogina D, Kestav K, Chaikuad A, Heroven C, Knapp S, Uri A
Acta Crystallogr F Struct Biol Commun. 1.5.2016 72(Pt 5):339-45. doi: 10.1107/S2053230X16004611
PMID: 27139824

Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Esvan YJ, Zeinyeh W, Boibessot T, Nauton L, Théry V, Knapp S, Chaikuad A, Loaëc N, Meijer L, Anizon F, Giraud F, Moreau P
Eur J Med Chem. 5.4.2016 118:170-177. doi: 10.1016/j.ejmech.2016.04.004
PMID: 27128181

Identification and development of 2,3-dihydropyrrolo[1,2-a]quinazolin-5(1H)-one inhibitors targeting bromodomains within the Switch/Sucrose Non-Fermenting complex.
Sutherell CL, Tallant C, Monteiro OP, Yapp C, Fuchs JE, Fedorov O, Siejka P, Müller S, Knapp S, Brenton JD, Brennan PE, Ley SV
J. Med. Chem.. 27.4.2016 . doi: 10.1021/acs.jmedchem.5b01997
PMID: 27119626

Identification of a chemical probe for family VIII bromodomains through optimization of a fragment hit.
Gerstenberger BS, Trzupek JD, Tallant C, Fedorov O, Filippakopoulos P, Brennan PE, Fedele V, Martin S, Picaud S, Rogers CM, Parikh MD, Taylor A, Samas BM, O'Mahony A, Berg EL, Pallares G, Torrey AV, Treiber DK, Samardjiev IJ, Nasipak BT, Padilla-Benavides T, Wu Q, Imbalzano AN, Nickerson JA, Bunnage ME, Müller S, Knapp S, Owen DR
J. Med. Chem.. 26.4.2016 . doi: 10.1021/acs.jmedchem.6b00012
PMID: 27115555

Quality control in oocytes by p63 is based on a spring-loaded activation mechanism on the molecular and cellular level.
Coutandin D, Osterburg C, Srivastav RK, Sumyk M, Kehrloesser S, Gebel J, Tuppi M, Hannewald J, Schäfer B, Salah E, Mathea S, Müller-Kuller U, Doutch J, Grez M, Knapp S, Dötsch V
Elife. 29.3.2016 5:. doi: 10.7554/eLife.13909
PMID: 27021569

Structure of the Human Protein Kinase ZAK in Complex with Vemurafenib.
Mathea S, Abdul Azeez KR, Salah E, Tallant C, Wolfreys F, Konietzny R, Fischer R, Lou HJ, Brennan PE, Schnapp G, Pautsch A, Kessler BM, Turk BE, Knapp S
ACS Chem. Biol.. 21.3.2016 . doi: 10.1021/acschembio.6b00043
PMID: 26999302

Citrullination-acetylation interplay guides E2F-1 activity during the inflammatory response.
Ghari F, Quirke AM, Munro S, Kawalkowska J, Picaud S, McGouran J, Subramanian V, Muth A, Williams R, Kessler B, Thompson PR, Fillipakopoulos P, Knapp S, Venables PJ, La Thangue NB
Sci Adv. 5.2.2016 2(2):e1501257. doi: 10.1126/sciadv.1501257
PMID: 26989780

The Intersection of Structural and Chemical Biology - An Essential Synergy.
Zuercher WJ, Elkins JM, Knapp S
Cell Chem Biol. 21.1.2016 23(1):173-82. doi: 10.1016/j.chembiol.2015.12.005
PMID: 26933743

Structure-based design of an in vivo active selective BRD9 inhibitor.
Martin LJ, Koegl M, Bader G, Cockcroft XL, Fedorov O, Fiegen D, Gerstberger T, Hofmann MH, Hohmann AF, Kessler D, Knapp S, Knesl P, Kornigg S, Müller S, Nar H, Rogers C, Rumpel K, Schaaf O, Steurer S, Tallant C, Vakoc CR, Zeeb M, Zoephel A, Pearson M, Boehmelt G, McConnell D
J. Med. Chem.. 25.2.2016 . doi: 10.1021/acs.jmedchem.5b01865
PMID: 26914985

Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Sorrell FJ, Szklarz M, Abdul Azeez KR, Elkins JM, Knapp S
Structure. 29.1.2016 . doi: 10.1016/j.str.2015.12.015
PMID: 26853940

Accurate calculation of the absolute free energy of binding for drug molecules.
Aldeghi M, Heifetz A, Bodkin MJ, Knapp S, Biggin PC
Chem Sci. 14.1.2016 7(1):207-218. doi: 10.1039/c5sc02678d
PMID: 26798447

Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins.
Raux B, Voitovich Y, Derviaux C, Lugari A, Rebuffet E, Milhas S, Priet S, Roux T, Trinquet E, Guillemot JC, Knapp S, Brunel JM, Fedorov AY, Collette Y, Roche P, Betzi S, Combes S, Morelli X
J. Med. Chem.. 6.1.2016 . doi: 10.1021/acs.jmedchem.5b01708
PMID: 26735842

Structure-based identification of inhibitory fragments targeting the p300/CBP-associated factor bromodomain.
Chaikuad A, Lang S, Brennan PE, Temperini C, Fedorov O, Hollander J, Nachane R, Abell C, Müller S, Siegal G, Knapp S
J. Med. Chem.. 5.1.2016 . doi: 10.1021/acs.jmedchem.5b01719
PMID: 26731131

2015

Selective targeting of the BRG/PB1 bromodomains impairs embryonic and trophoblast stem cell maintenance.
Fedorov O, Castex J, Tallant C, Owen DR, Martin S, Aldeghi M, Monteiro O, Filippakopoulos P, Picaud S, Trzupek JD, Gerstenberger BS, Bountra C, Willmann D, Wells C, Philpott M, Rogers C, Biggin PC, Brennan PE, Bunnage ME, Schüle R, Günther T, Knapp S, Müller S
Sci Adv. 13.11.2015 1(10):e1500723. doi: 10.1126/sciadv.1500723
PMID: 26702435

Generation of a selective small molecule inhibitor of the CBP/p300 bromodomain for leukemia therapy.
Picaud S, Fedorov O, Thanasopoulou A, Leonards K, Jones K, Meier J, Olzscha H, Monteiro O, Martin S, Philpott M, Tumber A, Filippakopoulos P, Yapp C, Wells C, Hing Che K, Bannister A, Robson S, Kumar U, Parr N, Lee K, Lugo D, Jeffrey P, Taylor S, Vecellio ML, Bountra C, Brennan P, O'Mahony A, Velichko S, Muller S, Hay D, Daniels DL, Urh M, La Thangue NB, Kouzarides T, Prinjha R, Schwaller J, Knapp S
Cancer Res.. 9.11.2015 . doi: 10.1158/0008-5472.CAN-15-0236
PMID: 26552700

Emerging Target Families: Intractable Targets.
Knapp S
Handb Exp Pharmacol. 10.11.2015 . doi: 10.1007/164_2015_28
PMID: 26552403

Comprehensive characterization of the Published Kinase Inhibitor Set.
Elkins JM, Fedele V, Szklarz M, Abdul Azeez KR, Salah E, Mikolajczyk J, Romanov S, Sepetov N, Huang XP, Roth BL, Al Haj Zen A, Fourches D, Muratov E, Tropsha A, Morris J, Teicher BA, Kunkel M, Polley E, Lackey KE, Atkinson FL, Overington JP, Bamborough P, Müller S, Price DJ, Willson TM, Drewry DH, Knapp S, Zuercher WJ
Nat. Biotechnol.. 26.10.2015 . doi: 10.1038/nbt.3374
PMID: 26501955

