Publications | Structural Genomics Consortium

Tchigvintsev A, Tchigvintsev D, Flick R, Popovic A, Dong A, Xu X, Brown G, Lu W, Wu H, Cui H, Dombrowski L, Joo JC, Beloglazova N, Min J, Savchenko A, Caudy AA, Rabinowitz JD, Murzin AG, Yakunin AF

Chem. Biol.. doi: 10.1016/j.chembiol.2013.09.011

Publication date: October 22, 2013

PMID: 24210219

Exploring the Trypanosoma brucei Hsp83 Potential as a Target for Structure Guided Drug Design.

Pizarro JC, Hills T, Senisterra G, Wernimont AK, Mackenzie C, Norcross NR, Ferguson MA, Wyatt PG, Gilbert IH, Hui R

PLoS Negl Trop Dis. 7(10):e2492. doi: 10.1371/journal.pntd.0002492

Publication date: October 17, 2013

PMID: 24147171

Small-Molecule Modulators for Epigenetics Targets.

Knapp S, Weinmann H

ChemMedChem. doi: 10.1002/cmdc.201300344

Publication date: October 14, 2013

PMID: 24127276

Identification of Novel Functionally Selective Kappa Opioid Receptor Scaffolds.

White KL, Scopton AP, Rives ML, Bikbulatov RV, Polepally PR, Brown PJ, Kenakin T, Javitch JA, Zjawiony JK, Roth BL

Mol. Pharmacol.. doi: 10.1124/mol.113.089649

Publication date: October 10, 2013

PMID: 24113749

Discovery of an in vivo Chemical Probe of the Lysine Methyltransferases G9a and GLP.

Liu F, Barsyte-Lovejoy D, Li F, Xiong Y, Korboukh VK, Huang X, Allali-Hassani A, Janzen WP, Roth BL, Frye SV, Arrowsmith CH, Brown PJ, Vedadi M, Jin J

J. Med. Chem.. doi: 10.1021/jm401480r

Publication date: October 8, 2013

PMID: 24102134

Structural insights into functional overlapping and differentiation among myosin V motors.

Nascimento AF, Trindade DM, Tonoli CC, de Giuseppe PO, Assis LH, Honorato RV, de Oliveira PS, Mahajan P, Burgess-Brown NA, von Delft F, Larson RE, Murakami MT

J. Biol. Chem.. doi: 10.1074/jbc.M113.507202

Publication date: October 4, 2013

PMID: 24097982

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.. doi: 10.1021/jm4011302

Publication date: October 3, 2013

PMID: 24090311

Molecular Basis for the Regulation of the H3K4 Methyltransferase Activity of PRDM9.

Wu H, Mathioudakis N, Diagouraga B, Dong A, Dombrovski L, Baudat F, Cusack S, de Massy B, Kadlec J

Cell Rep. doi: 10.1016/j.celrep.2013.08.035

Publication date: October 2, 2013

PMID: 24095733

Defining efficient enzyme-cofactor pairs for bioorthogonal profiling of protein methylation.

Islam K, Chen Y, Wu H, Bothwell IR, Blum GJ, Zeng H, Dong A, Zheng W, Min J, Deng H, Luo M

Proc. Natl. Acad. Sci. U.S.A.. doi: 10.1073/pnas.1216365110

Publication date: September 30, 2013

PMID: 24082136

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, Ayinampudi V, Marsden BD, Gileadi O, Knapp S, von Delft F, Bullock AN

J. Biol. Chem.. 288(39):28304.

Publication date: September 27, 2013

PMID: 24078033

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.. doi: 10.1002/anie.201304686

Publication date: September 23, 2013

PMID: 24115519

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.. 20(10):1182-1190. doi: 10.1038/nsmb.2668

Publication date: September 15, 2013

PMID: 24037507

Suppressor of Cytokine Signaling (SOCS) 5 Utilises Distinct Domains for Regulation of JAK1 and Interaction with the Adaptor Protein Shc-1.

Linossi EM, Chandrashekaran IR, Kolesnik TB, Murphy JM, Webb AI, Willson TA, Kedzierski L, Bullock AN, Babon JJ, Norton RS, Nicola NA, Nicholson SE

PLoS ONE. 8(8):e70536. doi: 10.1371/journal.pone.0070536

Publication date: August 21, 2013

PMID: 23990909

Synthesis and SAR studies of 5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine derivatives as potent inhibitors of Bloom helicase.

Rosenthal AS, Dexheimer TS, Gileadi O, Nguyen GH, Chu WK, Hickson ID, Jadhav A, Simeonov A, Maloney DJ

Bioorg. Med. Chem. Lett.. doi: 10.1016/j.bmcl.2013.08.025

Publication date: August 13, 2013

PMID: 24012121

Testis specific gene expression drives disease progression and Rituximab resistance in lymphoma.

