6UVC

Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid

6UVC の概要

• エントリーDOI: 10.2210/pdb6uvc/pdb
• 分子名称: Bcl-2-like protein 1, (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: apoptosis, bcl-2 family, bcl-xl, inhibitor, apoptosis-inhibitor complex, apoptosis/inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 38119.32

構造登録者

Roy, M.J.,Birkinshaw, R.,Lessene, G.,Czabotar, P.E. (登録日: 2019-11-02, 公開日: 2021-05-05, 最終更新日: 2023-10-11)

• 主引用文献: Roy, M.J.,Vom, A.,Okamoto, T.,Smith, B.J.,Birkinshaw, R.W.,Yang, H.,Abdo, H.,White, C.A.,Segal, D.,Huang, D.C.S.,Baell, J.B.,Colman, P.M.,Czabotar, P.E.,Lessene, G.; Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.; J.Med.Chem., 64:5447-5469, 2021; PubMed: 33904752; DOI: 10.1021/acs.jmedchem.0c01771

実験手法

X-RAY DIFFRACTION (1.9 Å)