Publications | Structural Genomics Consortium

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

Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction.

Bolshan Y, Getlik M, Kuznetsova E, Wasney GA, Hajian T, Poda G, Nguyen KT, Wu H, Dombrovski L, Dong A, Senisterra G, Schapira M, Arrowsmith CH, Brown PJ, Al-Awar R, Vedadi M, Smil D

ACS Med Chem Lett. 4(3):353-7. doi: 10.1021/ml300467n

Publication date: March 14, 2013

PMID: 24900672

Systems approaches to genomic and epigenetic inter-regulation of peptide hormones in stress and reproduction.

Lovejoy DA, Barsyte-Lovejoy D

Prog. Biophys. Mol. Biol.. doi: 10.1016/j.pbiomolbio.2013.02.002

Publication date: March 14, 2013

PMID: 23500148

Crystal structures of the catalytic domain of human soluble guanylate cyclase.

Allerston CK, von Delft F, Gileadi O

PLoS ONE. 8(3):e57644. doi: 10.1371/journal.pone.0057644

Publication date: March 7, 2013

PMID: 23505436

Strategy to Target the Substrate Binding site of SET Domain Protein Methyltransferases.

Nguyen KT, Li F, Poda G, Smil D, Vedadi M, Schapira M

J Chem Inf Model. doi: 10.1021/ci300596x

Publication date: March 1, 2013

PMID: 23410263

Insight into S-adenosyl-L-methionine biosynthesis from crystal structures of human methionine adenosyltransferase catalytic and regulatory subunits.

Shafqat N, Muniz JR, Pilka ES, Paragrigoriou E, von Delft F, Oppermann U, Yue WW

Biochem. J.. doi: 10.1042/BJ20121580

Publication date: February 20, 2013

PMID: 23425511

A structural mapping of mutations causing succinyl-CoA:3-ketoacid CoA transferase (SCOT) deficiency.

Shafqat N, Kavanagh KL, Sass JO, Christensen E, Fukao T, Lee WH, Oppermann U, Yue WW

J. Inherit. Metab. Dis.. doi: 10.1007/s10545-013-9589-z

Publication date: February 19, 2013

PMID: 23420214

A small molecule inhibitor of the BLM helicase modulates chromosome stability in human cells.

Nguyen GH, Dexheimer TS, Rosenthal AS, Chu WK, Singh DK, Mosedale G, Bachrati CZ, Schultz L, Sakurai M, Savitsky P, Abu M, McHugh PJ, Bohr VA, Harris CC, Jadhav A, Gileadi O, Maloney DJ, Simeonov A, Hickson ID

Chem. Biol.. 20(1):55-62. doi: 10.1016/j.chembiol.2012.10.016

Publication date: January 24, 2013

PMID: 23352139

Solution structure of the Big domain from Streptococcus pneumoniae reveals a novel Ca2+-binding module.

Wang T, Zhang J, Zhang X, Xu C, Tu X

Sci Rep. 3:1079. doi: 10.1038/srep01079

Publication date: January 16, 2013

PMID: 23326635

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. 4(1):22-26. doi: 10.1021/ml300207a

Publication date: January 10, 2013

PMID: 23336033

LRIG2 Mutations Cause Urofacial Syndrome.

Stuart HM, Roberts NA, Burgu B, Daly SB, Urquhart JE, Bhaskar S, Dickerson JE, Mermerkaya M, Silay MS, Lewis MA, Olondriz MB, Gener B, Beetz C, Varga RE, Gülpınar O, Süer E, Soygür T, Ozçakar ZB, Yalçınkaya F, Kavaz A, Bulum B, Gücük A, Yue WW, Erdogan F, Berry A, Hanley NA, McKenzie EA, Hilton EN, Woolf AS, Newman WG

Am. J. Hum. Genet.. doi: 10.1016/j.ajhg.2012.12.002

Publication date: January 9, 2013

PMID: 23313374

Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain.