The ins and outs of selective kinase inhibitor development.
Müller S, Chaikuad A, Gray NS, Knapp S
Nat. Chem. Biol.. 20.10.2015 11(11):818-21. doi: 10.1038/nchembio.1938
PMID: 26485069

Atad2 is a generalist facilitator of chromatin dynamics in embryonic stem cells.
Morozumi Y, Boussouar F, Tan M, Chaikuad A, Jamshidikia M, Colak G, He H, Nie L, Petosa C, de Dieuleveult M, Curtet S, Vitte AL, Rabatel C, Debernardi A, Cosset FL, Verhoeyen E, Emadali A, Schweifer N, Gianni D, Gut M, Guardiola P, Rousseaux S, Gérard M, Knapp S, Zhao Y, Khochbin S
J Mol Cell Biol. 12.10.2015 . doi: 10.1093/jmcb/mjv060
PMID: 26459632

Overcoming ABCG2-mediated drug resistance with imidazo-[1,2-b]-pyridazine-based Pim1 kinase inhibitors.
Darby RA, Unsworth A, Knapp S, Kerr ID, Callaghan R
Cancer Chemother. Pharmacol.. 9.9.2015 76(4):853-64. doi: 10.1007/s00280-015-2858-9
PMID: 26351135

A core of kinase-regulated interactomes defines the neoplastic MDSC lineage.
Gato-Cañas M, Martinez de Morentin X, Blanco-Luquin I, Fernandez-Irigoyen J, Zudaire I, Liechtenstein T, Arasanz H, Lozano T, Casares N, Chaikuad A, Knapp S, Guerrero-Setas D, Escors D, Kochan G, Santamaría E
Oncotarget. 23.7.2015 . doi:
PMID: 26320174

Differential recognition preferences of the three Src homology 3 (SH3) domains from the adaptor CD2-associated protein (CD2AP), and direct association with Ras and Rab interactor 3 (RIN3).
Rouka E, Simister PC, Janning M, Kumbrink J, Konstantinou T, Muniz JR, Joshi D, O'Reilly N, Volkmer R, Ritter B, Knapp S, von Delft F, Kirsch KH, Feller SM
J. Biol. Chem.. 20.8.2015 . doi: 10.1074/jbc.M115.637207
PMID: 26296892

CBP30, a selective CBP/p300 bromodomain inhibitor, suppresses human Th17 responses.
Hammitzsch A, Tallant C, Fedorov O, O'Mahony A, Brennan PE, Hay DA, Martinez FO, Al-Mossawi MH, de Wit J, Vecellio M, Wells C, Wordsworth P, Müller S, Knapp S, Bowness P
Proc. Natl. Acad. Sci. U.S.A.. 10.8.2015 . doi: 10.1073/pnas.1501956112
PMID: 26261308

Probing the epigenome.
Huston A, Arrowsmith CH, Knapp S, Schapira M
Nat. Chem. Biol.. 21.7.2015 11(8):542-5. doi: 10.1038/nchembio.1871
PMID: 26196765

The promise and peril of chemical probes.
Arrowsmith CH, Audia JE, Austin C, Baell J, Bennett J, Blagg J, Bountra C, Brennan PE, Brown PJ, Bunnage ME, Buser-Doepner C, Campbell RM, Carter AJ, Cohen P, Copeland RA, Cravatt B, Dahlin JL, Dhanak D, Edwards AM, Frye SV, Gray N, Grimshaw CE, Hepworth D, Howe T, Huber KV, Jin J, Knapp S, Kotz JD, Kruger RG, Lowe D, Mader MM, Marsden B, Mueller-Fahrnow A, Müller S, O'Hagan RC, Overington JP, Owen DR, Rosenberg SH, Roth B, Ross R, Schapira M, Schreiber SL, Shoichet B, Sundström M, Superti-Furga G, Taunton J, Toledo-Sherman L, Walpole C, Walters MA, Willson TM, Workman P, Young RN, Zuercher WJ
Nat. Chem. Biol.. 21.7.2015 11(8):536-41. doi: 10.1038/nchembio.1867
PMID: 26196764

Type II inhibitors targeting CDK2.
Alexander LT, Moebitz H, Drueckes P, Savitsky P, Fedorov O, Elkins JM, Deane CM, Cowan-Jacob SW, Knapp S
ACS Chem. Biol.. 9.7.2015 . doi: 10.1021/acschembio.5b00398
PMID: 26158339

Pim Kinase Inhibitors Evaluated with a Single-Molecule Engineered Nanopore Sensor.
Harrington L, Alexander LT, Knapp S, Bayley H
Angew. Chem. Int. Ed. Engl.. 8.6.2015 . doi: 10.1002/anie.201503141
PMID: 26058458

Discovery of a Chemical Tool Inhibitor Targeting the Bromodomains of TRIM24 and BRPF.
Bennett JM, Fedorov O, Tallant C, Monteiro OP, Meier J, Gamble V, Savitski P, Nunez-Alonso GA, Haendler B, Rogers C, Brennan PE, Müller S, Knapp S
J. Med. Chem.. 14.5.2015 . doi: 10.1021/acs.jmedchem.5b00458
PMID: 25974391

LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor.
Clark PG, Vieira LC, Tallant C, Fedorov O, Singleton DC, Rogers CM, Monteiro OP, Bennett JM, Baronio R, Müller S, Daniels DL, Méndez J, Knapp S, Brennan PE, Dixon DJ
Angew. Chem. Int. Ed. Engl.. 13.4.2015 . doi: 10.1002/anie.201501394
PMID: 25864491

Perspective on Computational and Structural Aspects of Kinase Discovery from IPK2014.
Martin E, Knapp S, Engh RA, Moebitz H, Varin T, Roux B, Meiler J, Berdini V, Baumann A, Vieth M
Biochim. Biophys. Acta. 7.4.2015 . doi: 10.1016/j.bbapap.2015.03.014
PMID: 25861861

Selective inhibitors of Cyclin-G associated kinase (GAK) as anti-HCV agents.
Kovackova S, Chang L, Bekerman E, Neveu G, Barouch-Bentov R, Chaikuad A, Heroven C, Sala M, De Jonghe SC, Knapp S, Einav S, Herdewijn P
J. Med. Chem.. 30.3.2015 . doi: 10.1021/jm501759m
PMID: 25822739

Discovery and characterization of GSK2801, a selective chemical probe for the bromodomains BAZ2A and BAZ2B.
Chen P, Chaikuad A, Bamborough P, Bantscheff M, Bountra C, Chung CW, Fedorov O, Grandi P, Jung D, Lesniak R, Lindon M, Müller S, Philpott M, Prinjha RK, Rogers CM, Selenski C, Tallant C, Werner T, Willson TM, Knapp S, Drewry DH
J. Med. Chem.. 23.3.2015 . doi: 10.1021/acs.jmedchem.5b00209
PMID: 25799074

10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A.
Falke H, Chaikuad A, Becker A, Loaëc N, Lozach O, Abu Jhaisha S, Becker W, Jones PG, Preu L, Baumann K, Knapp S, Meijer L, Kunick C
J. Med. Chem.. 2.3.2015 . doi: 10.1021/jm501994d
PMID: 25730262

