Publications | Structural Genomics Consortium

Scaling of an antibody validation procedure enables quantification of antibody performance in major research applications.

Ayoubi R, Ryan J, Biddle MS, Alshafie W, Fotouhi M, Bolivar SG, Ruiz Moleon V, Eckmann P, Worrall D, McDowell I, Southern K, Reintsch W, Durcan TM, Brown C, Bandrowski A, Virk H, Edwards AM, McPherson P, Laflamme C

Elife. 12:. doi: 10.7554/eLife.91645

Publication date: November 23, 2023

PMID: 37995198

An atypical GABARAP binding module drives the pro-autophagic potential of the AML-associated NPM1c variant.

Mende H, Khatri A, Lange C, Poveda-Cuevas SA, Tascher G, Covarrubias-Pinto A, LÃ¶hr F, Koschade SE, Dikic I, MÃ¼nch C, Bremm A, Brunetti L, Brandts CH, Uckelmann H, DÃ¶tsch V, Rogov VV, Bhaskara RM, MÃ¼ller S

Cell Rep. 42(12):113484. doi: 10.1016/j.celrep.2023.113484

Publication date: November 22, 2023

PMID: 37999976

Open Source Antibiotics: Simple Diarylimidazoles Are Potent against Methicillin-Resistant Staphylococcus aureus.

Klug DM, Tse EG, Silva DG, Cao Y, Charman SA, Chauhan J, Crighton E, Dichiara M, Drake C, Drewry D, da Silva Emery F, Ferrins L, Graves L, Hopkins E, Kresina TAC, Lorente-MacÃas Ã, Perry B, Phipps R, Quiroga B, Quotadamo A, Sabatino GN, Sama A, SchÃ¤tzlein A, Simpson QJ, Steele J, Shanu-Wilson J, SjÃ¶ P, Stapleton P, Swain CJ, Vaideanu A, Xie H, Zuercher W, Todd MH

ACS Infect Dis. doi: 10.1021/acsinfecdis.3c00286

Publication date: November 22, 2023

PMID: 37991879

From cultivation to cancer: formation of N-nitrosamines and other carcinogens in smokeless tobacco and their mutagenic implications.

Stanfill SB, Hecht SS, Joerger AC, GonzÃ¡lez PJ, Maia LB, Rivas MG, Moura JJG, Gupta AK, Le Brun NE, Crack JC, Hainaut P, Sparacino-Watkins C, Tyx RE, Pillai SD, Zaatari GS, Henley SJ, Blount BC, Watson CH, Kaina B, Mehrotra R

Crit Rev Toxicol. 1-44. doi: 10.1080/10408444.2023.2264327

Publication date: November 21, 2023

PMID: 38050998

The PB1 and the ZZ domain of the autophagy receptor p62/SQSTM1 regulate the interaction of p62/SQSTM1 with the autophagosome protein LC3B.

Alcober-Boquet L, Zang T, Pietsch L, Suess E, Hartmann M, Proschak E, Gross LZF, Sacerdoti M, Zeuzem S, Rogov VV, Leroux AE, Piiper A, Biondi RM

Protein Sci. e4840. doi: 10.1002/pro.4840

Publication date: November 20, 2023

PMID: 37984441

Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.

