Publications | Structural Genomics Consortium

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. 5:. doi: 10.7554/eLife.13909

Publication date: March 29, 2016

PMID: 27021569

Molecular basis of classic galactosemia from the structure of human galactose 1-phosphate uridylyltransferase.

McCorvie TJ, Kopec J, Pey AL, Fitzpatrick F, Patel D, Chalk R, Streetha L, Yue WW

Hum. Mol. Genet.. doi: 10.1093/hmg/ddw091

Publication date: March 22, 2016

PMID: 27005423

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.. doi: 10.1021/acschembio.6b00043

Publication date: March 21, 2016

PMID: 26999302

Reproducibility: Team up with industry.

Edwards A

Nature. 531(7594):299-301. doi: 10.1038/531299a

Publication date: March 17, 2016

PMID: 26983524

Dual targeting of bromodomain and extra-terminal domain proteins, and WNT or MAPK signaling, inhibits c-MYC expression and proliferation of colorectal cancer cells.

Tögel L, Nightingale R, Chueh AC, Jayachandran A, Tran H, Phesse T, Wu R, Sieber OM, Arango D, Dhillon AS, Dawson MA, Diez-Dacal B, Gahman TC, Filippakopoulos P, Shiau AK, Mariadason JM

Mol. Cancer Ther.. doi: 10.1158/1535-7163.MCT-15-0724

Publication date: March 16, 2016

PMID: 26983878

Expanding the Genotypic Spectrum of Perrault syndrome.

Demain LA, Urquhart JE, O'Sullivan J, Williams SG, Bhaskar SS, Jenkinson EM, Lourenco CM, Heiberg A, Pearce SH, Shalev SA, Yue WW, Mackinnon S, Munro KJ, Newbury-Ecob R, Becker K, Kim MJ, O' Keefe RT, Newman WG

Clin. Genet.. doi: 10.1111/cge.12776

Publication date: March 11, 2016

PMID: 26970254

Identification of small molecule inhibitors that block the Toxoplasma gondii rhoptry kinase ROP18.

Simpson C, Jones NG, Hull-Ryde EA, Kireev D, Stashko M, Tang K, Janetka J, Wildman SA, Zuercher WJ, Schapira M, Hui R, Janzen W, Sibley LD

ACS Infect Dis. 2(3):194-206. doi: 10.1021/acsinfecdis.5b00102

Publication date: March 11, 2016

PMID: 27379343

Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).

Getlik M, Smil D, Zepeda-Velázquez C, Bolshan Y, Poda G, Wu H, Dong A, Kuznetsova E, Marcellus R, Senisterra G, Dombrovski L, Hajian T, Kiyota T, Schapira M, Arrowsmith CH, Brown PJ, Vedadi M, Al-Awar R

J. Med. Chem.. doi: 10.1021/acs.jmedchem.5b01630

Publication date: March 9, 2016

PMID: 26958703

Biochemical Screening of Five Protein Kinases from Plasmodium falciparum against 14,000 Cell-Active Compounds.

Crowther GJ, Hillesland HK, Keyloun KR, Reid MC, Lafuente-Monasterio MJ, Ghidelli-Disse S, Leonard SE, He P, Jones JC, Krahn MM, Mo JS, Dasari KS, Fox AM, Boesche M, El Bakkouri M, Rivas KL, Leroy D, Hui R, Drewes G, Maly DJ, Van Voorhis WC, Ojo KK

PLoS ONE. 11(3):e0149996. doi: 10.1371/journal.pone.0149996

Publication date: March 2, 2016

PMID: 26934697

System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.

Zhang W, Wu KP, Sartori MA, Kamadurai HB, Ordureau A, Jiang C, Mercredi PY, Murchie R, Hu J, Persaud A, Mukherjee M, Li N, Doye A, Walker JR, Sheng Y, Hao Z, Li Y, Brown KR, Lemichez E, Chen J, Tong Y, Harper JW, Moffat J, Rotin D, Schulman BA, Sidhu SS

Mol. Cell. doi: 10.1016/j.molcel.2016.02.005

Publication date: March 2, 2016

PMID: 26949039

A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.

Cox OB, Krojer T, Collins P, Monteiro O, Talon R, Bradley A, Fedorov O, Amin J, Marsden BD, Spencer J, von Delft F, Brennan PE

Chem Sci. 7(3):2322-2330. doi: 10.1039/c5sc03115j

Publication date: March 1, 2016

PMID: 29910922

An overview of heavy-atom derivatization of protein crystals.