Preclinical target validation using patient-derived cells.
Edwards AM, Arrowsmith CH, Bountra C, Bunnage ME, Feldmann M, Knight JC, Patel DD, Prinos P, Taylor MD, Sundström M, Barker P, Barsyte D, Bengtson MH, Bell C, Bowness P, Boycott KM, Buser-Doepner C, Carpenter CL, Carr AJ, Clark K, Das AM, Dhanak D, Dirks P, Ellis J, Fantin VR, Flores C, Fon EA, Frail DE, Gileadi O, O'Hagan RC, Howe T, Isaac JT, Jabado N, Jakobsson PJ, Klareskog L, Knapp S, Lee WH, Lima-Fernandes E, Lundberg IE, Marshall J, Massirer KB, MacKenzie AE, Maruyama T, Mueller-Fahrnow A, Muthuswamy S, Nanchahal J, O'Brien C, Oppermann U, Ostermann N, Petrecca K, Pollock BG, Poupon V, Prinjha RK, Rosenberg SH, Rouleau G, Skingle M, Slutsky AS, Smith GA, Verhelle D, Widmer H, Young LT
Nat Rev Drug Discov. 20.2.2015 14(3):149-50. doi: 10.1038/nrd4565
PMID: 25722227

Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B.
Drouin L, McGrath S, Vidler LR, Chaikuad A, Monteiro O, Tallant C, Philpott M, Rogers C, Fedorov O, Liu M, Akhtar W, Hayes A, Raynaud F, Müller S, Knapp S, Hoelder S
J. Med. Chem.. 26.2.2015 . doi: 10.1021/jm501963e
PMID: 25719566

Bisubstrate Inhibitor Approach for Targeting Mitotic Kinase Haspin.
Kestav K, Lavogina D, Raidaru G, Chaikuad A, Knapp S, Uri A
Bioconjug. Chem.. 16.1.2015 . doi: 10.1021/bc500464r
PMID: 25595038

2014

Molecular Basis of Histone Tail Recognition by Human TIP5 PHD Finger and Bromodomain of the Chromatin Remodeling Complex NoRC.
Tallant C, Valentini E, Fedorov O, Overvoorde L, Ferguson FM, Filippakopoulos P, Svergun DI, Knapp S, Ciulli A
Structure. 18.12.2014 . doi: 10.1016/j.str.2014.10.017
PMID: 25533489

Crystal Structure of Sphingosine Kinase 1 with PF-543.
Wang J, Knapp S, Pyne NJ, Pyne S, Elkins JM
ACS Med Chem Lett. 11.12.2014 5(12):1329-33. doi: 10.1021/ml5004074
PMID: 25516793

Identification and Characterization of a Small-Molecule Inhibitor of Death-Associated Protein Kinase 1.
Wilbek TS, Skovgaard T, Sorrell FJ, Knapp S, Berthelsen J, Strømgaard K
Chembiochem. 7.11.2014 . doi: 10.1002/cbic.201402512
PMID: 25382253

Identification and structure-function analysis of sub-family selective G protein-coupled receptor kinase inhibitors.
Homan KT, Larimore KM, Elkins JM, Sklarz M, Knapp S, Tesmer JJ
ACS Chem. Biol.. 19.9.2014 . doi: 10.1021/cb5006323
PMID: 25238254

A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Chaikuad A, M C Tacconi E, Zimmer J, Liang Y, Gray NS, Tarsounas M, Knapp S
Nat. Chem. Biol.. 7.9.2014 . doi: 10.1038/nchembio.1629
PMID: 25195011

The Crystal Structure of the RhoA : AKAP-Lbc DH-PH Domain Complex.
Abdul Azeez KR, Knapp S, Fernandes JM, Klussmann E, Elkins JM
Biochem. J.. 4.9.2014 . doi: 10.1042/BJ20140606
PMID: 25186459

Recently targeted kinases and their inhibitors-the path to clinical trials.
Knapp S, Sundström M
Curr Opin Pharmacol. 8.8.2014 17C:58-63. doi: 10.1016/j.coph.2014.07.015
PMID: 25113945

Assessing cellular efficacy of bromodomain inhibitors using fluorescence recovery after photobleaching.
Philpott M, Rogers CM, Yapp C, Wells C, Lambert JP, Strain-Damerell C, Burgess-Brown NA, Gingras AC, Knapp S, Müller S
Epigenetics Chromatin. 13.7.2014 7:14. doi: 10.1186/1756-8935-7-14
PMID: 25097667

Corrigendum: Dual kinase-bromodomain inhibitors for rationally designed polypharmacology.
Ciceri P, Müller S, O'Mahony A, Fedorov O, Filippakopoulos P, Hunt JP, Lasater EA, Pallares G, Picaud S, Wells C, Martin S, Wodicka LM, Shah NP, Treiber DK, Knapp S
Nat. Chem. Biol.. 18.7.2014 10(8):692. doi:
PMID: 25036311

Bromodomain Protein BRD4 Is Required for Estrogen Receptor-Dependent Enhancer Activation and Gene Transcription.
Nagarajan S, Hossan T, Alawi M, Najafova Z, Indenbirken D, Bedi U, Taipaleenmäki H, Ben-Batalla I, Scheller M, Loges S, Knapp S, Hesse E, Chiang CM, Grundhoff A, Johnsen SA
Cell Rep. 9.7.2014 . doi: 10.1016/j.celrep.2014.06.016
PMID: 25017071

Discovery and Optimization of Small-Molecule Ligands for the CBP/p300 Bromodomains.
Hay DA, Fedorov O, Martin S, Singleton DC, Tallant C, Wells C, Picaud S, Philpott M, Monteiro OP, Rogers CM, Conway SJ, Rooney TP, Tumber A, Yapp C, Filippakopoulos P, Bunnage ME, Müller S, Knapp S, Schofield CJ, Brennan PE
J. Am. Chem. Soc.. 2.7.2014 136(26):9308-19. doi: 10.1021/ja412434f
PMID: 24946055

A Series of Potent CREBBP Bromodomain Ligands Reveals an Induced-Fit Pocket Stabilized by a Cation-π Interaction.
Rooney TP, Filippakopoulos P, Fedorov O, Picaud S, Cortopassi WA, Hay DA, Martin S, Tumber A, Rogers CM, Philpott M, Wang M, Thompson AL, Heightman TD, Pryde DC, Cook A, Paton RS, Müller S, Knapp S, Brennan PE, Conway SJ
Angew. Chem. Int. Ed. Engl.. 12.5.2014 . doi: 10.1002/anie.201402750
PMID: 24821300

Targeting bromodomains: epigenetic readers of lysine acetylation.
Filippakopoulos P, Knapp S
Nat Rev Drug Discov. 22.4.2014 13(5):337-56. doi: 10.1038/nrd4286
PMID: 24751816

Modulation of the chromatin phosphoproteome by the Haspin protein kinase.
Maiolica A, De Medina Redondo M, Schoof EM, Chaikuad A, Villa F, Gatti M, Jeganatgan S, Lou HJ, Novy K, Hauri S, Toprak UH, Herzog F, Meraldi P, Penengo L, Turk BE, Knapp S, Linding R, Aebersold R
Mol. Cell Proteomics. 14.4.2014 . doi: 10.1074/mcp.M113.034819
PMID: 24732914

