8UN4
KRAS-G13D-GDP in complex with Cpd36 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(4-((dimethylamino)methyl)-5-methylpyridin-2-yl)prop-2-en-1-one)
Summary for 8UN4
Entry DOI | 10.2210/pdb8un4/pdb |
Descriptor | GTPase KRas, MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... (5 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 | 1 |
Total formula weight | 20618.55 |
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: 38229748DOI: 10.1021/acsmedchemlett.3c00478 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.57 Å) |
Structure validation
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