7R0N
KRasG12C in complex with GDP and compound 2
Summary for 7R0N
Entry DOI | 10.2210/pdb7r0n/pdb |
Descriptor | GTPase KRas, MAGNESIUM ION, ~{N}-[4-[2-bromanyl-6-(2-hydroxyethylamino)pyridin-4-yl]sulfanylphenyl]propanamide, ... (5 entities in total) |
Functional Keywords | krasg12c, gtpase, gdp bound, cysteine mutation, covalent binding, signaling protein, small g-protein, hydrolase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 20216.59 |
Authors | Ostermann, N. (deposition date: 2022-02-02, release date: 2022-04-27, Last modification date: 2024-05-01) |
Primary citation | Weiss, A.,Lorthiois, E.,Barys, L.,Beyer, K.S.,Bomio-Confaglia, C.,Burks, H.,Chen, X.,Cui, X.,de Kanter, R.,Dharmarajan, L.,Fedele, C.,Gerspacher, M.,Guthy, D.A.,Head, V.,Jaeger, A.,Nunez, E.J.,Kearns, J.D.,Leblanc, C.,Maira, S.M.,Murphy, J.,Oakman, H.,Ostermann, N.,Ottl, J.,Rigollier, P.,Roman, D.,Schnell, C.,Sedrani, R.,Shimizu, T.,Stringer, R.,Vaupel, A.,Voshol, H.,Wessels, P.,Widmer, T.,Wilcken, R.,Xu, K.,Zecri, F.,Farago, A.F.,Cotesta, S.,Brachmann, S.M. Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C. Cancer Discov, 12:1500-1517, 2022 Cited by PubMed: 35404998DOI: 10.1158/2159-8290.CD-22-0158 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.2 Å) |
Structure validation
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