Exploration of Type II Binding Mode: A Privileged Approach for Kinase Inhibitor Focused Drug Discovery?
Zhao Z, Wu H, Wang L, Liu Y, Knapp S, Liu Q, Gray NS
ACS Chem. Biol.. 29.4.2014 . doi: 10.1021/cb500129t
PMID: 24730530

Copper is required for oncogenic BRAF signalling and tumorigenesis.
Brady DC, Crowe MS, Turski ML, Hobbs GA, Yao X, Chaikuad A, Knapp S, Xiao K, Campbell SL, Thiele DJ, Counter CM
Nature. 9.4.2014 . doi: 10.1038/nature13180
PMID: 24717435

Stereospecific targeting of MTH1 by (S)-crizotinib as an anticancer strategy.
Huber KV, Salah E, Radic B, Gridling M, Elkins JM, Stukalov A, Jemth AS, Göktürk C, Sanjiv K, Strömberg K, Pham T, Berglund UW, Colinge J, Bennett KL, Loizou JI, Helleday T, Knapp S, Superti-Furga G
Nature. 10.4.2014 508(7495):222-7. doi: 10.1038/nature13194
PMID: 24695225

Novel approaches for targeting kinases: allosteric inhibition, allosteric activation and pseudokinases.
Cowan-Jacob SW, Jahnke W, Knapp S
Future Med Chem. 22.3.2014 6(5):541-61. doi: 10.4155/fmc.13.216
PMID: 24649957

Benzoselenadiazole-based responsive long-lifetime photoluminescent probes for protein kinases.
Ekambaram R, Enkvist E, Manoharan GB, Ugandi M, Kasari M, Viht K, Knapp S, Issinger OG, Uri A
Chem. Commun. (Camb.). 20.3.2014 50(31):4096-8. doi: 10.1039/c3cc49198f
PMID: 24619026

Dual kinase-bromodomain inhibitors for rationally designed polypharmacology.
Ciceri P, Müller S, O'Mahony A, Fedorov O, Filippakopoulos P, Hunt JP, Lasater EA, Pallares G, Picaud S, Wells C, Martin S, Wodicka LM, Shah NP, Treiber DK, Knapp S
Nat. Chem. Biol.. 2.3.2014 10(4):305-12. doi: 10.1038/nchembio.1471
PMID: 24584101

Structure of Cyclin G associated kinase (GAK) Trapped in different Conformations using Nanobodies.
Chaikuad A, Keates T, Vincke C, Kaufholz M, Zenn M, Zimmermann B, Gutiérrez C, Zhang RG, Hatzos-Skintges C, Joachimiak A, Muyldermans S, Herberg FW, Knapp S, Müller S
Biochem. J.. 17.1.2014 . doi: 10.1042/BJ20131399
PMID: 24438162

2006

High-throughput structural characterisation of therapeutic protein targets.
Marsden BD, Sundstrom M, Knapp S
Expert Opin Drug Discov. 1.7.2006 1(2):123-36. doi: 10.1517/17460441.1.2.123
PMID: 23495796

MAPK-specific tyrosine phosphatases: new targets for drug discovery?
Barr AJ, Knapp S
Trends Pharmacol. Sci.. 21.8.2006 27(10):525-30. doi: 10.1016/j.tips.2006.08.005
PMID: 16919785

The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs.
Kavanagh KL, Guo K, Dunford JE, Wu X, Knapp S, Ebetino FH, Rogers MJ, Russell RG, Oppermann U
Proc. Natl. Acad. Sci. U.S.A.. 16.5.2006 103(20):7829-34. doi: 10.1073/pnas.0601643103
PMID: 16684881

Crystal structure of the SOCS2-elongin C-elongin B complex defines a prototypical SOCS box ubiquitin ligase.
Bullock AN, Debreczeni JE, Edwards AM, Sundström M, Knapp S
Proc. Natl. Acad. Sci. U.S.A.. 16.5.2006 103(20):7637-42. doi: 10.1073/pnas.0601638103
PMID: 16675548

The crystal structure of human receptor protein tyrosine phosphatase kappa phosphatase domain 1.
Eswaran J, Debreczeni JE, Longman E, Barr AJ, Knapp S
Protein Sci.. 2.5.2006 15(6):1500-5. doi: 10.1110/ps.062128706
PMID: 16672235

Inhibition of protein-protein interactions: the discovery of druglike beta-catenin inhibitors by combining virtual and biophysical screening.
Trosset JY, Dalvit C, Knapp S, Fasolini M, Veronesi M, Mantegani S, Gianellini LM, Catana C, Sundström M, Stouten PF, Moll JK
Proteins. 1.7.2006 64(1):60-7. doi: 10.1002/prot.20955
PMID: 16568448

Crystal structure of human protein tyrosine phosphatase 14 (PTPN14) at 1.65-A resolution.
Barr AJ, Debreczeni JE, Eswaran J, Knapp S
Proteins. 1.6.2006 63(4):1132-6. doi: 10.1002/prot.20958
PMID: 16534812

Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases.
Eswaran J, von Kries JP, Marsden B, Longman E, Debreczeni JE, Ugochukwu E, Turnbull A, Lee WH, Knapp S, Barr AJ
Biochem. J.. 1.5.2006 395(3):483-91. doi: 10.1042/BJ20051931
PMID: 16441242

Ruthenium half-sandwich complexes bound to protein kinase Pim-1.
Debreczeni JE, Bullock AN, Atilla GE, Williams DS, Bregman H, Knapp S, Meggers E
Angew. Chem. Int. Ed. Engl.. 27.2.2006 45(10):1580-5. doi: 10.1002/anie.200503468
PMID: 16381041

2012

A public-private partnership to unlock the untargeted kinome.
Knapp S, Arruda P, Blagg J, Burley S, Drewry DH, Edwards A, Fabbro D, Gillespie P, Gray NS, Kuster B, Lackey KE, Mazzafera P, Tomkinson NC, Willson TM, Workman P, Zuercher WJ
Nat. Chem. Biol.. 15.12.2012 9(1):3-6. doi: 10.1038/nchembio.1113
PMID: 23238671

Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
Fish PV, Filippakopoulos P, Bish G, Brennan PE, Bunnage ME, Cook AS, Federov O, Gerstenberger BS, Jones H, Knapp S, Marsden B, Nocka K, Owen DR, Philpott M, Picaud S, Primiano MJ, Ralph MJ, Sciammetta N, Trzupek JD
J. Med. Chem.. 26.11.2012 55(22):9831-7. doi: 10.1021/jm3010515
PMID: 23095041

Bromodomain-containing Protein 4 (BRD4) Regulates RNA Polymerase II Serine 2 Phosphorylation in Human CD4+ T Cells.
Zhang W, Prakash C, Sum C, Gong Y, Li Y, Kwok JJ, Thiessen N, Pettersson S, Jones SJ, Knapp S, Yang H, Chin KC
J. Biol. Chem.. 14.12.2012 287(51):43137-55. doi: 10.1074/jbc.M112.413047
PMID: 23086925

A small-molecule inhibitor of Haspin alters the kinetochore functions of Aurora B.
De Antoni A, Maffini S, Knapp S, Musacchio A, Santaguida S
J. Cell Biol.. 15.10.2012 199(2):269-84. doi: 10.1083/jcb.201205119
PMID: 23071153

Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B.
Tahtouh T, Elkins JM, Filippakopoulos P, Soundararajan M, Burgy G, Durieu E, Cochet C, Schmid RS, Lo DC, Delhommel F, Oberholzer AE, Pearl LH, Carreaux F, Bazureau JP, Knapp S, Meijer L
J. Med. Chem.. 8.11.2012 55(21):9312-30. doi: 10.1021/jm301034u
PMID: 22998443

Structure of the bone morphogenetic protein receptor ALK2 and implications for fibrodysplasia ossificans progressiva.
Chaikuad A, Alfano I, Kerr G, Sanvitale CE, Boergermann JH, Triffitt JT, von Delft F, Knapp S, Knaus P, Bullock AN
J. Biol. Chem.. 26.10.2012 287(44):36990-8. doi: 10.1074/jbc.M112.365932
PMID: 22977237

Progress in the Development and Application of Small Molecule Inhibitors of Bromodomain-Acetyl-lysine Interactions.
Hewings DS, Rooney TP, Jennings LE, Hay DA, Schofield CJ, Brennan PE, Knapp S, Conway SJ
J. Med. Chem.. 26.11.2012 55(22):9393-413. doi: 10.1021/jm300915b
PMID: 22924434

Crystal structure of human aurora B in complex with INCENP and VX-680.
Elkins JM, Santaguida S, Musacchio A, Knapp S
J. Med. Chem.. 13.9.2012 55(17):7841-8. doi: 10.1021/jm3008954
PMID: 22920039

Fragment screening of cyclin G-associated kinase by weak affinity chromatography.
Meiby E, Knapp S, Elkins JM, Ohlson S
Anal Bioanal Chem. 24.8.2012 404(8):2417-25. doi: 10.1007/s00216-012-6335-6
PMID: 22918538

Small-molecule inhibition of BRDT for male contraception.
Matzuk MM, McKeown MR, Filippakopoulos P, Li Q, Ma L, Agno JE, Lemieux ME, Picaud S, Yu RN, Qi J, Knapp S, Bradner JE
Cell. 17.8.2012 150(4):673-84. doi: 10.1016/j.cell.2012.06.045
PMID: 22901802

Druggability analysis and structural classification of bromodomain acetyl-lysine binding sites.
Vidler LR, Brown N, Knapp S, Hoelder S
J. Med. Chem.. 13.9.2012 55(17):7346-59. doi: 10.1021/jm300346w
PMID: 22788793

Pharmacological inhibition of LIM kinase stabilizes microtubules and inhibits neoplastic growth.
Prudent R, Vassal-Stermann E, Nguyen CH, Pillet C, Martinez A, Prunier C, Barette C, Soleilhac E, Filhol O, Beghin A, Valdameri G, Honoré S, Aci-Sèche S, Grierson D, Antonipillai J, Li R, Di Pietro A, Dumontet C, Braguer D, Florent JC, Knapp S, Bernard O, Lafanechère L
Cancer Res.. 1.9.2012 72(17):4429-39. doi: 10.1158/0008-5472.CAN-11-3342
PMID: 22761334

The bromodomain interaction module.
Filippakopoulos P, Knapp S
FEBS Lett.. 14.8.2012 586(17):2692-704. doi: 10.1016/j.febslet.2012.04.045
PMID: 22710155

Rapid determination of multiple linear kinase substrate motifs by mass spectrometry.
Kettenbach AN, Wang T, Faherty BK, Madden DR, Knapp S, Bailey-Kellogg C, Gerber SA
Chem. Biol.. 25.5.2012 19(5):608-18. doi: 10.1016/j.chembiol.2012.04.011
PMID: 22633412

Small-molecule inhibitors of the c-Fes protein-tyrosine kinase.
Hellwig S, Miduturu CV, Kanda S, Zhang J, Filippakopoulos P, Salah E, Deng X, Choi HG, Zhou W, Hur W, Knapp S, Gray NS, Smithgall TE
Chem. Biol.. 20.4.2012 19(4):529-40. doi: 10.1016/j.chembiol.2012.01.020
PMID: 22520759

Histone recognition and large-scale structural analysis of the human bromodomain family.
Filippakopoulos P, Picaud S, Mangos M, Keates T, Lambert JP, Barsyte-Lovejoy D, Felletar I, Volkmer R, Müller S, Pawson T, Gingras AC, Arrowsmith CH, Knapp S
Cell. 30.3.2012 149(1):214-31. doi: 10.1016/j.cell.2012.02.013
PMID: 22464331

Structural stability of human protein tyrosine phosphatase ρ catalytic domain: effect of point mutations.
Pasquo A, Consalvi V, Knapp S, Alfano I, Ardini M, Stefanini S, Chiaraluce R
PLoS ONE. 28.2.2012 7(2):e32555. doi: 10.1371/journal.pone.0032555
PMID: 22389709

The p53 cofactor Strap exhibits an unexpected TPR motif and oligonucleotide-binding (OB)-fold structure.
Adams CJ, Pike AC, Maniam S, Sharpe TD, Coutts AS, Knapp S, La Thangue NB, Bullock AN
Proc. Natl. Acad. Sci. U.S.A.. 6.3.2012 109(10):3778-83. doi: 10.1073/pnas.1113731109
PMID: 22362889

Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family.
Filippakopoulos P, Picaud S, Fedorov O, Keller M, Wrobel M, Morgenstern O, Bracher F, Knapp S
Bioorg. Med. Chem.. 15.3.2012 20(6):1878-86. doi: 10.1016/j.bmc.2011.10.080
PMID: 22137933

7,8-dichloro-1-oxo-β-carbolines as a versatile scaffold for the development of potent and selective kinase inhibitors with unusual binding modes.
Huber K, Brault L, Fedorov O, Gasser C, Filippakopoulos P, Bullock AN, Fabbro D, Trappe J, Schwaller J, Knapp S, Bracher F
J. Med. Chem.. 12.1.2012 55(1):403-13. doi: 10.1021/jm201286z
PMID: 22136433

2010

Targeting kinases for the treatment of inflammatory diseases.
Müller S, Knapp S
Expert Opin Drug Discov. 15.7.2010 5(9):867-81. doi: 10.1517/17460441.2010.504203
PMID: 22823261

Selective inhibition of BET bromodomains.
Filippakopoulos P, Qi J, Picaud S, Shen Y, Smith WB, Fedorov O, Morse EM, Keates T, Hickman TT, Felletar I, Philpott M, Munro S, McKeown MR, Wang Y, Christie AL, West N, Cameron MJ, Schwartz B, Heightman TD, La Thangue N, French CA, Wiest O, Kung AL, Knapp S, Bradner JE
Nature. 23.12.2010 468(7327):1067-73. doi: 10.1038/nature09504
PMID: 20871596

Structural genomics of histone tail recognition.
Wang M, Mok MW, Harper H, Lee WH, Min J, Knapp S, Oppermann U, Marsden B, Schapira M
Bioinformatics. 15.10.2010 26(20):2629-30. doi: 10.1093/bioinformatics/btq491
PMID: 20739309

Structural comparison of human mammalian ste20-like kinases.
Record CJ, Chaikuad A, Rellos P, Das S, Pike AC, Fedorov O, Marsden BD, Knapp S, Lee WH
PLoS ONE. 6.8.2010 5(8):e11905. doi: 10.1371/journal.pone.0011905
PMID: 20730082