Boby ML, Fearon D, Ferla M, Filep M, Koekemoer L, Robinson MC, Chodera JD, Lee AA, London N, von Delft A, von Delft F, Achdout H, Aimon A, Alonzi DS, Arbon R, Aschenbrenner JC, Balcomb BH, Bar-David E, Barr H, Ben-Shmuel A, Bennett J, Bilenko VA, Borden B, Boulet P, Bowman GR, Brewitz L, Brun J, Bvnbs S, Calmiano M, Carbery A, Carney DW, Cattermole E, Chang E, Chernyshenko E, Clyde A, Coffland JE, Cohen G, Cole JC, Contini A, Cox L, Croll TI, Cvitkovic M, De Jonghe S, Dias A, Donckers K, Dotson DL, Douangamath A, Duberstein S, Dudgeon T, Dunnett LE, Eastman P, Erez N, Eyermann CJ, Fairhead M, Fate G, Fedorov O, Fernandes RS, Ferrins L, Foster R, Foster H, Fraisse L, Gabizon R, García-Sastre A, Gawriljuk VO, Gehrtz P, Gileadi C, Giroud C, Glass WG, Glen RC, Glinert I, Godoy AS, Gorichko M, Gorrie-Stone T, Griffen EJ, Haneef A, Hassell Hart S, Heer J, Henry M, Hill M, Horrell S, Huang QYJ, Huliak VD, Hurley MFD, Israely T, Jajack A, Jansen J, Jnoff E, Jochmans D, John T, Kaminow B, Kang L, Kantsadi AL, Kenny PW, Kiappes JL, Kinakh SO, Kovar B, Krojer T, La VNT, Laghnimi-Hahn S, Lefker BA, Levy H, Lithgo RM, Logvinenko IG, Lukacik P, Macdonald HB, MacLean EM, Makower LL, Malla TR, Marples PG, Matviiuk T, McCorkindale W, McGovern BL, Melamed S, Melnykov KP, Michurin O, Miesen P, Mikolajek H, Milne BF, Minh D, Morris A, Morris GM, Morwitzer MJ, Moustakas D, Mowbray CE, Nakamura AM, Neto JB, Neyts J, Nguyen L, Noske GD, Oleinikovas V, Oliva G, Overheul GJ, Owen CD, Pai R, Pan J, Paran N, Payne AM, Perry B, Pingle M, Pinjari J, Politi B, Powell A, Pšenák V, Pulido I, Puni R, Rangel VL, Reddi RN, Rees P, Reid SP, Reid L, Resnick E, Ripka EG, Robinson RP, Rodriguez-Guerra J, Rosales R, Rufa DA, Saar K, Saikatendu KS, Salah E, Schaller D, Scheen J, Schiffer CA, Schofield CJ, Shafeev M, Shaikh A, Shaqra AM, Shi J, Shurrush K, Singh S, Sittner A, Sjö P, Skyner R, Smalley A, Smeets B, Smilova MD, Solmesky LJ, Spencer J, Strain-Damerell C, Swamy V, Tamir H, Taylor JC, Tennant RE, Thompson W, Thompson A, Tomásio S, Tomlinson CWE, Tsurupa IS, Tumber A, Vakonakis I, van Rij RP, Vangeel L, Varghese FS, Vaschetto M, Vitner EB, Voelz V, Volkamer A, Walsh MA, Ward W, Weatherall C, Weiss S, White KM, Wild CF, Witt KD, Wittmann M, Wright N, Yahalom-Ronen Y, Yilmaz NK, Zaidmann D, Zhang I, Zidane H, Zitzmann N, Zvornicanin SN

Science. 382(6671):eabo7201. doi: 10.1126/science.abo7201

Publication date: November 10, 2023

PMID: 37943932

Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.

Reinecke M, Brear P, Vornholz L, Berger BT, Seefried F, Wilhelm S, Samaras P, Gyenis L, Litchfield DW, MÃ©dard G, MÃ¼ller S, Ruland J, HyvÃ¶nen M, Wilhelm M, Kuster B

Nat Chem Biol. doi: 10.1038/s41589-023-01459-3

Publication date: October 30, 2023

PMID: 37904048

Fused Tetrahydroquinolines Are Interfering with Your Assay.

Bashore FM, Annor-Gyamfi J, Du Y, Katis V, Nwogbo F, Flax RG, Frye SV, Pearce KH, Fu H, Willson TM, Drewry DH, Axtman AD

J Med Chem. doi: 10.1021/acs.jmedchem.3c01277

Publication date: October 24, 2023

PMID: 37874947

Optimization of 3-Cyano-7-cyclopropylamino-pyrazolo[1,5-a]pyrimidines toward the Development of an In Vivo Chemical Probe for CSNK2A.

