2BZ5

Structure-based Discovery of a New Class of Hsp90 Inhibitors

2BZ5 の概要

• エントリーDOI: 10.2210/pdb2bz5/pdb
• 関連するPDBエントリー: 1BYQ 1OSF 1UY6 1UY7 1UY8 1UY9 1UYC 1UYD 1UYE 1UYF 1UYG 1UYH 1UYI 1UYK 1UYL 1YC1 1YC3 1YC4 1YER 1YES 1YET 2BSM 2BT0 2BYH 2BYI
• 分子名称: HEAT SHOCK PROTEIN HSP90-ALPHA, 2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE (3 entities in total)
• 機能のキーワード: atp-binding, chaperone, heat shock, nucleotide-binding, phosphorylation
• 由来する生物種: HOMO SAPIENS (HUMAN)
• 細胞内の位置: Nucleus : P07900
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 53861.82

構造登録者

Barril, X.,Brough, P.,Drysdale, M.,Hubbard, R.E.,Massey, A.,Surgenor, A.,Wright, L. (登録日: 2005-08-11, 公開日: 2005-10-12, 最終更新日: 2023-12-13)

主引用文献

Barril, X.,Brough, P.,Drysdale, M.,Hubbard, R.E.,Massey, A.,Surgenor, A.,Wright, L.
Structure-Based Discovery of a New Class of Hsp90 Inhibitors.
Bioorg.Med.Chem.Lett., 15:5187-, 2005

PubMed Abstract: Docking-based virtual screening identified 1-(2-phenol)-2-naphthol compounds as a new class of Hsp90 inhibitors of low to sub-micromolar potency. Here we report the binding affinities and cellular activities of several members of this class. A high resolution crystal structure of the most potent compound reveals its binding mode in the ATP binding site of Hsp90, providing a rationale for the observed activity of the series and suggesting strategies for developing compounds with improved properties.

PubMed: 16202589
DOI: 10.1016/J.BMCL.2005.08.092

実験手法

X-RAY DIFFRACTION (1.9 Å)