Publications | Structural Genomics Consortium

SGC-GAK-1: a chemical probe for cyclin G associated kinase (GAK).

Asquith CRM, Berger BT, Wan J, Bennett JM, Capuzzi SJ, Crona DJ, Drewry D, East MP, Elkins JM, Fedorov O, Godoi PH, Hunter DM, Knapp S, Müller S, Torrice CD, Wells CI, Earp HS, Willson T, Zuercher W

J. Med. Chem.. doi: 10.1021/acs.jmedchem.8b01213

Publication date: February 15, 2019

PMID: 30768268

Response to: 'Potential roles for tenascin in (very) early diagnosis and treatment of rheumatoid arthritis' by Cutolo et al.

Aungier S, Cartwright AJ, Schwenzer A, Marshall J, Dyson MR, Slavny P, Parthiban K, Karatt-Vellatt A, Sahbudin I, Culbert E, Hextall P, Clanchy FI, Williams R, Marsden BD, Raza K, Filer A, Buckley CD, McCafferty J, Midwood KS

Ann. Rheum. Dis.. doi: 10.1136/annrheumdis-2019-215108

Publication date: February 12, 2019

PMID: 30755416

Ideation and implementation of an open science drug discovery business model - M4K Pharma.

Morgan MR, Roberts OG, Edwards AM

Wellcome Open Res. 3:154. doi: 10.12688/wellcomeopenres.14947.1

Publication date: February 2, 2019

PMID: 30705971

4'-Phosphopantetheine and long acyl chain-dependent interactions are integral to human mitochondrial acyl carrier protein function.

Majmudar JD, Feng X, Fox NG, Nabhan JF, Towle T, Ma T, Gooch R, Bulawa C, Yue WW, Martelli A

Medchemcomm. 10(2):209-220. doi: 10.1039/c8md00489g

Publication date: February 1, 2019

PMID: 30881609

Open notebook science can maximize impact for rare disease projects.

Harding RJ

PLoS Biol. 17(1):e3000120. doi: 10.1371/journal.pbio.3000120

Publication date: January 29, 2019

PMID: 30689629

New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.

Tazarki H, Zeinyeh W, Esvan YJ, Knapp S, Chatterjee D, Schröder M, Joerger AC, Khiari J, Josselin B, Baratte B, Bach S, Ruchaud S, Anizon F, Giraud F, Moreau P

Eur J Med Chem. 166:304-317. doi: 10.1016/j.ejmech.2019.01.052

Publication date: January 26, 2019

PMID: 30731399

Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.

Whitesell L, Robbins N, Huang DS, McLellan CA, Shekhar-Guturja T, LeBlanc EV, Nation CS, Hui R, Hutchinson A, Collins C, Chatterjee S, Trilles R, Xie JL, Krysan DJ, Lindquist S, Porco JA, Tatu U, Brown LE, Pizarro J, Cowen LE

Nat Commun. 10(1):402. doi: 10.1038/s41467-018-08248-w

Publication date: January 24, 2019

PMID: 30679438

Genetic, structural, and functional analysis of pathogenic variations causing methylmalonyl-CoA epimerase deficiency.

Heuberger K, Bailey HJ, Burda P, Chaikuad A, Krysztofinska E, Suormala T, Bürer C, Lutz S, Fowler B, Froese DS, Yue WW, Baumgartner MR

Biochim Biophys Acta Mol Basis Dis. doi: 10.1016/j.bbadis.2019.01.021

Publication date: January 22, 2019

PMID: 30682498

Identification of a novel biomarker for pyridoxine-dependent epilepsy: Implications for newborn screening.

Wempe MF, Kumar A, Kumar V, Choi YJ, Swanson MA, Friederich MW, Hyland K, Yue WW, Van Hove JLK, Coughlin CR

J. Inherit. Metab. Dis.. doi: 10.1002/jimd.12059

Publication date: January 21, 2019

PMID: 30663059

A chemical biology toolbox to study protein methyltransferases and epigenetic signaling.

