Publications | Structural Genomics Consortium

Savitsky P, Krojer T, Fujisawa T, Lambert JP, Picaud S, Wang CY, Shanle EK, Krajewski K, Friedrichsen H, Kanapin A, Goding C, Schapira M, Samsonova A, Strahl BD, Gingras AC, Filippakopoulos P

Cell Rep. 17(10):2724-2737. doi: 10.1016/j.celrep.2016.11.014

Publication date: December 6, 2016

PMID: 27926874

Mass spectrometry captures off-target drug binding and provides mechanistic insights into the human metalloprotease ZMPSTE24.

Mehmood S, Marcoux J, Gault J, Quigley A, Michaelis S, Young SG, Carpenter EP, Robinson CV

Nat Chem. 8(12):1152-1158. doi: 10.1038/nchem.2591

Publication date: November 23, 2016

PMID: 27874871

Metalloprotease SPRTN/DVC1 Orchestrates Replication-Coupled DNA-Protein Crosslink Repair.

Vaz B, Popovic M, Newman JA, Fielden J, Aitkenhead H, Halder S, Singh AN, Vendrell I, Fischer R, Torrecilla I, Drobnitzky N, Freire R, Amor DJ, Lockhart PJ, Kessler BM, McKenna GW, Gileadi O, Ramadan K

Mol. Cell. 64(4):704-719. doi: 10.1016/j.molcel.2016.09.032

Publication date: November 17, 2016

PMID: 27871366

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. 30(5):822-823. doi: 10.1016/j.ccell.2016.09.019

Publication date: November 14, 2016

PMID: 27846394

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. doi: 10.1016/j.chembiol.2016.10.008

Publication date: November 7, 2016

PMID: 27840070

Selective silencing of α-globin by the histone demethylase inhibitor IOX1: A potentially new pathway for treatment of β-thalassemia.

Mettananda S, Fisher CA, Sloane-Stanley JA, Taylor S, Oppermann U, Gibbons RJ, Higgs DR

Haematologica. doi: 10.3324/haematol.2016.155655

Publication date: November 3, 2016

PMID: 27810991

Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.

Butler KV, Ma A, Yu W, Li F, Tempel W, Babault N, Pittella-Silva F, Shao J, Wang J, Luo M, Vedadi M, Brown PJ, Arrowsmith CH, Jin J

J. Med. Chem.. doi: 10.1021/acs.jmedchem.6b01244

Publication date: November 2, 2016

PMID: 27804297

Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.

Xu C, Ishikawa H, Izumikawa K, Li L, He H, Nobe Y, Yamauchi Y, Shahjee HM, Wu XH, Yu YT, Isobe T, Takahashi N, Min J

Genes Dev.. 30(21):2376-2390. doi: 10.1101/gad.288340.116

Publication date: November 1, 2016

PMID: 27881600

Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.

Nakazawa Hewitt S, Dranow DM, Horst BG, Abendroth JA, Forte B, Hallyburton I, Jansen C, Baragana B, Choi R, Rivas KL, Hulverson MA, Dumais M, Edwards TE, Lorimer DD, Fairlamb AH, Gray DW, Read KD, Lehane AM, Kirk K, Myler PJ, Wernimont A, Walpole CS, Stacy R, Barrett LK, Gilbert IH, Van Voorhis WC

ACS Infect Dis. doi: 10.1021/acsinfecdis.6b00078

Publication date: October 31, 2016

PMID: 27798837

Characterizing Plexin GTPase Interactions Using Gel Filtration, Surface Plasmon Resonance Spectrometry, and Isothermal Titration Calorimetry.

Muller-Greven J, Kim S, Hota PK, Tong Y, Borthakur S, Buck M

Methods Mol. Biol.. 1493:89-105. doi: 10.1007/978-1-4939-6448-2_6

Publication date: October 28, 2016

PMID: 27787844

Development of chemical probes for the bromodomains of BRD7 and BRD9.

Clark PG, Dixon DJ, Brennan PE

Drug Discov Today Technol. 19:73-80. doi: 10.1016/j.ddtec.2016.05.002

Publication date: October 23, 2016

PMID: 27769361

Solution NMR structure of the HLTF HIRAN domain: a conserved module in SWI2/SNF2 DNA damage tolerance proteins.

