7R0M

KRasG12C in complex with GDP and JDQ443

Summary for 7R0M

• Entry DOI: 10.2210/pdb7r0m/pdb
• Descriptor: GTPase KRas, MAGNESIUM ION, 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, ... (5 entities in total)
• Functional Keywords: krasg12c, gtpase, gdp bound, cysteine mutation, covalent binding, signaling protein, small g-protein, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 40745.29

Authors

Ostermann, N. (deposition date: 2022-02-02, release date: 2022-04-27, Last modification date: 2022-06-15)

• Primary citation: Weiss, A.,Lorthiois, E.,Barys, L.,Beyer, K.S.,Bomio-Confaglia, C.,Burks, H.,Chen, X.,Cui, X.,de Kanter, R.,Dharmarajan, L.,Fedele, C.,Gerspacher, M.,Guthy, D.A.,Head, V.,Jaeger, A.,Nunez, E.J.,Kearns, J.D.,Leblanc, C.,Maira, S.M.,Murphy, J.,Oakman, H.,Ostermann, N.,Ottl, J.,Rigollier, P.,Roman, D.,Schnell, C.,Sedrani, R.,Shimizu, T.,Stringer, R.,Vaupel, A.,Voshol, H.,Wessels, P.,Widmer, T.,Wilcken, R.,Xu, K.,Zecri, F.,Farago, A.F.,Cotesta, S.,Brachmann, S.M.; Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C.; Cancer Discov, 12:1500-1517, 2022; PubMed: 35404998; DOI: 10.1158/2159-8290.CD-22-0158

Experimental method

X-RAY DIFFRACTION (1.611 Å)