Pike AC, Garman EF, Krojer T, von Delft F, Carpenter EP

Acta Crystallogr D Struct Biol. 72(Pt 3):303-18. doi: 10.1107/S2059798316000401

Publication date: March 1, 2016

PMID: 26960118

Family-wide characterization of histone binding abilities of human CW domain containing proteins.

Liu Y, Tempel W, Zhang Q, Liang X, Loppnau P, Qin S, Min J

J. Biol. Chem.. doi: 10.1074/jbc.M116.718973

Publication date: March 1, 2016

PMID: 26933034

Structural Basis for Substrate Preference of SMYD3, A SET Domain-containing Protein Lysine Methyltransferase.

Fu W, Liu N, Qiao Q, Wang M, Min J, Zhu B, Xu RM, Yang N

J. Biol. Chem.. doi: 10.1074/jbc.M115.709832

Publication date: February 29, 2016

PMID: 26929412

Structural basis for a novel interaction between TXNIP and Vav2.

Liu S, Wu X, Zong M, Tempel W, Loppnau P, Liu Y

FEBS Lett.. doi: 10.1002/1873-3468.12110

Publication date: February 25, 2016

PMID: 26919541

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.. doi: 10.1021/acs.jmedchem.5b01865

Publication date: February 25, 2016

PMID: 26914985

Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding.

Newman JA, Cooper CD, Roos AK, Aitkenhead H, Oppermann UC, Cho HJ, Osman R, Gileadi O

PLoS ONE. 11(2):e0148762. doi: 10.1371/journal.pone.0148762

Publication date: February 24, 2016

PMID: 26910052

Identification of a small-molecule ligand of the epigenetic reader protein Spindlin1 via a versatile screening platform.

Wagner T, Greschik H, Burgahn T, Schmidtkunz K, Schott AK, McMillan J, Baranauskienė L, Xiong Y, Fedorov O, Jin J, Oppermann U, Matulis D, Schüle R, Jung M

Nucleic Acids Res.. doi: 10.1093/nar/gkw089

Publication date: February 17, 2016

PMID: 26893353

Chemical Biology Approaches for Characterization of Epigenetic Regulators.

Barsyte-Lovejoy D, Szewczyk MM, Prinos P, Lima-Fernandes E, Ackloo S, Arrowsmith CH

Meth. Enzymol.. 574:79-103. doi: 10.1016/bs.mie.2016.01.011

Publication date: February 16, 2016

PMID: 27423858

Apollo-NADP(+): a spectrally tunable family of genetically encoded sensors for NADP(.)

Cameron WD, Bui CV, Hutchinson A, Loppnau P, Gräslund S, Rocheleau JV

Nat. Methods. doi: 10.1038/nmeth.3764

Publication date: February 15, 2016

PMID: 26878383

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. 2(2):e1501257. doi: 10.1126/sciadv.1501257

Publication date: February 5, 2016

PMID: 26989780

Frapid: achieving full automation of FRAP for chemical probe validation.

Yapp C, Rogers C, Savitsky P, Philpott M, Müller S

Biomed Opt Express. 7(2):422-41. doi: 10.1364/BOE.7.000422

Publication date: February 1, 2016

PMID: 26977352

Lessons from ten years of crystallization experiments at the SGC.

Ng JT, Dekker C, Reardon P, von Delft F

Acta Crystallogr D Struct Biol. 72(Pt 2):224-235. doi: 10.1107/S2059798315024687

Publication date: February 1, 2016

PMID: 26894670

Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor.

Ferreira de Freitas R, Eram MS, Szewczyk MM, Steuber H, Smil D, Wu H, Li F, Senisterra G, Dong A, Brown PJ, Hitchcock M, Moosmayer D, Stegmann CM, Egner U, Arrowsmith C, Barsyte-Lovejoy D, Vedadi M, Schapira M

J. Med. Chem.. doi: 10.1021/acs.jmedchem.5b01772

Publication date: January 29, 2016

PMID: 26824386

Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.

Sorrell FJ, Szklarz M, Abdul Azeez KR, Elkins JM, Knapp S

Structure. doi: 10.1016/j.str.2015.12.015

Publication date: January 29, 2016

PMID: 26853940

Identification of LACTB2, a metallo-β-lactamase protein, as a human mitochondrial endoribonuclease.

Levy S, Allerston CK, Liveanu V, Habib MR, Gileadi O, Schuster G

Nucleic Acids Res.. doi: 10.1093/nar/gkw050

Publication date: January 29, 2016

PMID: 26826708

A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.

