8UN3

KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one)

Summary for 8UN3

Entry DOI	10.2210/pdb8un3/pdb
Descriptor	GTPase KRas, 1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, ... (7 entities in total)
Functional Keywords	gtpase, kras, g13d, oncogenic, hydrolase, oncoprotein-inhibitor complex, oncoprotein/inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	4
Total formula weight	81330.42
Authors	Ultsch, M.H. (deposition date: 2023-10-18, release date: 2023-12-20, Last modification date: 2024-01-31)
Primary citation	Nilewski, C.,Labadie, S.,Wei, B.,Malhotra, S.,Do, S.,Gazzard, L.,Liu, L.,Shao, C.,Murray, J.,Izrayelit, Y.,Gustafson, A.,Endres, N.F.,Ma, F.,Ye, X.,Zou, J.,Evangelista, M. Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors. Acs Med.Chem.Lett., 15:21-28, 2024 Cited by PubMed: 38229748 DOI: 10.1021/acsmedchemlett.3c00478 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.07 Å)

Structure validation