3BM9

Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90

3BM9 の概要

• エントリーDOI: 10.2210/pdb3bm9/pdb
• 関連するPDBエントリー: 3BMY
• 分子名称: Heat shock protein HSP 90-alpha, 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol (3 entities in total)
• 機能のキーワード: chaperone, atp binding domain, alternative splicing, atp-binding, 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: 1
• 化学式量合計: 25734.68

構造登録者

Gopalsamy, A.,Shi, M.,Vogan, E.M.,Golas, J.,Jacob, J.,Johnson, J.,Lee, F.,Nilakantan, R.,Peterson, R.,Svenson, K.,Tam, M.S.,Wen, Y.,Chopra, R.,Ellingboe, J.,Arndt, K.,Boschelli, F. (登録日: 2007-12-12, 公開日: 2008-07-08, 最終更新日: 2024-02-21)

主引用文献

Gopalsamy, A.,Shi, M.,Golas, J.,Vogan, E.,Jacob, J.,Johnson, M.,Lee, F.,Nilakantan, R.,Petersen, R.,Svenson, K.,Chopra, R.,Tam, M.S.,Wen, Y.,Ellingboe, J.,Arndt, K.,Boschelli, F.
Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51:373-375, 2008

PubMed Abstract: Heat shock protein 90 (Hsp90) is a molecular chaperone that is responsible for activating many signaling proteins and is a promising target in tumor biology. We have identified small-molecule benzisoxazole derivatives as Hsp90 inhibitors. Crystallographic studies show that these compounds bind in the ATP binding pocket interacting with the Asp93. Structure based optimization led to the identification of potent analogues, such as 13, with good biochemical profiles.

PubMed: 18197612
DOI: 10.1021/jm701385c

実験手法

X-RAY DIFFRACTION (1.6 Å)