Korzhnev DM, Neculai D, Dhe-Paganon S, Arrowsmith CH, Bezsonova I

J. Biomol. NMR. doi: 10.1007/s10858-016-0070-9

Publication date: October 22, 2016

PMID: 27771863

An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-specificity Tyrosine Phosphorylation-Regulated Kinases.

Chaikuad A, Diharce J, Schröder M, Foucourt A, Leblond B, Casagrande AS, Desire L, Bonnet P, Knapp S, Besson T

J. Med. Chem.. doi: 10.1021/acs.jmedchem.6b01083

Publication date: October 21, 2016

PMID: 27766861

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. 2(10):e1600760. doi: 10.1126/sciadv.1600760

Publication date: October 21, 2016

PMID: 27757418

The substrate binding domains of human SIAH E3 ubiquitin ligases are now crystal clear.

Zhang Q, Wang Z, Hou F, Harding R, Huang X, Dong A, Walker JR, Tong Y

Biochim. Biophys. Acta. doi: 10.1016/j.bbagen.2016.10.019

Publication date: October 21, 2016

PMID: 27776223

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.. doi: 10.1038/cdd.2016.83

Publication date: October 7, 2016

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.. doi: 10.1021/acs.jmedchem.6b00774

Publication date: September 27, 2016

PMID: 27673482

The oncometabolite 2-hydroxyglutarate activates the mTOR signalling pathway.

Carbonneau M, M Gagné L, Lalonde ME, Germain MA, Motorina A, Guiot MC, Secco B, Vincent EE, Tumber A, Hulea L, Bergeman J, Oppermann U, Jones RG, Laplante M, Topisirovic I, Petrecca K, Huot MÉ, Mallette FA

Nat Commun. 7:12700. doi: 10.1038/ncomms12700

Publication date: September 15, 2016

PMID: 27624942

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.. doi: 10.1021/acs.jmedchem.6b00355

Publication date: September 12, 2016

PMID: 27617704

Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.

Hughes SJ, Barnard L, Mottaghi K, Tempel W, Antoshchenko T, Hong BS, Allali-Hassani A, Smil D, Vedadi M, Strauss E, Park HW

ACS Infect Dis. 2(9):627-641. doi: 10.1021/acsinfecdis.6b00090

Publication date: September 9, 2016

PMID: 27759386

Hemi-methylated DNA regulates DNA methylation inheritance through allosteric activation of H3 ubiquitylation by UHRF1.

Harrison JS, Cornett EM, Goldfarb D, DaRosa PA, Li ZM, Yan F, Dickson BM, Guo AH, Cantu DV, Kaustov L, Brown PJ, Arrowsmith CH, Erie DA, Major MB, Klevit RE, Krajewski K, Kuhlman B, Strahl BD, Rothbart SB

Elife. 5:. doi: 10.7554/eLife.17101

Publication date: September 7, 2016

PMID: 27595565

Advantages and pitfalls of an extended gene panel for investigating complex neurometabolic phenotypes.

Reid ES, Papandreou A, Drury S, Boustred C, Yue WW, Wedatilake Y, Beesley C, Jacques TS, Anderson G, Abulhoul L, Broomfield A, Cleary M, Grunewald S, Varadkar SM, Lench N, Rahman S, Gissen P, Clayton PT, Mills PB

Brain. doi: 10.1093/brain/aww221

Publication date: September 6, 2016

PMID: 27604308

A proposal for validation of antibodies.

Uhlen M, Bandrowski A, Carr S, Edwards A, Ellenberg J, Lundberg E, Rimm DL, Rodriguez H, Hiltke T, Snyder M, Yamamoto T

Nat. Methods. doi: 10.1038/nmeth.3995

Publication date: September 5, 2016

PMID: 27595404

Discovery of a Potent, Selective and Cell-active Dual Inhibitor of Protein Arginine Methyltransferase 4 and Protein Arginine Methyltransferase 6.

Shen Y, Szewczyk MM, Eram MS, Smil D, Kaniskan HÜ, de Freitas RF, Senisterra G, Li F, Schapira M, Brown PJ, Arrowsmith CH, Barsyte-Lovejoy D, Liu J, Vedadi M, Jin J

J. Med. Chem.. doi: 10.1021/acs.jmedchem.6b01033

Publication date: September 1, 2016

PMID: 27584694

Generation and analyses of human synthetic antibody libraries and their application for protein microarrays.