James LI, Barsyte-Lovejoy D, Zhong N, Krichevsky L, Korboukh VK, Herold JM, Macnevin CJ, Norris JL, Sagum CA, Tempel W, Marcon E, Guo H, Gao C, Huang XP, Duan S, Emili A, Greenblatt JF, Kireev DB, Jin J, Janzen WP, Brown PJ, Bedford MT, Arrowsmith CH, Frye SV

Nat. Chem. Biol.. doi: 10.1038/nchembio.1157

Publication date: January 6, 2013

PMID: 23292653

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.. doi: 10.1016/j.bbrc.2012.12.113

Publication date: January 4, 2013

PMID: 23296203

A Strategy for Modulation of Enzymes in the Ubiquitin System.

Ernst A, Avvakumov G, Tong J, Fan Y, Zhao Y, Alberts P, Persaud A, Walker JR, Neculai AM, Neculai D, Vorobyov A, Garg P, Beatty L, Chan PK, Juang YC, Landry MC, Yeh C, Zeqiraj E, Karamboulas K, Allali-Hassani A, Vedadi M, Tyers M, Moffat J, Sicheri F, Pelletier L, Durocher D, Raught B, Rotin D, Yang J, Moran MF, Dhe-Paganon S, Sidhu SS

Science. doi: 10.1126/science.1230161

Publication date: January 3, 2013

PMID: 23287719

Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.

Senisterra G, Wu H, Allali-Hassani A, Wasney GA, Barsyte-Lovejoy D, Dombrovski L, Dong A, Nguyen KT, Smil D, Bolshan Y, Hajian T, He H, Seitova A, Chau I, Li F, Poda G, Couture JF, Brown PJ, Al-Awar R, Schapira M, Arrowsmith CH, Vedadi M

Biochem. J.. 449(1):151-9. doi: 10.1042/BJ20121280

Publication date: January 1, 2013

PMID: 22989411

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. 4(1):140-144. doi: 10.1039/C2MD20189E

Publication date: January 1, 2013

PMID: 26682033

(R)-β-lysine modified elongation factor P functions in translation elongation.

Bullwinkle TJ, Zou SB, Rajkovic A, Hersch SJ, Elgamal S, Robinson N, Smil D, Bolshan Y, Navarre WW, Ibba M

J. Biol. Chem.. doi: 10.1074/jbc.M112.438879

Publication date: December 31, 2012

PMID: 23277358

Crystal Structure of the Human SUV39H1 Chromodomain and Its Recognition of Histone H3K9me2/3.

Wang T, Xu C, Liu Y, Fan K, Li Z, Sun X, Ouyang H, Zhang X, Zhang J, Li Y, Mackenzie F, Min J, Tu X

PLoS ONE. 7(12):e52977. doi: 10.1371/journal.pone.0052977

Publication date: December 28, 2012

PMID: 23285239

Nahuoic Acid A Produced by a Streptomyces sp. Isolated From a Marine Sediment Is a Selective SAM-Competitive Inhibitor of the Histone Methyltransferase SETD8.

Williams DE, Dalisay DS, Li F, Amphlett J, Maneerat W, Chavez MA, Wang YA, Matainaho T, Yu W, Brown PJ, Arrowsmith CH, Vedadi M, Andersen RJ

Org. Lett.. doi: 10.1021/ol303416k

Publication date: December 28, 2012

PMID: 23272941

Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.

Yu W, Chory EJ, Wernimont AK, Tempel W, Scopton A, Federation A, Marineau JJ, Qi J, Barsyte-Lovejoy D, Yi J, Marcellus R, Iacob RE, Engen JR, Griffin C, Aman A, Wienholds E, Li F, Pineda J, Estiu G, Shatseva T, Hajian T, Al-Awar R, Dick JE, Vedadi M, Brown PJ, Arrowsmith CH, Bradner JE, Schapira M

Nat Commun. 3:1288. doi: 10.1038/ncomms2304

Publication date: December 18, 2012

PMID: 23250418