Structure of the CaMKIIdelta/calmodulin complex reveals the molecular mechanism of CaMKII kinase activation.
Rellos P, Pike AC, Niesen FH, Salah E, Lee WH, von Delft F, Knapp S
PLoS Biol.. 27.7.2010 8(7):e1000426. doi: 10.1371/journal.pbio.1000426
PMID: 20668654

New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights.
López-Ramos M, Prudent R, Moucadel V, Sautel CF, Barette C, Lafanechère L, Mouawad L, Grierson D, Schmidt F, Florent JC, Filippakopoulos P, Bullock AN, Knapp S, Reiser JB, Cochet C
FASEB J.. 16.4.2010 24(9):3171-85. doi: 10.1096/fj.09-143743
PMID: 20400536

Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Kwiatkowski N, Jelluma N, Filippakopoulos P, Soundararajan M, Manak MS, Kwon M, Choi HG, Sim T, Deveraux QL, Rottmann S, Pellman D, Shah JV, Kops GJ, Knapp S, Gray NS
Nat. Chem. Biol.. 11.4.2010 6(5):359-68. doi: 10.1038/nchembio.345
PMID: 20383151

The (un)targeted cancer kinome.
Fedorov O, Müller S, Knapp S
Nat. Chem. Biol.. 16.2.2010 6(3):166-169. doi: 10.1038/nchembio.297
PMID: 20154661

PIM serine/threonine kinases in the pathogenesis and therapy of hematologic malignancies and solid cancers.
Brault L, Gasser C, Bracher F, Huber K, Knapp S, Schwaller J
Haematologica. 9.2.2010 95(6):1004-15. doi: 10.3324/haematol.2009.017079
PMID: 20145274

2011

Analysis of conditions affecting auto-phosphorylation of human kinases during expression in bacteria.
Shrestha A, Hamilton G, O'Neill E, Knapp S, Elkins JM
Protein Expr. Purif.. 1.10.2011 81(1):136-43. doi: 10.1016/j.pep.2011.09.012
PMID: 21985771

Kinase inhibitor selectivity profiling using differential scanning fluorimetry.
Fedorov O, Niesen FH, Knapp S
Methods Mol. Biol.. 1.10.2011 795:109-18. doi: 10.1007/978-1-61779-337-0_7
PMID: 21960218

Bromodomains as therapeutic targets.
Muller S, Filippakopoulos P, Knapp S
Expert Rev Mol Med. 22.9.2011 13:e29. doi: 10.1017/S1462399411001992
PMID: 21933453

3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands.
Hewings DS, Wang M, Philpott M, Fedorov O, Uttarkar S, Filippakopoulos P, Picaud S, Vuppusetty C, Marsden B, Knapp S, Conway SJ, Heightman TD
J. Med. Chem.. 13.10.2011 54(19):6761-70. doi: 10.1021/jm200640v
PMID: 21851057

Bromodomain-peptide displacement assays for interactome mapping and inhibitor discovery.
Philpott M, Yang J, Tumber T, Fedorov O, Uttarkar S, Filippakopoulos P, Picaud S, Keates T, Felletar I, Ciulli A, Knapp S, Heightman TD
Mol Biosyst. 1.10.2011 7(10):2899-908. doi: 10.1039/c1mb05099k
PMID: 21804994

High-throughput kinase profiling: a more efficient approach toward the discovery of new kinase inhibitors.
Miduturu CV, Deng X, Kwiatkowski N, Yang W, Brault L, Filippakopoulos P, Chung E, Yang Q, Schwaller J, Knapp S, King RW, Lee JD, Herrgard S, Zarrinkar P, Gray NS
Chem. Biol.. 29.7.2011 18(7):868-79. doi: 10.1016/j.chembiol.2011.05.010
PMID: 21802008

Leucettines, a class of potent inhibitors of cdc2-like kinases and dual specificity, tyrosine phosphorylation regulated kinases derived from the marine sponge leucettamine B: modulation of alternative pre-RNA splicing.
Debdab M, Carreaux F, Renault S, Soundararajan M, Fedorov O, Filippakopoulos P, Lozach O, Babault L, Tahtouh T, Baratte B, Ogawa Y, Hagiwara M, Eisenreich A, Rauch U, Knapp S, Meijer L, Bazureau JP
J. Med. Chem.. 23.6.2011 54(12):4172-86. doi: 10.1021/jm200274d
PMID: 21615147

Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.
Feng L, Geisselbrecht Y, Blanck S, Wilbuer A, Atilla-Gokcumen GE, Filippakopoulos P, Kräling K, Celik MA, Harms K, Maksimoska J, Marmorstein R, Frenking G, Knapp S, Essen LO, Meggers E
J. Am. Chem. Soc.. 20.4.2011 133(15):5976-86. doi: 10.1021/ja1112996
PMID: 21446733

Structural basis of fumarate hydratase deficiency.
Picaud S, Kavanagh KL, Yue WW, Lee WH, Muller-Knapp S, Gileadi O, Sacchettini J, Oppermann U
J. Inherit. Metab. Dis.. 29.3.2011 34(3):671-6. doi: 10.1007/s10545-011-9294-8
PMID: 21445611

DNA damage in oocytes induces a switch of the quality control factor TAp63α from dimer to tetramer.
Deutsch GB, Zielonka EM, Coutandin D, Weber TA, Schäfer B, Hannewald J, Luh LM, Durst FG, Ibrahim M, Hoffmann J, Niesen FH, Sentürk A, Kunkel H, Brutschy B, Schleiff E, Knapp S, Acker-Palmer A, Grez M, McKeon F, Dötsch V
Cell. 18.2.2011 144(4):566-76. doi: 10.1016/j.cell.2011.01.013
PMID: 21335238

Specific CLK inhibitors from a novel chemotype for regulation of alternative splicing.
Fedorov O, Huber K, Eisenreich A, Filippakopoulos P, King O, Bullock AN, Szklarczyk D, Jensen LJ, Fabbro D, Trappe J, Rauch U, Bracher F, Knapp S
Chem. Biol.. 28.1.2011 18(1):67-76. doi: 10.1016/j.chembiol.2010.11.009
PMID: 21276940

Structural basis for c-KIT inhibition by the suppressor of cytokine signaling 6 (SOCS6) ubiquitin ligase.
Zadjali F, Pike AC, Vesterlund M, Sun J, Wu C, Li SS, Rönnstrand L, Knapp S, Bullock AN, Flores-Morales A
J. Biol. Chem.. 7.1.2011 286(1):480-90. doi: 10.1074/jbc.M110.173526
PMID: 21030588

2009

SH2 domains: modulators of nonreceptor tyrosine kinase activity.
Filippakopoulos P, Müller S, Knapp S
Curr. Opin. Struct. Biol.. 18.11.2009 19(6):643-9. doi: 10.1016/j.sbi.2009.10.001
PMID: 19926274

Structure and functional characterization of the atypical human kinase haspin.
Eswaran J, Patnaik D, Filippakopoulos P, Wang F, Stein RL, Murray JW, Higgins JM, Knapp S
Proc. Natl. Acad. Sci. U.S.A.. 1.12.2009 106(48):20198-203. doi: 10.1073/pnas.0901989106
PMID: 19918057

Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor.
Bullock AN, Russo S, Amos A, Pagano N, Bregman H, Debreczeni JE, Lee WH, von Delft F, Meggers E, Knapp S
PLoS ONE. 20.10.2009 4(10):e7112. doi: 10.1371/journal.pone.0007112
PMID: 19841674

Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new Pim kinase inhibitors.
Akué-Gédu R, Rossignol E, Azzaro S, Knapp S, Filippakopoulos P, Bullock AN, Bain J, Cohen P, Prudhomme M, Anizon F, Moreau P
J. Med. Chem.. 22.10.2009 52(20):6369-81. doi: 10.1021/jm901018f
PMID: 19788246

Conformational stability and activity of p73 require a second helix in the tetramerization domain.
Coutandin D, Löhr F, Niesen FH, Ikeya T, Weber TA, Schäfer B, Zielonka EM, Bullock AN, Yang A, Güntert P, Knapp S, McKeon F, Ou HD, Dötsch V
Cell Death Differ.. 18.9.2009 16(12):1582-9. doi: 10.1038/cdd.2009.139
PMID: 19763140

Dissection of PIM serine/threonine kinases in FLT3-ITD-induced leukemogenesis reveals PIM1 as regulator of CXCL12-CXCR4-mediated homing and migration.
Grundler R, Brault L, Gasser C, Bullock AN, Dechow T, Woetzel S, Pogacic V, Villa A, Ehret S, Berridge G, Spoo A, Dierks C, Biondi A, Knapp S, Duyster J, Schwaller J
J. Exp. Med.. 31.8.2009 206(9):1957-70. doi: 10.1084/jem.20082074
PMID: 19687226

Propionate analogues of zearalenone bind to Hsp90.
Ugele M, Sasse F, Knapp S, Fedorov O, Zubriene A, Matulis D, Maier ME
Chembiochem. 4.9.2009 10(13):2203-12. doi: 10.1002/cbic.200900109
PMID: 19637143

Structural determinants of G-protein alpha subunit selectivity by regulator of G-protein signaling 2 (RGS2).
Kimple AJ, Soundararajan M, Hutsell SQ, Roos AK, Urban DJ, Setola V, Temple BR, Roth BL, Knapp S, Willard FS, Siderovski DP
J. Biol. Chem.. 17.7.2009 284(29):19402-11. doi: 10.1074/jbc.M109.024711
PMID: 19478087

Girls homozygous for an IL-2-inducible T cell kinase mutation that leads to protein deficiency develop fatal EBV-associated lymphoproliferation.
Huck K, Feyen O, Niehues T, Rüschendorf F, Hübner N, Laws HJ, Telieps T, Knapp S, Wacker HH, Meindl A, Jumaa H, Borkhardt A
J. Clin. Invest.. 9.5.2009 119(5):1350-8. doi: 10.1172/JCI37901
PMID: 19425169

HD-PTP is a catalytically inactive tyrosine phosphatase due to a conserved divergence in its phosphatase domain.
Gingras MC, Zhang YL, Kharitidi D, Barr AJ, Knapp S, Tremblay ML, Pause A
PLoS ONE. 2.4.2009 4(4):e5105. doi: 10.1371/journal.pone.0005105
PMID: 19340315

Structure of dystrophia myotonica protein kinase.
Elkins JM, Amos A, Niesen FH, Pike AC, Fedorov O, Knapp S
Protein Sci.. 25.3.2009 18(4):782-91. doi: 10.1002/pro.82
PMID: 19309729

Kinase domain insertions define distinct roles of CLK kinases in SR protein phosphorylation.
Bullock AN, Das S, Debreczeni JE, Rellos P, Fedorov O, Niesen FH, Guo K, Papagrigoriou E, Amos AL, Cho S, Turk BE, Ghosh G, Knapp S
Structure. 11.3.2009 17(3):352-62. doi: 10.1016/j.str.2008.12.023
PMID: 19278650

Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Barr AJ, Ugochukwu E, Lee WH, King ON, Filippakopoulos P, Alfano I, Savitsky P, Burgess-Brown NA, Müller S, Knapp S
Cell. 23.1.2009 136(2):352-63. doi: 10.1016/j.cell.2008.11.038
PMID: 19167335

Targeting group II PAKs in cancer and metastasis.
Eswaran J, Soundararajan M, Knapp S
Cancer Metastasis Rev.. 23.1.2009 28(1-2):209-17. doi: 10.1007/s10555-008-9181-4
PMID: 19160016

Discovery of a potent and selective inhibitor for human carbonyl reductase 1 from propionate scanning applied to the macrolide zearalenone.
Zimmermann TJ, Niesen FH, Pilka ES, Knapp S, Oppermann U, Maier ME
Bioorg. Med. Chem.. 15.1.2009 17(2):530-6. doi: 10.1016/j.bmc.2008.11.076
PMID: 19097799

2008

Extremely tight binding of a ruthenium complex to glycogen synthase kinase 3.
Atilla-Gokcumen GE, Pagano N, Streu C, Maksimoska J, Filippakopoulos P, Knapp S, Meggers E
Chembiochem. 15.12.2008 9(18):2933-6. doi: 10.1002/cbic.200800489
PMID: 19035373

Structural coupling of SH2-kinase domains links Fes and Abl substrate recognition and kinase activation.
Filippakopoulos P, Kofler M, Hantschel O, Gish GD, Grebien F, Salah E, Neudecker P, Kay LE, Turk BE, Superti-Furga G, Pawson T, Knapp S
Cell. 5.9.2008 134(5):793-803. doi: 10.1016/j.cell.2008.07.047
PMID: 18775312

Linear motif atlas for phosphorylation-dependent signaling.
Miller ML, Jensen LJ, Diella F, Jørgensen C, Tinti M, Li L, Hsiung M, Parker SA, Bordeaux J, Sicheritz-Ponten T, Olhovsky M, Pasculescu A, Alexander J, Knapp S, Blom N, Bork P, Li S, Cesareni G, Pawson T, Turk BE, Yaffe MB, Brunak S, Linding R
Sci Signal. 4.9.2008 1(35):ra2. doi: 10.1126/scisignal.1159433
PMID: 18765831

UnPAKing the class differences among p21-activated kinases.
Eswaran J, Soundararajan M, Kumar R, Knapp S
Trends Biochem. Sci.. 17.7.2008 33(8):394-403. doi: 10.1016/j.tibs.2008.06.002
PMID: 18639460

Thermal unfolding of the archaeal DNA and RNA binding protein Ssh10.
Wu X, Oppermann M, Berndt KD, Bergman T, Jörnvall H, Knapp S, Oppermann U
Biochem. Biophys. Res. Commun.. 5.9.2008 373(4):482-7. doi: 10.1016/j.bbrc.2008.06.030
PMID: 18571501

The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation.
Baumli S, Lolli G, Lowe ED, Troiani S, Rusconi L, Bullock AN, Debreczeni JE, Knapp S, Johnson LN
EMBO J.. 9.7.2008 27(13):1907-18. doi: 10.1038/emboj.2008.121
PMID: 18566585

Similar biological activities of two isostructural ruthenium and osmium complexes.
Maksimoska J, Williams DS, Atilla-Gokcumen GE, Smalley KS, Carroll PJ, Webster RD, Filippakopoulos P, Knapp S, Herlyn M, Meggers E
Chemistry. 22.4.2008 14(16):4816-22. doi: 10.1002/chem.200800294
PMID: 18425743

Doing more than just the structure-structural genomics in kinase drug discovery.
Marsden BD, Knapp S
Curr Opin Chem Biol. 29.2.2008 12(1):40-5. doi: 10.1016/j.cbpa.2008.01.042
PMID: 18267130