Scheer S, Ackloo S, Medina TS, Schapira M, Li F, Ward JA, Lewis AM, Northrop JP, Richardson PL, Kaniskan HÜ, Shen Y, Liu J, Smil D, McLeod D, Zepeda-Velazquez CA, Luo M, Jin J, Barsyte-Lovejoy D, Huber KVM, De Carvalho DD, Vedadi M, Zaph C, Brown PJ, Arrowsmith CH

Nat Commun. 10(1):19. doi: 10.1038/s41467-018-07905-4

Publication date: January 3, 2019

PMID: 30604761

Structural insights into trans-histone regulation of H3K4 methylation by unique histone H4 binding of MLL3/4.

Liu Y, Qin S, Chen TY, Lei M, Dhar SS, Ho JC, Dong A, Loppnau P, Li Y, Lee MG, Min J

Nat Commun. 10(1):36. doi: 10.1038/s41467-018-07906-3

Publication date: January 3, 2019

PMID: 30604749

UbiHub: a data hub for the explorers of ubiquitination pathways.

Liu L, Damerell DR, Koukouflis L, Tong Y, Marsden BD, Schapira M

Bioinformatics. doi: 10.1093/bioinformatics/bty1067

Publication date: January 2, 2019

PMID: 30601939

WNT Activates the AAK1 Kinase to Promote Clathrin-Mediated Endocytosis of LRP6 and Establish a Negative Feedback Loop.

Agajanian MJ, Walker MP, Axtman AD, Ruela-de-Sousa RR, Serafin DS, Rabinowitz AD, Graham DM, Ryan MB, Tamir T, Nakamichi Y, Gammons MV, Bennett JM, Couñago RM, Drewry DH, Elkins JM, Gileadi C, Gileadi O, Godoi PH, Kapadia N, Müller S, Santiago AS, Sorrell FJ, Wells CI, Fedorov O, Willson TM, Zuercher WJ, Major MB

Cell Rep. 26(1):79-93.e8. doi: 10.1016/j.celrep.2018.12.023

Publication date: January 2, 2019

PMID: 30605688

An Activity-Based Probe Targeting Non-Catalytic, Highly Conserved Amino Acid Residues within Bromodomains.

D'Ascenzio M, Pugh KM, Konietzny R, Berridge G, Tallant C, Hashem S, Monteiro O, Thomas JR, Schirle M, Knapp S, Marsden B, Fedorov O, Bountra C, Kessler BM, Brennan PE

Angew. Chem. Int. Ed. Engl.. doi: 10.1002/anie.201807825

Publication date: December 27, 2018

PMID: 30589164

Single-Molecule Protein Phosphorylation and Dephosphorylation by Nanopore Enzymology.

Harrington L, Alexander LT, Knapp S, Bayley H

ACS Nano. doi: 10.1021/acsnano.8b07697

Publication date: December 27, 2018

PMID: 30588793

Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.

Němec V, Hylsová M, Maier L, Flegel J, Sievers S, Ziegler S, Schroeder M, Berger BT, Chaikuad A, Valčíková B, Uldrijan S, Drápela S, Souček K, Waldmann H, Knapp S, Paruch K

Angew. Chem. Int. Ed. Engl.. doi: 10.1002/anie.201810312

Publication date: December 20, 2018

PMID: 30569600

Patients with anti-Jo1 antibodies display a characteristic IgG Fc-glycan profile which is further enhanced in anti-Jo1 autoantibodies.

Fernandes-Cerqueira C, Renard N, Notarnicola A, Wigren E, Gräslund S, Zubarev RA, Lundberg IE, Lundström SL

Sci Rep. 8(1):17958. doi: 10.1038/s41598-018-36395-z

Publication date: December 18, 2018

PMID: 30560888

Targeting early changes in the synovial microenvironment: a new class of immunomodulatory therapy?

Aungier SR, Cartwright AJ, Schwenzer A, Marshall JL, Dyson MR, Slavny P, Parthiban K, Karatt-Vellatt A, Sahbudin I, Culbert E, Hextall P, Clanchy FI, Williams R, Marsden BD, Raza K, Filer A, Buckley CD, McCafferty J, Midwood KS

Ann. Rheum. Dis.. doi: 10.1136/annrheumdis-2018-214294

Publication date: December 14, 2018

PMID: 30552174

Guiding COMPASS: Dpy-30 Positions SET1/MLL Epigenetic Signaling.

