7R0Q

KRasG12C in complex with GDP and compound 3

7R0Q の概要

• エントリーDOI: 10.2210/pdb7r0q/pdb
• 分子名称: GTPase KRas, MAGNESIUM ION, ~{N}-[4-[3,5-dimethyl-4-(5-methyl-2~{H}-indazol-4-yl)pyrazol-1-yl]phenyl]propanamide, ... (5 entities in total)
• 機能のキーワード: krasg12c, gtpase, gdp bound, cysteine mutation, covalent binding, signaling protein, small g-protein, hydrolase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 40411.79

構造登録者

Ostermann, N. (登録日: 2022-02-02, 公開日: 2022-04-27, 最終更新日: 2024-01-31)

• 主引用文献: 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; PubMed: 35404998; DOI: 10.1158/2159-8290.CD-22-0158

実験手法

X-RAY DIFFRACTION (1.95 Å)