Yang X, Ong HW, Dickmander RJ, Smith JL, Brown JW, Tao W, Chang E, Moorman NJ, Axtman AD, Willson TM

ACS Omega. 8(42):39546-39561. doi: 10.1021/acsomega.3c05377

Publication date: October 24, 2023

PMID: 37901516

Dual Inhibition of Mycobacterium tuberculosis and the Host TGFBR1 by an Anilinoquinazoline.

Nandakumar M, Ollodart A, Fleck N, Kapadia NR, Frando A, Boradia V, Smith JL, Chen J, Zuercher WJ, Willson TM, Grundner C

J Med Chem. doi: 10.1021/acs.jmedchem.3c01273

Publication date: October 23, 2023

PMID: 37871287

Wnt/Î²-catenin and NFÎºB signaling synergize to trigger growth-factor-free regeneration of adult primary human hepatocytes.

Oliva-Vilarnau N, Beusch CM, Sabatier P, Sakaraki E, Tjaden A, Graetz L, BÃ¼ttner FA, Dorotea D, Nguyen M, Bergqvist F, SundstrÃ¶m Y, MÃ¼ller S, Zubarev RA, Schulte G, Tredup C, Gramignoli R, Tietge UJF, Lauschke VM

Hepatology. doi: 10.1097/HEP.0000000000000648

Publication date: October 23, 2023

PMID: 37870288

Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.

Du Y, Bradshaw WJ, Leisner TM, Annor-Gyamfi JK, Qian K, Bashore FM, Sikdar A, Nwogbo FO, Ivanov AA, Frye SV, Gileadi O, Brennan PE, Levey AI, Axtman AD, Pearce KH, Fu H, Katis VL

J Biol Chem. 105382. doi: 10.1016/j.jbc.2023.105382

Publication date: October 20, 2023

PMID: 37866628

Methods for computer-assisted PROTAC design.

Rovers E, Schapira M

Methods Enzymol. 690:311-340. doi: 10.1016/bs.mie.2023.06.020

Publication date: October 20, 2023

PMID: 37858533

Structure of LRRK1 and mechanisms of autoinhibition and activation.

Reimer JM, Dickey AM, Lin YX, Abrisch RG, Mathea S, Chatterjee D, Fay EJ, Knapp S, Daugherty MD, Reck-Peterson SL, Leschziner AE

Nat Struct Mol Biol. doi: 10.1038/s41594-023-01109-1

Publication date: October 19, 2023

PMID: 37857821

Improving data quality in chemical biology.

Knapp S, MÃ¼ller S

Nat Chem Biol. doi: 10.1038/s41589-023-01449-5

Publication date: October 16, 2023

PMID: 37845552

DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.

Strubel A, MÃ¼nick P, Hartmann O, Chaikuad A, Dreier B, Schaefer JV, Gebel J, Osterburg C, Tuppi M, SchÃ¤fer B, Buck V, Rosenfeldt M, Knapp S, PlÃ¼ckthun A, Diefenbacher ME, DÃ¶tsch V

Cell Death Dis. 14(10):674. doi: 10.1038/s41419-023-06213-0

Publication date: October 12, 2023

PMID: 37828008

Identification of potential inhibitors of casein kinase 2 alpha of Plasmodium falciparum with potent in vitro activity.

Tomaz KCP, Tavella TA, Borba JVB, Salazar-Alvarez LC, Levandoski JE, Mottin M, Sousa BKP, Moreira-Filho JT, Almeida VM, Clementino LC, Bourgard C, Massirer KB, CouÃ±ago RM, Andrade CH, Sunnerhagen P, Bilsland E, Cassiano GC, Costa FTM

Antimicrob Agents Chemother. e0058923. doi: 10.1128/aac.00589-23

Publication date: October 11, 2023

PMID: 37819090

Structural Basis for Highly Selective Class II Alpha Phosphoinositide-3-Kinase Inhibition.

