8DNJ

Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76

Summary for 8DNJ

• Entry DOI: 10.2210/pdb8dnj/pdb
• Related: 8DNI
• Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... (5 entities in total)
• Functional Keywords: inhibitor, gtpase, signaling protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 3
• Total formula weight: 66090.77

Authors

Mohr, C. (deposition date: 2022-07-11, release date: 2022-08-17, Last modification date: 2023-10-18)

• Primary citation: Zhu, K.,Li, C.,Wu, K.Y.,Mohr, C.,Li, X.,Lanman, B.; Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.; J.Comput.Aided Mol.Des., 36:591-604, 2022; PubMed: 35930206; DOI: 10.1007/s10822-022-00467-0

Experimental method

X-RAY DIFFRACTION (1.81 Å)