8AQ5
KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16
Summary for 8AQ5
Entry DOI | 10.2210/pdb8aq5/pdb |
Descriptor | GTPase KRas, MAGNESIUM ION, 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, ... (5 entities in total) |
Functional Keywords | k-ras g12c, gtpase, gdp bound, cysteine mutation, covalent binding, signaling protein, small g-protein, switch2 pocket, hydrolase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 20294.29 |
Authors | Ostermann, N. (deposition date: 2022-08-11, release date: 2022-12-07, Last modification date: 2024-01-31) |
Primary citation | Lorthiois, E.,Gerspacher, M.,Beyer, K.S.,Vaupel, A.,Leblanc, C.,Stringer, R.,Weiss, A.,Wilcken, R.,Guthy, D.A.,Lingel, A.,Bomio-Confaglia, C.,Machauer, R.,Rigollier, P.,Ottl, J.,Arz, D.,Bernet, P.,Desjonqueres, G.,Dussauge, S.,Kazic-Legueux, M.,Lozac'h, M.A.,Mura, C.,Sorge, M.,Todorov, M.,Warin, N.,Zink, F.,Voshol, H.,Zecri, F.J.,Sedrani, R.C.,Ostermann, N.,Brachmann, S.M.,Cotesta, S. JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors. J.Med.Chem., 65:16173-16203, 2022 Cited by PubMed: 36399068DOI: 10.1021/acs.jmedchem.2c01438 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
Download full validation report![Download](/newweb/media/icons/dl.png)
![Download](/newweb/media/icons/dl.png)