4O0B

Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease

4O0B の概要

• エントリーDOI: 10.2210/pdb4o0b/pdb
• 関連するPDBエントリー: 4O04 4O05 4O06 4O09
• 分子名称: Heat shock protein HSP 90-alpha, 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one (3 entities in total)
• 機能のキーワード: chaperone, chaperone-chaperone inhibitor complex, chaperone/chaperone inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm : P07900
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 26573.92

構造登録者

Zuccola, H.J.,Ernst, J.T. (登録日: 2013-12-13, 公開日: 2014-04-09, 最終更新日: 2024-02-28)

• 主引用文献: Ernst, J.T.,Neubert, T.,Liu, M.,Sperry, S.,Zuccola, H.,Turnbull, A.,Fleck, B.,Kargo, W.,Woody, L.,Chiang, P.,Tran, D.,Chen, W.,Snyder, P.,Alcacio, T.,Nezami, A.,Reynolds, J.,Alvi, K.,Goulet, L.,Stamos, D.; Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease.; J.Med.Chem., 57:3382-3400, 2014; PubMed: 24673104; DOI: 10.1021/jm500042s

実験手法

X-RAY DIFFRACTION (1.93 Å)