3K98

HSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide

3K98 の概要

• エントリーDOI: 10.2210/pdb3k98/pdb
• 関連するPDBエントリー: 3K97 3K99
• 分子名称: Heat shock protein HSP 90-alpha, (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide, PHOSPHATE ION, ... (4 entities in total)
• 機能のキーワード: hsp90, atp binding domain, inhibition, acetylation, alternative splicing, atp-binding, chaperone, cytoplasm, nucleotide-binding, phosphoprotein, stress response
• 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: 2
• 化学式量合計: 53640.01

構造登録者

Gajiwala, K.S.,Davies II, J.F. (登録日: 2009-10-15, 公開日: 2010-02-09, 最終更新日: 2024-02-21)

• 主引用文献: Kung, P.P.,Huang, B.,Zhang, G.,Zhou, J.Z.,Wang, J.,Digits, J.A.,Skaptason, J.,Yamazaki, S.,Neul, D.,Zientek, M.,Elleraas, J.,Mehta, P.,Yin, M.J.,Hickey, M.J.,Gajiwala, K.S.,Rodgers, C.,Davies, J.F.,Gehring, M.R.; Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.; J.Med.Chem., 53:499-503, 2010; PubMed: 19908836; DOI: 10.1021/jm901209q

実験手法

X-RAY DIFFRACTION (2.4 Å)