Activation segment dimerization: a mechanism for kinase autophosphorylation of non-consensus sites.
Pike AC, Rellos P, Niesen FH, Turnbull A, Oliver AW, Parker SA, Turk BE, Pearl LH, Knapp S
EMBO J.. 20.2.2008 27(4):704-14. doi: 10.1038/emboj.2008.8
PMID: 18239682

Protein production and purification.
Gräslund S, Nordlund P, Weigelt J, Hallberg BM, Bray J, Gileadi O, Knapp S, Oppermann U, Arrowsmith C, Hui R, Ming J, dhe-Paganon S, Park HW, Savchenko A, Yee A, Edwards A, Vincentelli R, Cambillau C, Kim R, Kim SH, Rao Z, Shi Y, Terwilliger TC, Kim CY, Hung LW, Waldo GS, Peleg Y, Albeck S, Unger T, Dym O, Prilusky J, Sussman JL, Stevens RC, Lesley SA, Wilson IA, Joachimiak A, Collart F, Dementieva I, Donnelly MI, Eschenfeldt WH, Kim Y, Stols L, Wu R, Zhou M, Burley SK, Emtage JS, Sauder JM, Thompson D, Bain K, Luz J, Gheyi T, Zhang F, Atwell S, Almo SC, Bonanno JB, Fiser A, Swaminathan S, Studier FW, Chance MR, Sali A, Acton TB, Xiao R, Zhao L, Ma LC, Hunt JF, Tong L, Cunningham K, Inouye M, Anderson S, Janjua H, Shastry R, Ho CK, Wang D, Wang H, Jiang M, Montelione GT, Stuart DI, Owens RJ, Daenke S, Schütz A, Heinemann U, Yokoyama S, Büssow K, Gunsalus KC
Nat. Methods. 1.2.2008 5(2):135-46. doi: 10.1038/nmeth.f.202
PMID: 18235434

Structure of the human protein kinase MPSK1 reveals an atypical activation loop architecture.
Eswaran J, Bernad A, Ligos JM, Guinea B, Debreczeni JE, Sobott F, Parker SA, Najmanovich R, Turk BE, Knapp S
Structure. 11.1.2008 16(1):115-24. doi: 10.1016/j.str.2007.10.026
PMID: 18184589

2007

A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Fedorov O, Marsden B, Pogacic V, Rellos P, Müller S, Bullock AN, Schwaller J, Sundström M, Knapp S
Proc. Natl. Acad. Sci. U.S.A.. 18.12.2007 104(51):20523-8. doi: 10.1073/pnas.0708800104
PMID: 18077363

Structural and functional characterization of the human protein kinase ASK1.
Bunkoczi G, Salah E, Filippakopoulos P, Fedorov O, Müller S, Sobott F, Parker SA, Zhang H, Min W, Turk BE, Knapp S
Structure. 17.10.2007 15(10):1215-26. doi: 10.1016/j.str.2007.08.011
PMID: 17937911

The scientific impact of the Structural Genomics Consortium: a protein family and ligand-centered approach to medically-relevant human proteins.
Gileadi O, Knapp S, Lee WH, Marsden BD, Müller S, Niesen FH, Kavanagh KL, Ball LJ, von Delft F, Doyle DA, Oppermann UC, Sundström M
J. Struct. Funct. Genomics. 12.10.2007 8(2-3):107-19. doi: 10.1007/s10969-007-9027-2
PMID: 17932789

Structural analysis identifies imidazo[1,2-b]pyridazines as PIM kinase inhibitors with in vitro antileukemic activity.
Pogacic V, Bullock AN, Fedorov O, Filippakopoulos P, Gasser C, Biondi A, Meyer-Monard S, Knapp S, Schwaller J
Cancer Res.. 15.7.2007 67(14):6916-24. doi: 10.1158/0008-5472.CAN-07-0320
PMID: 17638903

Activation segment exchange: a common mechanism of kinase autophosphorylation?
Oliver AW, Knapp S, Pearl LH
Trends Biochem. Sci.. 12.7.2007 32(8):351-6. doi: 10.1016/j.tibs.2007.06.004
PMID: 17627826

Insights for the development of specific kinase inhibitors by targeted structural genomics.
Fedorov O, Sundström M, Marsden B, Knapp S
Drug Discov. Today. 29.3.2007 12(9-10):365-72. doi: 10.1016/j.drudis.2007.03.006
PMID: 17467572

Protein-protein interaction site mapping using NMR-detected mutational scanning.
Baminger B, Ludwiczek ML, Kontaxis G, Knapp S, Konrat R
J. Biomol. NMR. 20.4.2007 38(2):133-7. doi: 10.1007/s10858-007-9154-x
PMID: 17447011

Specificity profiling of Pak kinases allows identification of novel phosphorylation sites.
Rennefahrt UE, Deacon SW, Parker SA, Devarajan K, Beeser A, Chernoff J, Knapp S, Turk BE, Peterson JR
J. Biol. Chem.. 25.5.2007 282(21):15667-78. doi: 10.1074/jbc.M700253200
PMID: 17392278

Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms.
Rosettani P, Knapp S, Vismara MG, Rusconi L, Cameron AD
J. Mol. Biol.. 4.5.2007 368(3):691-705. doi: 10.1016/j.jmb.2007.02.019
PMID: 17368478

Biochemical characterization of TASSELSEED 2, an essential plant short-chain dehydrogenase/reductase with broad spectrum activities.
Wu X, Knapp S, Stamp A, Stammers DK, Jörnvall H, Dellaporta SL, Oppermann U
FEBS J.. 15.2.2007 274(5):1172-82. doi: 10.1111/j.1742-4658.2007.05642.x
PMID: 17298439

Crystal Structures of the p21-activated kinases PAK4, PAK5, and PAK6 reveal catalytic domain plasticity of active group II PAKs.
Eswaran J, Lee WH, Debreczeni JE, Filippakopoulos P, Turnbull A, Fedorov O, Deacon SW, Peterson JR, Knapp S
Structure. 13.2.2007 15(2):201-13. doi: 10.1016/j.str.2007.01.001
PMID: 17292838

Structure and regulation of the human Nek2 centrosomal kinase.
Rellos P, Ivins FJ, Baxter JE, Pike A, Nott TJ, Parkinson DM, Das S, Howell S, Fedorov O, Shen QY, Fry AM, Knapp S, Smerdon SJ
J. Biol. Chem.. 2.3.2007 282(9):6833-42. doi: 10.1074/jbc.M609721200
PMID: 17197699

2005

Structural basis of inhibitor specificity of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM-1) kinase.
Bullock AN, Debreczeni JE, Fedorov OY, Nelson A, Marsden BD, Knapp S
J. Med. Chem.. 1.12.2005 48(24):7604-14. doi: 10.1021/jm0504858
PMID: 16302800

Regulation of the wild-type and Y1235D mutant Met kinase activation.
Cristiani C, Rusconi L, Perego R, Schiering N, Kalisz HM, Knapp S, Isacchi A
Biochemistry. 1.11.2005 44(43):14110-9. doi: 10.1021/bi051242k
PMID: 16245927

Structure and substrate specificity of the Pim-1 kinase.
Bullock AN, Debreczeni J, Amos AL, Knapp S, Turk BE
J. Biol. Chem.. 16.12.2005 280(50):41675-82. doi: 10.1074/jbc.M510711200
PMID: 16227208

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