Publications

Wei Y, Redel C, Ahlner A, Lemak A, Johansson-Åkhe I, Houliston S, Kenney TMG, Tamachi A, Morad V, Duan S, Andrews DW, Wallner B, Sunnerhagen M, Arrowsmith CH, Penn LZ

Nucleic Acids Res. doi: 10.1093/nar/gkac138

Publication date: March 4, 2022

PMID: 35244724

Longitudinal assessment of reactivity and affinity profile of anti-Jo1 autoantibodies to distinct HisRS domains and a splice variant in a cohort of patients with myositis and anti-synthetase syndrome.

Notarnicola A, Preger C, Lundström SL, Renard N, Wigren E, Van Gompel E, Galindo-Feria AS, Persson H, Fathi M, Grunewald J, Jakobsson PJ, Gräslund S, Lundberg IE, Fernandes-Cerqueira C

Arthritis Res Ther. 24(1):62. doi: 10.1186/s13075-022-02745-6

Publication date: March 2, 2022

PMID: 35236390

Nanobodies as allosteric modulators of Parkinson's disease-associated LRRK2.

Singh RK, Soliman A, Guaitoli G, Störmer E, von Zweydorf F, Dal Maso T, Oun A, Van Rillaer L, Schmidt SH, Chatterjee D, David JA, Pardon E, Schwartz TU, Knapp S, Kennedy EJ, Steyaert J, Herberg FW, Kortholt A, Gloeckner CJ, Versées W

Proc Natl Acad Sci U S A. 119(9):. doi: 10.1073/pnas.2112712119

Publication date: March 1, 2022

PMID: 35217606

LRRK2 dynamics analysis identifies allosteric control of the crosstalk between its catalytic domains.

Weng JH, Aoto PC, Lorenz R, Wu J, Schmidt SH, Manschwetus JT, Kaila-Sharma P, Silletti S, Mathea S, Chatterjee D, Knapp S, Herberg FW, Taylor SS

PLoS Biol. 20(2):e3001427. doi: 10.1371/journal.pbio.3001427

Publication date: February 23, 2022

PMID: 35192607

Image-Based Annotation of Chemogenomic Libraries for Phenotypic Screening.

Tjaden A, Chaikuad A, Kowarz E, Marschalek R, Knapp S, Schröder M, Müller S

Molecules. 27(4):. doi: 10.3390/molecules27041439

Publication date: February 21, 2022

PMID: 35209227

Cascade Synthesis of Kinase-Privileged 3-Aminoindazoles via Intramolecular N-N Bond Formation.

Zhu WF, Krämer A, Knapp S, Proschak E, Hernandez-Olmos V

J Org Chem. doi: 10.1021/acs.joc.1c03057

Publication date: February 18, 2022

PMID: 35179025

Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor.

M Serafim RA, da Silva Santiago A, Schwalm MP, Hu Z, Dos Reis CV, Takarada JE, Mezzomo P, Massirer KB, Kudolo M, Gerstenecker S, Chaikuad A, Zender L, Knapp S, Laufer S, Couñago RM, Gehringer M

J Med Chem. doi: 10.1021/acs.jmedchem.1c01165

Publication date: February 15, 2022

PMID: 35167750

Cdyl Deficiency Brakes Neuronal Excitability and Nociception through Promoting Kcnb1 Transcription in Peripheral Sensory Neurons.

Sun ZW, Waybright JM, Beldar S, Chen L, Foley CA, Norris-Drouin JL, Lyu TJ, Dong A, Min J, Wang YP, James LI, Wang Y

Adv Sci (Weinh). e2104317. doi: 10.1002/advs.202104317

Publication date: February 4, 2022

PMID: 35119221

Development of dihydropyrrolopyridinone-based PKN2/PRK2 chemical tools to enable drug discovery.

Scott F, Fala AM, Takarada JE, Ficu MP, Pennicott LE, Reuillon TD, Couñago RM, Massirer KB, Elkins JM, Ward SE

Bioorg Med Chem Lett. 60:128588. doi: 10.1016/j.bmcl.2022.128588

Publication date: January 29, 2022

PMID: 35104640

Target 2035 - update on the quest for a probe for every protein.