Säll A, Walle M, Wingren C, Müller S, Nyman T, Vala A, Ohlin M, Borrebaeck CA, Persson H

Protein Eng. Des. Sel.. doi: 10.1093/protein/gzw042

Publication date: September 1, 2016

PMID: 27590051

A Suite of Biochemical Assays for Screening RNA Methyltransferase BCDIN3D.

Blazer LL, Li F, Kennedy S, Zheng YG, Arrowsmith CH, Vedadi M

J Biomol Screen. doi: 10.1177/1087057116666276

Publication date: August 31, 2016

PMID: 27581605

Targeting the Bromome: are we there yet?

Müller S

Future Med Chem. doi: 10.4155/fmc-2016-0136

Publication date: August 31, 2016

PMID: 27578167

Covalent targeting of remote cysteine residues to develop CDK12 and CDK13 inhibitors.

Zhang T, Kwiatkowski N, Olson CM, Dixon-Clarke SE, Abraham BJ, Greifenberg AK, Ficarro SB, Elkins JM, Liang Y, Hannett NM, Manz T, Hao M, Bartkowiak B, Greenleaf AL, Marto JA, Geyer M, Bullock AN, Young RA, Gray NS

Nat. Chem. Biol.. doi: 10.1038/nchembio.2166

Publication date: August 29, 2016

PMID: 27571479

Chemical Inhibition of Protein Methyltransferases.

Schapira M

Cell Chem Biol. doi: 10.1016/j.chembiol.2016.07.014

Publication date: August 24, 2016

PMID: 27569753

Structural Basis of Intracellular TGF-β Signaling: Receptors and Smads.

Chaikuad A, Bullock AN

Cold Spring Harb Perspect Biol. doi: 10.1101/cshperspect.a022111

Publication date: August 22, 2016

PMID: 27549117

Structural biology: HDAC6 finally crystal clear.

Liu Y, Li L, Min J

Nat. Chem. Biol.. 12(9):660-1. doi: 10.1038/nchembio.2158

Publication date: August 18, 2016

PMID: 27538024

A germline mutation of CDKN2A and a novel RPLP1-C19MC fusion detected in a rare melanotic neuroectodermal tumor of infancy: a case report.

Barnes DJ, Hookway E, Athanasou N, Kashima T, Oppermann U, Hughes S, Swan D, Lueerssen D, Anson J, Hassan AB

BMC Cancer. 16(1):629. doi: 10.1186/s12885-016-2669-3

Publication date: August 12, 2016

PMID: 27519597

Epigenetic Blockade of Neoplastic Transformation by Bromodomain and Extra-Terminal (BET) Domain Protein Inhibitor JQ-1.

Zhang C, Su ZY, Wang L, Shu L, Yang Y, Guo Y, Pung D, Bountra C, Kong AN

Biochem. Pharmacol.. doi: 10.1016/j.bcp.2016.08.009

Publication date: August 9, 2016

PMID: 27520485

Accelerating target discovery using pre-competitive open science-patients need faster innovation more than anyone else.

Low E, Bountra C, Lee WH

Ecancermedicalscience. 10:ed57. doi: 10.3332/ecancer.2016.ed57

Publication date: August 3, 2016

PMID: 27594912

Structural basis of arginine asymmetrical dimethylation by PRMT6.

Wu H, Zheng W, Eram MS, Vhuiyan M, Dong A, Zeng H, He H, Brown P, Frankel A, Vedadi M, Luo M, Min J

Biochem. J.. doi: 10.1042/BCJ20160537

Publication date: August 1, 2016

PMID: 27480107

Structure-Activity Relationship Studies for Enhancer of Zeste Homologue 2 (EZH2) and Enhancer of Zeste Homologue 1 (EZH1) Inhibitors.

Yang X, Li F, Konze KD, Meslamani J, Ma A, Brown PJ, Zhou MM, Arrowsmith CH, Kaniskan HÜ, Vedadi M, Jin J

J. Med. Chem.. doi: 10.1021/acs.jmedchem.6b00855

Publication date: July 28, 2016

PMID: 27468126

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. doi: 10.1016/j.ccell.2016.06.020

Publication date: July 27, 2016

PMID: 27478041