KÃ¼cÃ¼kdisli M, Bel-Abed H, Cirillo D, Lo WT, EfrÃ©m NL, Horatscheck A, Perepelittchenko L, Prokofeva P, Ehret TAL, Radetzki S, Neuenschwander M, Specker E, MÃ©dard G, MÃ¼ller S, Wilhelm S, Kuster B, von Kries JP, Haucke V, NazarÃ© M

J Med Chem. doi: 10.1021/acs.jmedchem.3c01319

Publication date: October 11, 2023

PMID: 37819647

Antagonistic roles of canonical and Alternative-RPA in disease-associated tandem CAG repeat instability.

Gall-Duncan T, Luo J, Jurkovic CM, Fischer LA, Fujita K, Deshmukh AL, Harding RJ, Tran S, Mehkary M, Li V, Leib DE, Chen R, Tanaka H, Mason AG, LÃ©vesque D, Khan M, Razzaghi M, Prasolava T, Lanni S, Sato N, Caron MC, Panigrahi GB, Wang P, Lau R, Castel AL, Masson JY, Tippett L, Turner C, Spies M, La Spada AR, Campos EI, Curtis MA, Boisvert FM, Faull RLM, Davidson BL, Nakamori M, Okazawa H, Wold MS, Pearson CE

Cell. doi: 10.1016/j.cell.2023.09.008

Publication date: October 5, 2023

PMID: 37827155

Discovery of a 53BP1 Small Molecule Antagonist Using a Focused DNA-Encoded Library Screen.

Shell DJ, Foley CA, Wang Q, Smith CM, Guduru SKR, Zeng H, Dong A, Norris-Drouin JL, Axtman M, Hardy PB, Gupta G, Halabelian L, Frye SV, James LI, Pearce KH

J Med Chem. doi: 10.1021/acs.jmedchem.3c01192

Publication date: October 2, 2023

PMID: 37782247

A machine learning and live-cell imaging tool kit uncovers small molecules induced phospholipidosis.

Hu H, Tjaden A, Knapp S, Antolin AA, MÃ¼ller S

Cell Chem Biol. doi: 10.1016/j.chembiol.2023.09.003

Publication date: September 27, 2023

PMID: 37797617

Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.

Fnaiche A, MÃ©lin L, SuÃ¡rez NG, Paquin A, Vu V, Li F, Allali-Hassani A, Bolotokova A, Allemand F, Gelin M, Cotelle P, Woo S, LaPlante SR, Barsyte-Lovejoy D, Santhakumar V, Vedadi M, Guichou JF, Annabi B, Gagnon A

Bioorg Med Chem Lett. 129488. doi: 10.1016/j.bmcl.2023.129488

Publication date: September 26, 2023

PMID: 37770003

Discovery of Nedd4 auto-ubiquitination inhibitors.

Yong D, Green SR, Ghiabi P, Santhakumar V, Vedadi M

Sci Rep. 13(1):16057. doi: 10.1038/s41598-023-42997-z

Publication date: September 25, 2023

PMID: 37749144

Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.

Inniss NL, Kozic J, Li F, Rosas-Lemus M, Minasov G, RybÃ¡Äek J, Zhu Y, Pohl R, Shuvalova L, RulÃÅ¡ek L, Brunzelle JS, BednÃ¡rovÃ¡ L, Å tefek M, KormanÃk JM, Andris E, Å ebestÃk J, Li ASM, Brown PJ, Schmitz U, Saikatendu K, Chang E, Nencka R, Vedadi M, Satchell KJF

ACS Infect Dis. doi: 10.1021/acsinfecdis.3c00203

Publication date: September 20, 2023

PMID: 37728236

RNF8 ubiquitylation of XRN2 facilitates R-loop resolution and restrains genomic instability in BRCA1 mutant cells.