Müller S, Ackloo S, Al Chawaf A, Al-Lazikani B, Antolin A, Baell JB, Beck H, Beedie S, Betz UAK, Bezerra GA, Brennan PE, Brown D, Brown PJ, Bullock AN, Carter AJ, Chaikuad A, Chaineau M, Ciulli A, Collins I, Dreher J, Drewry D, Edfeldt K, Edwards AM, Egner U, Frye SV, Fuchs SM, Hall MD, Hartung IV, Hillisch A, Hitchcock SH, Homan E, Kannan N, Kiefer JR, Knapp S, Kostic M, Kubicek S, Leach AR, Lindemann S, Marsden BD, Matsui H, Meier JL, Merk D, Michel M, Morgan MR, Mueller-Fahrnow A, Owen DR, Perry BG, Rosenberg SH, Saikatendu KS, Schapira M, Scholten C, Sharma S, Simeonov A, Sundström M, Superti-Furga G, Todd MH, Tredup C, Vedadi M, von Delft F, Willson TM, Winter GE, Workman P, Arrowsmith CH

RSC Med Chem. 13(1):13-21. doi: 10.1039/d1md00228g

Publication date: January 27, 2022

PMID: 35211674

Autoantibodies against Four-and-a-Half-LIM Domain 1 (FHL1) in Inflammatory Myopathies: Results from an Australian Single-Center Cohort.

Galindo-Feria AS, Horuluoglu B, Day J, Fernandes-Cerqueira C, Wigren E, Gräslund S, Proudman S, Lundberg IE, Limaye V

Rheumatology (Oxford). doi: 10.1093/rheumatology/keac003

Publication date: January 12, 2022

PMID: 35022656

Aurora Kinase A Is Involved in Controlling the Localization of Aquaporin-2 in Renal Principal Cells.

Baltzer S, Bulatov T, Schmied C, Krämer A, Berger BT, Oder A, Walker-Gray R, Kuschke C, Zühlke K, Eichhorst J, Lehmann M, Knapp S, Weston J, von Kries JP, Süssmuth RD, Klussmann E

Int J Mol Sci. 23(2):. doi: 10.3390/ijms23020763

Publication date: January 11, 2022

PMID: 35054947

Design of a Potent TLX Agonist by Rational Fragment Fusion.

Faudone G, Zhubi R, Celik F, Knapp S, Chaikuad A, Heering J, Merk D

J Med Chem. doi: 10.1021/acs.jmedchem.1c01757

Publication date: January 6, 2022

PMID: 34989568

TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.

Nozal V, Martínez-González L, Gomez-Almeria M, Gonzalo-Consuegra C, Santana P, Chaikuad A, Pérez-Cuevas E, Knapp S, Lietha D, Ramírez D, Petralla S, Monti B, Gil C, Martín-Requero A, Palomo V, de Lago E, Martinez A

J Med Chem. doi: 10.1021/acs.jmedchem.1c01942

Publication date: January 3, 2022

PMID: 34978799

Structural Aspects of LIMK Regulation and Pharmacology.

Chatterjee D, Preuss F, Dederer V, Knapp S, Mathea S

Cells. 11(1):. doi: 10.3390/cells11010142

Publication date: January 2, 2022

PMID: 35011704

Histone lysine methacrylation is a dynamic post-translational modification regulated by HAT1 and SIRT2.

Delaney K, Tan M, Zhu Z, Gao J, Dai L, Kim S, Ding J, He M, Halabelian L, Yang L, Nagarajan P, Parthun MR, Lee S, Khochbin S, Zheng YG, Zhao Y

Cell Discov. 7(1):122. doi: 10.1038/s41421-021-00344-4

Publication date: December 28, 2021

PMID: 34961760

Selective BH3 mimetics synergize with BET inhibition to induce mitochondrial apoptosis in rhabdomyosarcoma cells.

Erdogdu U, Dolgikh N, Laszig S, Särchen V, Meister MT, Wanior M, Knapp S, Boedicker C

Neoplasia. 24(2):109-119. doi: 10.1016/j.neo.2021.11.012

Publication date: December 23, 2021

PMID: 34959030

Prediction and Validation of a Protein's Free Energy Surface Using Hydrogen Exchange and (Importantly) Its Denaturant Dependence.

Peng X, Baxa M, Faruk N, Sachleben JR, Pintscher S, Gagnon IA, Houliston S, Arrowsmith CH, Freed KF, Rocklin GJ, Sosnick TR

J Chem Theory Comput. doi: 10.1021/acs.jctc.1c00960

Publication date: December 22, 2021

PMID: 34936354

Single tracer-based protocol for broad-spectrum kinase profiling in live cells with NanoBRET.

