3D0B

Crystal Structure of Benzamide Tetrahydro-4H-carbazol-4-one bound to Hsp90

3D0B の概要

• エントリーDOI: 10.2210/pdb3d0b/pdb
• 分子名称: Heat shock protein HSP 90-alpha, 2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide (3 entities in total)
• 機能のキーワード: hsp90, heat shock protein 90, 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: 1
• 化学式量合計: 26534.82

構造登録者

Barta, T.E.,Veal, J.M.,Huang, K.H.,Hall, S.H. (登録日: 2008-05-01, 公開日: 2008-06-17, 最終更新日: 2024-04-10)

主引用文献

Barta, T.E.,Veal, J.M.,Rice, J.W.,Partridge, J.M.,Fadden, R.P.,Ma, W.,Jenks, M.,Geng, L.,Hanson, G.J.,Huang, K.H.,Barabasz, A.F.,Foley, B.E.,Otto, J.,Hall, S.E.
Discovery of benzamide tetrahydro-4H-carbazol-4-ones as novel small molecule inhibitors of Hsp90
BIOORG.MED.CHEM.LETT., 18:3517-3521, 2008

PubMed Abstract: Hsp90 maintains the conformational stability of multiple proteins implicated in oncogenesis and has emerged as a target for chemotherapy. We report here the discovery of a novel small molecule scaffold that inhibits Hsp90. X-ray data show that the scaffold binds competitively at the ATP site on Hsp90. Cellular proliferation and client assays demonstrate that members of the series are able to inhibit Hsp90 at nanomolar concentrations.

PubMed: 18511277
DOI: 10.1016/j.bmcl.2008.05.023

実験手法

X-RAY DIFFRACTION (1.74 Å)