2W3L

Crystal Structure of Chimaeric Bcl2-xL and Phenyl Tetrahydroisoquinoline Amide Complex

2W3L の概要

• エントリーDOI: 10.2210/pdb2w3l/pdb
• 関連するPDBエントリー: 1G5M 1GJH 1YSW
• 分子名称: APOPTOSIS REGULATOR BCL-2, 1-(2-{[(3S)-3-(aminomethyl)-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}phenyl)-4-chloro-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide (3 entities in total)
• 機能のキーワード: apoptosis
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Mitochondrion outer membrane ; Single-pass membrane protein : P10415
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 34902.03

構造登録者

Porter, J.,Payne, A.,de Candole, B.,Ford, D.,Hutchinson, B.,Trevitt, G.,Turner, J.,Edwards, C.,Watkins, C.,Whitcombe, I.,Davis, J.,Stubberfield, C.,Fisher, M.,Lamers, M. (登録日: 2008-11-13, 公開日: 2008-12-09, 最終更新日: 2024-05-08)

主引用文献

Porter, J.,Payne, A.,De Candole, B.,Ford, D.,Hutchinson, B.,Trevitt, G.,Turner, J.,Edwards, C.,Watkins, C.,Whitcombe, I.,Davis, J.,Stubberfield, C.
Tetrahydroisoquinoline Amide Substituted Phenyl Pyrazoles as Selective Bcl-2 Inhibitors.
Bioorg.Med.Chem.Lett., 19:230-, 2009

PubMed Abstract: Anti-apoptotic Bcl-2 protects cells from apoptosis by binding to pro-apoptotic members of the Bcl-2 family thereby playing a role in tumour survival in response to chemo- or radiation therapy. We describe a series of phenyl pyrazoles that have high affinity for Bcl-2 and rationalise the observed SAR by means of an X-ray crystal structure.

PubMed: 19027294
DOI: 10.1016/J.BMCL.2008.10.113

実験手法

X-RAY DIFFRACTION (2.1 Å)