Robers MB, Wilkinson JM, Vasta JD, Berger LM, Berger BT, Knapp S

STAR Protoc. 2(4):100822. doi: 10.1016/j.xpro.2021.100822

Publication date: December 17, 2021

PMID: 34568844

Discovery of Novel BRD4 Ligand Scaffolds by Automated Navigation of the Fragment Chemical Space.

Piticchio SG, Martínez-Cartró M, Scaffidi S, Rachman M, Rodriguez-Arevalo S, Sanchez-Arfelis A, Escolano C, Picaud S, Krojer T, Filippakopoulos P, von Delft F, Galdeano C, Barril X

J Med Chem. doi: 10.1021/acs.jmedchem.1c01108

Publication date: December 13, 2021

PMID: 34898210

Structural basis for the recognition of the S2, S5-phosphorylated RNA polymerase II CTD by the mRNA anti-terminator protein hSCAF4.

Zhou M, Ehsan F, Gan L, Dong A, Li Y, Liu K, Min J

FEBS Lett. doi: 10.1002/1873-3468.14256

Publication date: December 13, 2021

PMID: 34897689

The Transcriptional Repressor Orphan Nuclear Receptor TLX Is Responsive to Xanthines.

Faudone G, Kilu W, Ni X, Chaikuad A, Sreeramulu S, Heitel P, Schwalbe H, Knapp S, Schubert-Zsilavecz M, Heering J, Merk D

ACS Pharmacol Transl Sci. 4(6):1794-1807. doi: 10.1021/acsptsci.1c00195

Publication date: December 10, 2021

PMID: 34927011

Huntingtin structure is orchestrated by HAP40 and shows a polyglutamine expansion-specific interaction with exon 1.

Harding RJ, Deme JC, Hevler JF, Tamara S, Lemak A, Cantle JP, Szewczyk MM, Begeja N, Goss S, Zuo X, Loppnau P, Seitova A, Hutchinson A, Fan L, Truant R, Schapira M, Carroll JB, Heck AJR, Lea SM, Arrowsmith CH

Commun Biol. 4(1):1374. doi: 10.1038/s42003-021-02895-4

Publication date: December 8, 2021

PMID: 34880419

Exploration of Aberrant E3 Ligases Implicated in Alzheimer's Disease and Development of Chemical Tools to Modulate Their Function.

Potjewyd FM, Axtman AD

Front Cell Neurosci. 15:768655. doi: 10.3389/fncel.2021.768655

Publication date: December 7, 2021

PMID: 34867205

FOXN1 forms higher-order nuclear condensates displaced by mutations causing immunodeficiency.

Rota IA, Handel AE, Maio S, Klein F, Dhalla F, Deadman ME, Cheuk S, Newman JA, Michaels YS, Zuklys S, Prevot N, Hublitz P, Charles PD, Gkazi AS, Adamopoulou E, Qasim W, Davies EG, Hanson I, Pagnamenta AT, Camps C, Dreau HM, White A, James K, Fischer R, Gileadi O, Taylor JC, Fulga T, Lagerholm BC, Anderson G, Sezgin E, Holländer GA

Sci Adv. 7(49):eabj9247. doi: 10.1126/sciadv.abj9247

Publication date: December 3, 2021

PMID: 34860543

NUAK family kinase 2 is a novel therapeutic target for prostate cancer.

Fu W, Zhao MT, Driver LM, Schirmer AU, Yin Q, You S, Freedland SJ, DiGiovanni J, Drewry DH, Macias E

Mol Carcinog. doi: 10.1002/mc.23374

Publication date: November 24, 2021

PMID: 34818445

Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor γ Agonists/Soluble Epoxide Hydrolase Inhibitors.

Lillich FF, Willems S, Ni X, Kilu W, Borkowsky C, Brodsky M, Kramer JS, Brunst S, Hernandez-Olmos V, Heering J, Schierle S, Kestner RI, Mayser FM, Helmstädter M, Göbel T, Weizel L, Namgaladze D, Kaiser A, Steinhilber D, Pfeilschifter W, Kahnt AS, Proschak A, Chaikuad A, Knapp S, Merk D, Proschak E

J Med Chem. doi: 10.1021/acs.jmedchem.1c01331

Publication date: November 24, 2021

PMID: 34818007

Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia.

Bata N, Chaikuad A, Bakas NA, Limpert AS, Lambert LJ, Sheffler DJ, Berger LM, Liu G, Yuan C, Wang L, Peng Y, Dong J, Celeridad M, Layng F, Knapp S, Cosford NDP

J Med Chem. doi: 10.1021/acs.jmedchem.1c00804

Publication date: November 22, 2021

PMID: 34807584

Mutation in Abl kinase with altered drug-binding kinetics indicates a novel mechanism of imatinib resistance.