Dilworth D, Arrowsmith CH

Structure. 26(12):1567-1570. doi: 10.1016/j.str.2018.11.010

Publication date: December 4, 2018

PMID: 30517884

Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains.

Lambert JP, Picaud S, Fujisawa T, Hou H, Savitsky P, Uusküla-Reimand L, Gupta GD, Abdouni H, Lin ZY, Tucholska M, Knight JDR, Gonzalez-Badillo B, St-Denis N, Newman JA, Stucki M, Pelletier L, Bandeira N, Wilson MD, Filippakopoulos P, Gingras AC

Mol. Cell. doi: 10.1016/j.molcel.2018.11.006

Publication date: December 1, 2018

PMID: 30554943

Arginine does not rescue p.Q188R mutation deleterious effect in classic galactosemia.

Haskovic M, Derks B, van der Ploeg L, Trommelen J, Nyakayiru J, van Loon LJC, Mackinnon S, Yue WW, Peake RWA, Zha L, Demirbas D, Qi W, Huang X, Berry GT, Achten J, Bierau J, Rubio-Gozalbo ME, Coelho AI

Orphanet J Rare Dis. 13(1):212. doi: 10.1186/s13023-018-0954-8

Publication date: November 26, 2018

PMID: 30477550

Allosteric Modulation of Binding Specificity by Alternative Packing of Protein Cores.

Ben-David M, Huang H, Sun MGF, Corbi-Verge C, Petsalaki E, Liu K, Gfeller D, Garg P, Tempel W, Sochirca I, Shifman JM, Davidson A, Min J, Kim PM, Sidhu SS

J. Mol. Biol.. doi: 10.1016/j.jmb.2018.11.018

Publication date: November 21, 2018

PMID: 30471255

Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex.

Ivanochko D, Halabelian L, Henderson E, Savitsky P, Jain H, Marcon E, Duan S, Hutchinson A, Seitova A, Barsyte-Lovejoy D, Filippakopoulos P, Greenblatt J, Lima-Fernandes E, Arrowsmith CH

Nucleic Acids Res.. doi: 10.1093/nar/gky1192

Publication date: November 20, 2018

PMID: 30462309

Design, Synthesis and Characterization of Covalent KDM5 Inhibitors.

Vazquez-Rodriguez S, Wright M, Rogers CM, Cribbs A, Velupillai S, Philpott M, Lee H, Dunford JE, Huber KVM, Robers MB, Vasta JD, Thezenas ML, Bonham S, Kessler B, Bennett J, Fedorov O, Raynaud F, Donovan A, Blagg J, Bavetsias V, Oppermann U, Bountra C, Kawamura A, Brennan P

Angew. Chem. Int. Ed. Engl.. doi: 10.1002/anie.201810179

Publication date: November 15, 2018

PMID: 30431220

Selective inhibitors of a human prolyl hydroxylase (OGFOD1) involved in ribosomal decoding.

Thinnes CC, Lohans CT, Abboud MI, Yeh TL, Tumber A, Nowak RP, Attwood M, Cockman ME, Oppermann U, Loenarz C, Schofield C

Chemistry. doi: 10.1002/chem.201804790

Publication date: November 14, 2018

PMID: 30427558

An asparagine/glycine switch governs product specificity of human N-terminal methyltransferase NTMT2.

Dong C, Dong G, Li L, Zhu L, Tempel W, Liu Y, Huang R, Min J

Commun Biol. 1:183. doi: 10.1038/s42003-018-0196-2

Publication date: November 13, 2018

PMID: 30417120

A structure-based approach towards identification of inhibitory fragments for eleven-nineteen-leukemia protein (ENL).

Heidenreich D, Moustakim M, Schmidt J, Merk D, Brennan PE, Fedorov O, Chaikuad A, Knapp S

J. Med. Chem.. doi: 10.1021/acs.jmedchem.8b01457

Publication date: November 8, 2018

PMID: 30407816

A Pseudo-Kinase Double Act.