Krishnan R, Lapierre M, Gautreau B, Nixon KCJ, El Ghamrasni S, Patel PS, Hao J, Yerlici VT, Guturi KKN, St-Germain J, Mateo F, Saad A, Algouneh A, Earnshaw R, Shili D, Seitova A, Miller J, Khosraviani N, Penn A, Ho B, Sanchez O, Hande MP, Masson JY, Brown GW, Alaoui-Jamali M, Reynolds JJ, Arrowsmith C, Raught B, Pujana MA, Mekhail K, Stewart GS, Hakem A, Hakem R

Nucleic Acids Res. doi: 10.1093/nar/gkad733

Publication date: September 11, 2023

PMID: 37697435

Structure-Reactivity Studies of 2-Sulfonylpyrimidines Allow Selective Protein Arylation.

Pichon MM, Drelinkiewicz D, Lozano D, Moraru R, Hayward LJ, Jones M, McCoy MA, Allstrum-Graves S, Balourdas DI, Joerger AC, Whitby RJ, Goldup SM, Wells N, Langley GJ, Herniman JM, Baud MGJ

Bioconjug Chem. doi: 10.1021/acs.bioconjchem.3c00322

Publication date: September 1, 2023

PMID: 37657082

The RavA-ViaA chaperone complex modulates bacterial persistence through its association with the fumarate reductase enzyme.

Bhandari V, Reichheld SE, Houliston S, Lemak A, Arrowsmith CH, Sharpe S, Houry WA

J Biol Chem. 105199. doi: 10.1016/j.jbc.2023.105199

Publication date: September 1, 2023

PMID: 37660904

How many kinases are druggable? A review of our current understanding.

Anderson B, Rosston P, Ong HW, Hossain MA, Davis-Gilbert ZW, Drewry DH

Biochem J. 480(16):1331-1363. doi: 10.1042/BCJ20220217

Publication date: August 30, 2023

PMID: 37642371

Investigation of the Host Kinome Response to Coronavirus Infection Reveals PI3K/mTOR Inhibitors as Betacoronavirus Antivirals.

Fritch EJ, Mordant AL, Gilbert TSK, Wells CI, Yang X, Barker NK, Madden EA, Dinnon KH, Hou YJ, Tse LV, Castillo IN, Sims AC, Moorman NJ, Lakshmanane P, Willson TM, Herring LE, Graves LM, Baric RS

J Proteome Res. doi: 10.1021/acs.jproteome.3c00182

Publication date: August 27, 2023

PMID: 37634194

The chromatin and single-cell transcriptional landscapes of CD4 T cells in inflammatory bowel disease link risk loci with a proinflammatory Th17 cell population.

Medina TS, Murison A, Smith M, Kinker GS, Chakravarthy A, Vitiello GAF, Turpin W, Shen SY, Yau HL, Sarmento OF, Faubion W, Lupien M, Silverberg MS, Arrowsmith CH, De Carvalho DD

Front Immunol. 14:1161901. doi: 10.3389/fimmu.2023.1161901

Publication date: August 21, 2023

PMID: 37600767

SETD7 functions as a transcription repressor in prostate cancer via methylating FOXA1.

Wang Z, Petricca J, Liu M, Zhang S, Chen S, Li M, Besschetnova A, Patalano S, Venkataramani K, Siegfried KR, Macoska JA, Han D, Gao S, Vedadi M, Arrowsmith CH, He HH, Cai C

Proc Natl Acad Sci U S A. 120(33):e2220472120. doi: 10.1073/pnas.2220472120

Publication date: August 15, 2023

PMID: 37549269

Autoantibodies against the melanoma differentiation-associated protein 5 in patients with dermatomyositis target the helicase domains.

Van Gompel E, Demirdal D, Fernandes-Cerqueira C, Horuluoglu B, Galindo-Feria A, Wigren E, GrÃ¤slund S, De Langhe E, Benveniste O, Notarnicola A, Chemin K, Lundberg IE

Rheumatology (Oxford). doi: 10.1093/rheumatology/kead400

Publication date: August 12, 2023

PMID: 37572295