Lyczek A, Berger BT, Rangwala AM, Paung Y, Tom J, Philipose H, Guo J, Albanese SK, Robers MB, Knapp S, Chodera JD, Seeliger MA

Proc Natl Acad Sci U S A. 118(46):. doi: 10.1073/pnas.2111451118

Publication date: November 16, 2021

PMID: 34750265

A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.

Dilworth D, Hanley RP, Ferreira de Freitas R, Allali-Hassani A, Zhou M, Mehta N, Marunde MR, Ackloo S, Carvalho Machado RA, Khalili Yazdi A, Owens DDG, Vu V, Nie DY, Alqazzaz M, Marcon E, Li F, Chau I, Bolotokova A, Qin S, Lei M, Liu Y, Szewczyk MM, Dong A, Kazemzadeh S, Abramyan T, Popova IK, Hall NW, Meiners MJ, Cheek MA, Gibson E, Kireev D, Greenblatt JF, Keogh MC, Min J, Brown PJ, Vedadi M, Arrowsmith CH, Barsyte-Lovejoy D, James LI, Schapira M

Nat Chem Biol. doi: 10.1038/s41589-021-00898-0

Publication date: November 15, 2021

PMID: 34782742

Selectivity aspects of activity-based (chemical) probes.

Heinzlmeir S, Müller S

Drug Discov Today. doi: 10.1016/j.drudis.2021.10.021

Publication date: October 30, 2021

PMID: 34728376

The human pseudouridine synthase PUS7 recognizes RNA with an extended multi-domain binding surface.

Guegueniat J, Halabelian L, Zeng H, Dong A, Li Y, Wu H, Arrowsmith CH, Kothe U

Nucleic Acids Res. doi: 10.1093/nar/gkab934

Publication date: October 28, 2021

PMID: 34718722

Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status.

Chen S, Zhou M, Dong A, Loppnau P, Wang M, Min J, Liu K

J Biol Chem. 101351. doi: 10.1016/j.jbc.2021.101351

Publication date: October 26, 2021

PMID: 34715126

Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.

Wittlinger F, Heppner DE, To C, Günther M, Shin BH, Rana JK, Schmoker AM, Beyett TS, Berger LM, Berger BT, Bauer N, Vasta JD, Corona CR, Robers MB, Knapp S, Jänne PA, Eck MJ, Laufer SA

J Med Chem. doi: 10.1021/acs.jmedchem.1c00848

Publication date: October 20, 2021

PMID: 34668706

Chemical Genetics Screen Identifies COPB2 Tool Compounds That Alters ER Stress Response and Induces RTK Dysregulation in Lung Cancer Cells.

Saraon P, Snider J, Schormann W, Rai A, Radulovich N, Sánchez-Osuna M, Coulombe-Huntington J, Huard C, Mohammed M, Lima-Fernandes E, Thériault B, Halabelian L, Chan M, Joshi D, Drecun L, Yao Z, Pathmanathan S, Wong V, Lyakisheva A, Aboualizadeh F, Niu L, Li F, Kiyota T, Subramanian R, Joseph B, Aman A, Prakesch M, Isaac M, Mamai A, Poda G, Vedadi M, Marcellus R, Uehling D, Leighl N, Sacher A, Samaržija M, Jakopović M, Arrowsmith C, Tyers M, Tsao MS, Andrews D, Al-Awar R, Stagljar I

J Mol Biol. 433(23):167294. doi: 10.1016/j.jmb.2021.167294

Publication date: October 16, 2021

PMID: 34662547

The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif.

Lukacik P, Owen CD, Harris G, Bolla JR, Picaud S, Alibay I, Nettleship JE, Bird LE, Owens RJ, Biggin PC, Filippakopoulos P, Robinson CV, Walsh MA

PLoS One. 16(10):e0256070. doi: 10.1371/journal.pone.0256070

Publication date: October 16, 2021

PMID: 34653190

Structure-Activity Relationship of USP5 Inhibitors.

Mann MK, Zepeda-Velázquez CA, González-Álvarez H, Dong A, Kiyota T, Aman AM, Loppnau P, Li Y, Wilson B, Arrowsmith CH, Al-Awar R, Harding RJ, Schapira M

J Med Chem. doi: 10.1021/acs.jmedchem.1c00889

Publication date: October 14, 2021

PMID: 34648286