8QTH

Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8)

8QTH の概要

• エントリーDOI: 10.2210/pdb8qth/pdb
• 分子名称: E3 ubiquitin-protein ligase CBL-B, 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, ZINC ION, ... (5 entities in total)
• 機能のキーワード: e3 ubiquitin ligase, allosteric inhibitor, ligase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 46404.77

構造登録者

Schimpl, M. (登録日: 2023-10-12, 公開日: 2024-01-10, 最終更新日: 2024-02-07)

• 主引用文献: Mfuh, A.M.,Boerth, J.A.,Bommakanti, G.,Chan, C.,Chinn, A.J.,Code, E.,Fricke, P.J.,Giblin, K.A.,Gohlke, A.,Hansel, C.,Hariparsad, N.,Hughes, S.J.,Jin, M.,Kantae, V.,Kavanagh, S.L.,Lamb, M.L.,Lane, J.,Moore, R.,Puri, T.,Quinn, T.R.,Reddy, I.,Robb, G.R.,Robbins, K.J.,Gancedo Rodrigo, M.,Schimpl, M.,Singh, B.,Singh, M.,Tang, H.,Thomson, C.,Walsh, J.J.,Ware, J.,Watson, I.D.G.,Ye, M.W.,Wrigley, G.L.,Zhang, A.X.,Zhang, Y.,Grimster, N.P.; Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.; J.Med.Chem., 67:1500-1512, 2024; PubMed: 38227216; DOI: 10.1021/acs.jmedchem.3c02083

実験手法

X-RAY DIFFRACTION (2.198 Å)