Knapp S

EMBO Mol Med. 5(8):1149-50. doi: 10.1002/emmm.201303018

Publication date: August 7, 2013

PMID: 23918227

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. 4(8):3110-3117. doi: 10.1039/C3SC51122G

Publication date: August 1, 2013

PMID: 26682036

Discovery of a Potent and Selective DDR1 Receptor Tyrosine Kinase Inhibitor.

Kim HG, Tan L, Weisberg EL, Liu F, Canning P, Choi HG, Ezell SA, Wu H, Zhao Z, Wang J, Mandinova A, Griffin JD, Bullock AN, Liu Q, Lee SW, Gray NS

ACS Chem. Biol.. doi: 10.1021/cb400430t

Publication date: July 30, 2013

PMID: 23899692

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.. doi: 10.1167/iovs.13-12422

Publication date: July 25, 2013

PMID: 23887803

Control of the Hippo Pathway by Set7-Dependent Methylation of Yap.

Oudhoff MJ, Freeman SA, Couzens AL, Antignano F, Kuznetsova E, Min PH, Northrop JP, Lehnertz B, Barsyte-Lovejoy D, Vedadi M, Arrowsmith CH, Nishina H, Gold MR, Rossi FM, Gingras AC, Zaph C

Dev. Cell. doi: 10.1016/j.devcel.2013.05.025

Publication date: July 9, 2013

PMID: 23850191

Ionic strength-dependent conformations of a ubiquitin-like small archaeal modifier protein (SAMP2) from Haloferax volcanii.

Liao S, Zhang W, Fan K, Ye K, Zhang X, Zhang J, Xu C, Tu X

Sci Rep. 3:2136. doi: 10.1038/srep02136

Publication date: July 5, 2013

PMID: 23823798

Substrate Specificity and Oligomerization of Human GMP Synthetase.

Welin M, Lehtiö L, Johansson A, Flodin S, Nyman T, Trésaugues L, Hammarström M, Gräslund S, Nordlund P

J. Mol. Biol.. doi: 10.1016/j.jmb.2013.06.032

Publication date: June 28, 2013

PMID: 23816837

Molecular architecture of the ankyrin SOCS box family of Cul5-dependent E3 ubiquitin ligases.

Muniz JR, Guo K, Kershaw NJ, Ayinampudi V, von Delft F, Babon JJ, Bullock AN

J. Mol. Biol.. doi: 10.1016/j.jmb.2013.06.015

Publication date: June 24, 2013

PMID: 23806657

Crystal Structures of Malonyl-Coenzyme A Decarboxylase Provide Insights into Its Catalytic Mechanism and Disease-Causing Mutations.

Froese DS, Forouhar F, Tran TH, Vollmar M, Kim YS, Lew S, Neely H, Seetharaman J, Shen Y, Xiao R, Acton TB, Everett JK, Cannone G, Puranik S, Savitsky P, Krojer T, Pilka ES, Kiyani W, Lee WH, Marsden BD, von Delft F, Allerston CK, Spagnolo L, Gileadi O, Montelione GT, Oppermann U, Yue WW, Tong L

Structure. doi: 10.1016/j.str.2013.05.001

Publication date: June 18, 2013

PMID: 23791943

Squeezing the most from every crystal: the fine details of data collection.

Krojer T, Pike AC, von Delft F

Acta Crystallogr. D Biol. Crystallogr.. 69(Pt 7):1303-13. doi: 10.1107/S0907444913013280

Publication date: June 18, 2013

PMID: 23793157

Structures of ABCB10, a human ATP-binding cassette transporter in apo- and nucleotide-bound states.

Shintre CA, Pike AC, Li Q, Kim JI, Barr AJ, Goubin S, Shrestha L, Yang J, Berridge G, Ross J, Stansfeld PJ, Sansom MS, Edwards AM, Bountra C, Marsden BD, von Delft F, Bullock AN, Gileadi O, Burgess-Brown NA, Carpenter EP

Proc. Natl. Acad. Sci. U.S.A.. 110(24):9710-5. doi: 10.1073/pnas.1217042110

Publication date: June 11, 2013

PMID: 23716676

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. 8(6):e64824. doi: 10.1371/journal.pone.0064824

Publication date: June 5, 2013

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. 21(6):986-96. doi: 10.1016/j.str.2013.03.012

Publication date: June 4, 2013

PMID: 23665168

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.. 73(11):3336-3346. doi: 10.1158/0008-5472.CAN-12-3292

Publication date: June 1, 2013

PMID: 23576556

Quantitative Analysis of Histone Demethylase Probes Using Fluorescence Polarization.

