8B78

KRasG12C ligand complex

Summary for 8B78

• Entry DOI: 10.2210/pdb8b78/pdb
• Descriptor: GTPase KRas, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... (5 entities in total)
• Functional Keywords: inhibitor complex, signaling protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 20105.05

Authors

Phillips, C.,Breed, J. (deposition date: 2022-09-29, release date: 2023-07-12, Last modification date: 2024-02-07)

• Primary citation: Kettle, J.G.,Bagal, S.K.,Barratt, D.,Bodnarchuk, M.S.,Boyd, S.,Braybrooke, E.,Breed, J.,Cassar, D.J.,Cosulich, S.,Davies, M.,Davies, N.L.,Deng, C.,Eatherton, A.,Evans, L.,Feron, L.J.,Fillery, S.,Gleave, E.S.,Goldberg, F.W.,Cortes Gonzalez, M.A.,Guerot, C.,Haider, A.,Harlfinger, S.,Howells, R.,Jackson, A.,Johnstrom, P.,Kemmitt, P.D.,Koers, A.,Kondrashov, M.,Lamont, G.M.,Lamont, S.,Lewis, H.J.,Liu, L.,Mylrea, M.,Nash, S.,Niedbala, M.J.,Peter, A.,Phillips, C.,Pike, K.,Raubo, P.,Robb, G.R.,Ross, S.,Sanders, M.G.,Schou, M.,Simpson, I.,Steward, O.; Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration.; J.Med.Chem., 66:9147-9160, 2023; PubMed: 37395055; DOI: 10.1021/acs.jmedchem.3c00746

Experimental method

X-RAY DIFFRACTION (1.11 Å)