Preuß F, Mathea S, Knapp S

Structure. 26(11):1564. doi: 10.1016/j.str.2018.10.019

Publication date: November 6, 2018

PMID: 30403994

Achieving a Good Crystal System for Crystallographic X-Ray Fragment Screening.

Collins PM, Douangamath A, Talon R, Dias A, Brandao-Neto J, Krojer T, von Delft F

Meth. Enzymol.. 610:251-264. doi: 10.1016/bs.mie.2018.09.027

Publication date: November 6, 2018

PMID: 30390801

Target Identification Using Chemical Probes.

Moustakim M, Felce SL, Zaarour N, Farnie G, McCann FE, Brennan PE

Meth. Enzymol.. 610:27-58. doi: 10.1016/bs.mie.2018.09.013

Publication date: November 6, 2018

PMID: 30390803

Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.

Dong YY, Wang H, Pike ACW, Cochrane SA, Hamedzadeh S, Wyszyński FJ, Bushell SR, Royer SF, Widdick DA, Sajid A, Boshoff HI, Park Y, Lucas R, Liu WM, Lee SS, Machida T, Minall L, Mehmood S, Belaya K, Liu WW, Chu A, Shrestha L, Mukhopadhyay SMM, Strain-Damerell C, Chalk R, Burgess-Brown NA, Bibb MJ, Barry Iii CE, Robinson CV, Beeson D, Davis BG, Carpenter EP

Cell. 175(4):1045-1058.e16. doi: 10.1016/j.cell.2018.10.037

Publication date: November 1, 2018

PMID: 30388443

MYC Protein Interactome Profiling Reveals Functionally Distinct Regions that Cooperate to Drive Tumorigenesis.

Kalkat M, Resetca D, Lourenco C, Chan PK, Wei Y, Shiah YJ, Vitkin N, Tong Y, Sunnerhagen M, Done SJ, Boutros PC, Raught B, Penn LZ

Mol. Cell. doi: 10.1016/j.molcel.2018.09.031

Publication date: October 30, 2018

PMID: 30415952

Oxidation resistance 1 regulates post-translational modifications of peroxiredoxin 2 in the cerebellum.

Svistunova DM, Simon JN, Rembeza E, Crabtree M, Yue WW, Oliver PL, Finelli MJ

Free Radic. Biol. Med.. doi: 10.1016/j.freeradbiomed.2018.10.447

Publication date: October 30, 2018

PMID: 30389497

Identification of a cellularly active SIRT6 allosteric activator.

Huang Z, Zhao J, Deng W, Chen Y, Shang J, Song K, Zhang L, Wang C, Lu S, Yang X, He B, Min J, Hu H, Tan M, Xu J, Zhang Q, Zhong J, Sun X, Mao Z, Lin H, Xiao M, Chin YE, Jiang H, Xu Y, Chen G, Zhang J

Nat. Chem. Biol.. doi: 10.1038/s41589-018-0150-0

Publication date: October 29, 2018

PMID: 30374165

Binding Kinetics Survey of the Drugged Kinome.

Georgi V, Schiele F, Berger BT, Steffen A, Marin Zapata PA, Briem H, Menz S, Preuße C, Vasta JD, Robers MB, Brands M, Knapp S, Fernández-Montalván AE

J. Am. Chem. Soc.. doi: 10.1021/jacs.8b08048

Publication date: October 26, 2018

PMID: 30362749

Discovery of a Selective Inhibitor for the YEATS Domains of ENL/AF9.

Christott T, Bennett J, Coxon C, Monteiro O, Giroud C, Beke V, Felce SL, Gamble V, Gileadi C, Poda G, Al-Awar R, Farnie G, Fedorov O

SLAS Discov. 2472555218809904. doi: 10.1177/2472555218809904

Publication date: October 25, 2018

PMID: 30359161

Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis.

Bilyard MK, Bailey HJ, Raich L, Gafitescu MA, Machida T, Iglésias-Fernández J, Lee SS, Spicer CD, Rovira C, Yue WW, Davis BG

Nature. doi: 10.1038/s41586-018-0644-7

Publication date: October 24, 2018

PMID: 30356213

Characterization of inv(3) cell line OCI-AML-20 with stroma dependent CD34 expression.