Xu W, Podoll JD, Dong X, Tumber A, Oppermann UC, Wang X

J. Med. Chem.. doi: 10.1021/jm3018628

Publication date: May 30, 2013

PMID: 23725560

Homozygous mutations in a predicted endonuclease cause Congenital Dyserythropoietic Anemia Type I.

Babbs C, Roberts NA, Sanchez-Pulido L, McGowan SJ, Ahmed MR, Brown JM, Sabry MA, Bentley DR, McVean GA, Donnelly P, Gileadi O, Ponting CP, Higgs DR, Buckle VJ

Haematologica. doi: 10.3324/haematol.2013.089490

Publication date: May 28, 2013

PMID: 23716552

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.. doi: 10.1021/jm4000837

Publication date: May 17, 2013

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. 23(5):618-33. doi: 10.1016/j.ccr.2013.03.013

Publication date: May 13, 2013

PMID: 23623661

A New Class of Small Molecule Inhibitor of BMP Signaling.

Sanvitale CE, Kerr G, Chaikuad A, Ramel MC, Mohedas AH, Reichert S, Wang Y, Triffitt JT, Cuny GD, Yu PB, Hill CS, Bullock AN

PLoS ONE. 8(4):e62721. doi: 10.1371/journal.pone.0062721

Publication date: April 30, 2013

PMID: 23646137

Development of an ALK2-Biased BMP Type I Receptor Kinase Inhibitor.

Mohedas AH, Xing X, Armstrong KA, Bullock AN, Cuny GD, Yu PB

ACS Chem. Biol.. doi: 10.1021/cb300655w

Publication date: April 30, 2013

PMID: 23547776

An Orally Bioavailable Chemical Probe of the Lysine Methyltransferases EZH2 and EZH1.

Konze KD, Ma A, Li F, Barsyte-Lovejoy D, Parton T, Macnevin CJ, Liu F, Gao C, Huang XP, Kuznetsova E, Rougie M, Jiang A, Pattenden SG, Norris JL, James LI, Roth BL, Brown PJ, Frye SV, Arrowsmith CH, Hahn KM, Wang GG, Vedadi M, Jin J

ACS Chem. Biol.. doi: 10.1021/cb400133j

Publication date: April 24, 2013

PMID: 23614352

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. 8(6):909-13. doi: 10.1002/cmdc.201300042

Publication date: April 24, 2013

PMID: 23616352

Constitutively Active ALK2 Receptor Mutants Require Type II Receptor Cooperation.

Bagarova J, Vonner AJ, Armstrong KA, Börgermann J, Lai CS, Deng DY, Beppu H, Alfano I, Filippakopoulos P, Morrell NW, Bullock AN, Knaus P, Mishina Y, Yu PB

Mol. Cell. Biol.. 33(12):2413-24. doi: 10.1128/MCB.01595-12

Publication date: April 9, 2013

PMID: 23572558

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.. 9:655. doi: 10.1038/msb.2013.12

Publication date: April 4, 2013

PMID: 23549483

Why is epigenetics important in understanding the pathogenesis of inflammatory musculoskeletal diseases?

Oppermann U

Arthritis Res. Ther.. 15(2):209. doi: 10.1186/ar4186

Publication date: April 3, 2013

PMID: 23566317

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.. 21(7):1787-94. doi: 10.1016/j.bmc.2013.01.049

Publication date: April 1, 2013

PMID: 23433670

Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides.

Li B, Tempel W, Smil D, Bolshan Y, Schapira M, Park HW

Proteins. doi: 10.1002/prot.24290

Publication date: March 30, 2013

PMID: 23553820

The structural basis of ZMPSTE24-dependent laminopathies.

Quigley A, Dong YY, Pike AC, Dong L, Shrestha L, Berridge G, Stansfeld PJ, Sansom MS, Edwards AM, Bountra C, von Delft F, Bullock AN, Burgess-Brown NA, Carpenter EP

Science. 339(6127):1604-7. doi: 10.1126/science.1231513

Publication date: March 29, 2013

PMID: 23539603

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.. doi: 10.1158/1078-0432.CCR-12-3066

Publication date: March 26, 2013

PMID: 23403638

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.. doi: 10.1021/jm301588r

Publication date: March 21, 2013

PMID: 23517011

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.. 288(11):7803-14. doi: 10.1074/jbc.M112.437996

Publication date: March 15, 2013

PMID: 23349464

Exploiting an Allosteric Binding Site of PRMT3 Yields Potent and Selective Inhibitors.

Liu F, Li F, Ma A, Dobrovetsky E, Dong A, Gao C, Korboukh I, Liu J, Smil D, Brown PJ, Frye SV, Arrowsmith CH, Schapira M, Vedadi M, Jin J

J. Med. Chem.. 56(5):2110-24. doi: 10.1021/jm3018332

Publication date: March 14, 2013

PMID: 23445220