Stuckey JI, Dickson BM, Cheng N, Liu Y, Norris JL, Cholensky SH, Tempel W, Qin S, Huber KG, Sagum C, Black K, Li F, Huang XP, Roth BL, Baughman BM, Senisterra G, Pattenden SG, Vedadi M, Brown PJ, Bedford MT, Min J, Arrowsmith CH, James LI, Frye SV

Nat. Chem. Biol.. doi: 10.1038/nchembio.2007

Publication date: January 25, 2016

PMID: 26807715

EXD2 promotes homologous recombination by facilitating DNA end resection.

Broderick R, Nieminuszczy J, Baddock HT, Deshpande RA, Gileadi O, Paull TT, McHugh PJ, Niedzwiedz W

Nat. Cell Biol.. doi: 10.1038/ncb3303

Publication date: January 25, 2016

PMID: 26807646

Open Access Could Transform Drug Discovery: A Case Study of JQ1.

Arshad Z, Brindley D, Smith J, Roberts M, Lee WH, Davies B, Bure K, Hollander GA, Dopson S, Bountra C

Expert Opin Drug Discov. doi: 10.1517/17460441.2016.1144587

Publication date: January 21, 2016

PMID: 26791045

The Intersection of Structural and Chemical Biology - An Essential Synergy.

Zuercher WJ, Elkins JM, Knapp S

Cell Chem Biol. 23(1):173-82. doi: 10.1016/j.chembiol.2015.12.005

Publication date: January 21, 2016

PMID: 26933743

Accurate calculation of the absolute free energy of binding for drug molecules.

Aldeghi M, Heifetz A, Bodkin MJ, Knapp S, Biggin PC

Chem Sci. 7(1):207-218. doi: 10.1039/c5sc02678d

Publication date: January 14, 2016

PMID: 26798447

8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.

Bavetsias V, Lanigan RM, Ruda GF, Atrash B, McLaughlin MG, Tumber A, Mok NY, Le Bihan YV, Dempster S, Boxall KJ, Jeganathan F, Hatch SB, Savitsky P, Velupillai S, Krojer T, England KS, Sejberg J, Thai C, Donovan A, Pal A, Scozzafava G, Bennett JM, Kawamura A, Johansson C, Szykowska A, Gileadi C, Burgess-Brown NA, von Delft F, Oppermann U, Walters Z, Shipley J, Raynaud FI, Westaway SM, Prinjha RK, Fedorov O, Burke R, Schofield CJ, Westwood IM, Bountra C, Müller S, van Montfort RL, Brennan PE, Blagg J

J. Med. Chem.. doi: 10.1021/acs.jmedchem.5b01635

Publication date: January 7, 2016

PMID: 26741168

Genome-wide profiling of histone H3 lysine 27 and lysine 4 trimethylation in multiple myeloma reveals the importance of Polycomb gene targeting and highlights EZH2 as a potential therapeutic target.

Agarwal P, Alzrigat M, Párraga AA, Enroth S, Singh U, Ungerstedt J, Österborg A, Brown PJ, Ma A, Jin J, Nilsson K, Öberg F, Kalushkova A, Jernberg-Wiklund H

Oncotarget. doi: 10.18632/oncotarget.6843

Publication date: January 7, 2016

PMID: 26755663

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.. doi: 10.1021/acs.jmedchem.5b01708

Publication date: January 6, 2016

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.. doi: 10.1021/acs.jmedchem.5b01719

Publication date: January 5, 2016

PMID: 26731131

Use of Methylmalonyl-CoA epimerase in Enhancing Crotonase Stereoselectivity.

Hamed RB, Gomez-Castellanos JR, Froese DS, Krysztofinska E, Yue WW, Schofield CJ

Chembiochem. doi: 10.1002/cbic.201500644

Publication date: December 30, 2015

PMID: 26716911

Recent Progress in Histone Demethylase Inhibitors.

McAllister TE, England KS, Hopkinson RJ, Brennan PE, Kawamura A, Schofield CJ

J. Med. Chem.. doi: 10.1021/acs.jmedchem.5b01758

Publication date: December 28, 2015

PMID: 26710088

Profiling of Small Molecules by Chemical Proteomics.

Huber KV, Superti-Furga G

Methods Mol. Biol.. 1394:211-8. doi: 10.1007/978-1-4939-3341-9_15

Publication date: December 25, 2015

PMID: 26700051

A Radioactivity-Based Assay for Screening Human m6A-RNA Methyltransferase, METTL3-METTL14 Complex, and Demethylase ALKBH5.

