7O70

KRasG12C ligand complex

7O70 の概要

• エントリーDOI: 10.2210/pdb7o70/pdb
• 分子名称: GTPase KRas, 1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2, MAGNESIUM ION, ... (6 entities in total)
• 機能のキーワード: inhibitor, signaling protein
• 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: 40694.53

構造登録者

Phillips, C. (登録日: 2021-04-12, 公開日: 2022-04-20, 最終更新日: 2022-05-25)

• 主引用文献: Kettle, J.G.,Bagal, S.K.,Bickerton, S.,Bodnarchuk, M.S.,Boyd, S.,Breed, J.,Carbajo, R.J.,Cassar, D.J.,Chakraborty, A.,Cosulich, S.,Cumming, I.,Davies, M.,Davies, N.L.,Eatherton, A.,Evans, L.,Feron, L.,Fillery, S.,Gleave, E.S.,Goldberg, F.W.,Hanson, L.,Harlfinger, S.,Howard, M.,Howells, R.,Jackson, A.,Kemmitt, P.,Lamont, G.,Lamont, S.,Lewis, H.J.,Liu, L.,Niedbala, M.J.,Phillips, C.,Polanski, R.,Raubo, P.,Robb, G.,Robinson, D.M.,Ross, S.,Sanders, M.G.,Tonge, M.,Whiteley, R.,Wilkinson, S.,Yang, J.,Zhang, W.; Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .; J.Med.Chem., 65:6940-6952, 2022; PubMed: 35471939; DOI: 10.1021/acs.jmedchem.2c00369

実験手法

X-RAY DIFFRACTION (1.18 Å)