Luciani GM, Xie L, Dilworth D, Tierens A, Moskovitz Y, Murison A, Szewczyk MM, Mitchell A, Lupien M, Shlush L, Dick JE, Arrowsmith CH, Barsyte-Lovejoy D, Minden MD

Exp. Hematol.. doi: 10.1016/j.exphem.2018.10.006

Publication date: October 20, 2018

PMID: 30352278

Structure of a glutamine donor mimicking inhibitory peptide shaped by the catalytic cleft of microbial transglutaminase.

Juettner NE, Schmelz S, Kraemer A, Knapp S, Becker B, Kolmar H, Scrima A, Fuchsbauer HL

FEBS J.. doi: 10.1111/febs.14678

Publication date: October 15, 2018

PMID: 30318745

Arginine methylation of FOXP3 is crucial for the suppressive function of regulatory T cells.

Kagoya Y, Saijo H, Matsunaga Y, Guo T, Saso K, Anczurowski M, Wang CH, Sugata K, Murata K, Butler MO, Arrowsmith CH, Hirano N

J. Autoimmun.. doi: 10.1016/j.jaut.2018.09.011

Publication date: October 11, 2018

PMID: 30318155

MYC Interacts with the G9a Histone Methyltransferase to Drive Transcriptional Repression and Tumorigenesis.

Tu WB, Shiah YJ, Lourenco C, Mullen PJ, Dingar D, Redel C, Tamachi A, Ba-Alawi W, Aman A, Al-Awar R, Cescon DW, Haibe-Kains B, Arrowsmith CH, Raught B, Boutros PC, Penn LZ

Cancer Cell. 34(4):579-595.e8. doi: 10.1016/j.ccell.2018.09.001

Publication date: October 8, 2018

PMID: 30300580

Discovery of an MLLT1/3 YEATS Domain Chemical Probe.

Moustakim M, Christott T, Monteiro OP, Bennett J, Giroud C, Ward J, Rogers CM, Smith P, Panagakou I, Saez LD, Felce SL, Gamble V, Gileadi C, Halidi N, Heidenreich D, Chaikuad A, Knapp S, Huber KVM, Farnie G, Heer J, Manevski N, Poda G, Al-Awar R, Dixon DJ, Fedorov O, Brennan P

Angew. Chem. Int. Ed. Engl.. doi: 10.1002/anie.201810617

Publication date: October 5, 2018

PMID: 30288907

Structural Analysis of Inhibitor Binding to CAMKK1 Identifies Features Necessary for Design of Specific Inhibitors.

Santiago ADS, Couñago RM, Ramos PZ, Godoi PHC, Massirer KB, Gileadi O, Elkins JM

Sci Rep. 8(1):14800. doi: 10.1038/s41598-018-33043-4

Publication date: October 4, 2018

PMID: 30287839

Covalent inhibitors of EGFR family protein kinases induce degradation of human Tribbles 2 (TRIB2) pseudokinase in cancer cells.

Foulkes DM, Byrne DP, Yeung W, Shrestha S, Bailey FP, Ferries S, Eyers CE, Keeshan K, Wells C, Drewry DH, Zuercher WJ, Kannan N, Eyers PA

Sci Signal. 11(549):. doi: 10.1126/scisignal.aat7951

Publication date: September 25, 2018

PMID: 30254057

Nut Directs p300-Dependent, Genome-Wide H4 Hyperacetylation in Male Germ Cells.

Shiota H, Barral S, Buchou T, Tan M, Couté Y, Charbonnier G, Reynoird N, Boussouar F, Gérard M, Zhu M, Bargier L, Puthier D, Chuffart F, Bourova-Flin E, Picaud S, Filippakopoulos P, Goudarzi A, Ibrahim Z, Panne D, Rousseaux S, Zhao Y, Khochbin S

Cell Rep. 24(13):3477-3487.e6. doi: 10.1016/j.celrep.2018.08.069

Publication date: September 25, 2018

PMID: 30257209