Li F, Kennedy S, Hajian T, Gibson E, Seitova A, Xu C, Arrowsmith CH, Vedadi M

J Biomol Screen. doi: 10.1177/1087057115623264

Publication date: December 23, 2015

PMID: 26701100

Docking and Linking of Fragments To Discover Jumonji Histone Demethylase Inhibitors.

Korczynska M, Le DD, Younger N, Gregori-Puigjané E, Tumber A, Krojer T, Velupillai S, Gileadi C, Nowak RP, Iwasa E, Pollock SB, Ortiz Torres I, Oppermann U, Shoichet BK, Fujimori DG

J. Med. Chem.. doi: 10.1021/acs.jmedchem.5b01527

Publication date: December 23, 2015

PMID: 26699912

SMN and symmetric arginine dimethylation of RNA polymerase II C-terminal domain control termination.

Yanling Zhao D, Gish G, Braunschweig U, Li Y, Ni Z, Schmitges FW, Zhong G, Liu K, Li W, Moffat J, Vedadi M, Min J, Pawson TJ, Blencowe BJ, Greenblatt JF

Nature. doi: 10.1038/nature16469

Publication date: December 23, 2015

PMID: 26700805

Role of reverse phenotyping in interpretation of next generation sequencing data and a review of INPP5E related disorders.

de Goede C, Yue WW, Yan G, Ariyaratnam S, Chandler KE, Downes L, Khan N, Mohan M, Lowe M, Banka S

Eur. J. Paediatr. Neurol.. doi: 10.1016/j.ejpn.2015.11.012

Publication date: December 18, 2015

PMID: 26748598

Human ISPD Is a Cytidyltransferase Required for Dystroglycan O-Mannosylation.

Riemersma M, Froese DS, van Tol W, Engelke UF, Kopec J, van Scherpenzeel M, Ashikov A, Krojer T, von Delft F, Tessari M, Buczkowska A, Swiezewska E, Jae LT, Brummelkamp TR, Manya H, Endo T, van Bokhoven H, Yue WW, Lefeber DJ

Chem. Biol.. 22(12):1643-52. doi: 10.1016/j.chembiol.2015.10.014

Publication date: December 17, 2015

PMID: 26687144

Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway.

Newman JA, Cooper CD, Aitkenhead H, Gileadi O

Structure. 23(12):2319-30. doi: 10.1016/j.str.2015.10.014

Publication date: December 1, 2015

PMID: 26636256

Structures of the CDK12/CycK complex with AMP-PNP reveal a flexible C-terminal kinase extension important for ATP binding.

Dixon-Clarke SE, Elkins JM, Cheng SW, Morin GB, Bullock AN

Sci Rep. 5:17122. doi: 10.1038/srep17122

Publication date: November 26, 2015

PMID: 26597175

Evidence That Compound I Is the Active Species in Both the Hydroxylase and Lyase Steps by Which P450scc Converts Cholesterol to Pregnenolone: EPR/ENDOR/Cryoreduction/Annealing Studies.

Davydov R, Strushkevich N, Smil D, Yantsevich A, Gilep A, Usanov S, Hoffman BM

Biochemistry. doi: 10.1021/acs.biochem.5b00903

Publication date: November 25, 2015

PMID: 26603348

MLL5 Orchestrates a Cancer Self-Renewal State by Repressing the Histone Variant H3.3 and Globally Reorganizing Chromatin.

Gallo M, Coutinho FJ, Vanner RJ, Gayden T, Mack SC, Murison A, Remke M, Li R, Takayama N, Desai K, Lee L, Lan X, Park NI, Barsyte-Lovejoy D, Smil D, Sturm D, Kushida MM, Head R, Cusimano MD, Bernstein M, Clarke ID, Dick JE, Pfister SM, Rich JN, Arrowsmith CH, Taylor MD, Jabado N, Bazett-Jones DP, Lupien M, Dirks PB

Cancer Cell. doi: 10.1016/j.ccell.2015.10.005

Publication date: November 25, 2015

PMID: 26626085

A Potent, Selective and Cell-active Inhibitor of Human Type I Protein Arginine Methyltransferases.

Eram MS, Shen Y, Szewczyk M, Wu H, Senisterra G, Li F, Butler KV, Kaniskan HÜ, Speed BA, Dela Seña C, Dong A, Zeng H, Schapira M, Brown PJ, Arrowsmith CH, Barsyte-Lovejoy D, Liu J, Vedadi M, Jin J

ACS Chem. Biol.. doi: 10.1021/acschembio.5b00839

Publication date: November 24, 2015

PMID: 26598975