8AQ5

KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16

Summary for 8AQ5

• Entry DOI: 10.2210/pdb8aq5/pdb
• Descriptor: GTPase KRas, MAGNESIUM ION, 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, ... (5 entities in total)
• Functional Keywords: k-ras g12c, gtpase, gdp bound, cysteine mutation, covalent binding, signaling protein, small g-protein, switch2 pocket, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 20294.29

Authors

Ostermann, N. (deposition date: 2022-08-11, release date: 2022-12-07, Last modification date: 2024-01-31)

• Primary citation: Lorthiois, E.,Gerspacher, M.,Beyer, K.S.,Vaupel, A.,Leblanc, C.,Stringer, R.,Weiss, A.,Wilcken, R.,Guthy, D.A.,Lingel, A.,Bomio-Confaglia, C.,Machauer, R.,Rigollier, P.,Ottl, J.,Arz, D.,Bernet, P.,Desjonqueres, G.,Dussauge, S.,Kazic-Legueux, M.,Lozac'h, M.A.,Mura, C.,Sorge, M.,Todorov, M.,Warin, N.,Zink, F.,Voshol, H.,Zecri, F.J.,Sedrani, R.C.,Ostermann, N.,Brachmann, S.M.,Cotesta, S.; JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors.; J.Med.Chem., 65:16173-16203, 2022; PubMed: 36399068; DOI: 10.1021/acs.jmedchem.2c01438

Experimental method

X-RAY DIFFRACTION (1.8 Å)