6T5U

KRasG12C ligand complex

Summary for 6T5U

• Entry DOI: 10.2210/pdb6t5u/pdb
• Descriptor: V-Ki-ras2 Kirsten rat sarcoma viral oncogene homolog, isoform CRA_b, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... (5 entities in total)
• Functional Keywords: gtpase, signaling protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 40047.88

Authors

Phillips, C. (deposition date: 2019-10-17, release date: 2020-02-19, Last modification date: 2024-05-01)

• Primary citation: Kettle, J.G.,Bagal, S.K.,Bickerton, S.,Bodnarchuk, M.S.,Breed, J.,Carbajo, R.J.,Cassar, D.J.,Chakraborty, A.,Cosulich, S.,Cumming, I.,Davies, M.,Eatherton, A.,Evans, L.,Feron, L.,Fillery, S.,Gleave, E.S.,Goldberg, F.W.,Harlfinger, S.,Hanson, L.,Howard, M.,Howells, R.,Jackson, A.,Kemmitt, P.,Kingston, J.K.,Lamont, S.,Lewis, H.J.,Li, S.,Liu, L.,Ogg, D.,Phillips, C.,Polanski, R.,Robb, G.,Robinson, D.,Ross, S.,Smith, J.M.,Tonge, M.,Whiteley, R.,Yang, J.,Zhang, L.,Zhao, X.; Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.; J.Med.Chem., 63:4468-4483, 2020; PubMed: 32023060; DOI: 10.1021/acs.jmedchem.9b01720

Experimental method

X-RAY DIFFRACTION (1.72 Å)