8QNG

Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine HTS hit compound 1)

8QNG の概要

• エントリーDOI: 10.2210/pdb8qng/pdb
• 分子名称: E3 ubiquitin-protein ligase CBL-B, 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide, ZINC ION, ... (5 entities in total)
• 機能のキーワード: e3 ubiquitin ligase, allosteric inhibition, structure based drug design, 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: 46417.84

構造登録者

Schimpl, M. (登録日: 2023-09-26, 公開日: 2023-11-22, 最終更新日: 2024-01-03)

• 主引用文献: Boerth, J.A.,Chinn, A.J.,Schimpl, M.,Bommakanti, G.,Chan, C.,Code, E.L.,Giblin, K.A.,Gohlke, A.,Hansel, C.S.,Jin, M.,Kavanagh, S.L.,Lamb, M.L.,Lane, J.S.,Larner, C.J.B.,Mfuh, A.M.,Moore, R.K.,Puri, T.,Quinn, T.R.,Ye, M.,Robbins, K.J.,Gancedo-Rodrigo, M.,Tang, H.,Walsh, J.,Ware, J.,Wrigley, G.L.,Reddy, I.K.,Zhang, Y.,Grimster, N.P.; Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.; Acs Med.Chem.Lett., 14:1848-1856, 2023; PubMed: 38116444; DOI: 10.1021/acsmedchemlett.3c00439

実験手法

X-RAY DIFFRACTION (2.197 Å)