3OWB

Crystal Structure of HSP90 with VER-49009

3OWB の概要

• エントリーDOI: 10.2210/pdb3owb/pdb
• 関連するPDBエントリー: 3OW6 3OWD
• 分子名称: Heat shock protein HSP 90-alpha, 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE (3 entities in total)
• 機能のキーワード: hsp90, chaperone
• 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: 23536.07

構造登録者

Park, C.H. (登録日: 2010-09-17, 公開日: 2011-09-21, 最終更新日: 2024-02-21)

主引用文献

Bruncko, M.,Tahir, S.K.,Song, X.,Chen, J.,Ding, H.,Huth, J.R.,Jin, S.,Judge, R.A.,Madar, D.J.,Park, C.H.,Park, C.M.,Petros, A.M.,Tse, C.,Rosenberg, S.H.,Elmore, S.W.
N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors.
Bioorg.Med.Chem.Lett., 20:7503-7506, 2010

PubMed Abstract: We describe the development of a novel series of N-aryl-benzimidazolone HSP90 inhibitors (9) targeting the N-terminal ATP-ase site. SAR development was influenced by structure-based design based around X-ray structures of ligand bound HSP90 complexes. Lead compounds exhibited high binding affinities, ATP-ase inhibition and cellular client protein degradation.

PubMed: 21106457
DOI: 10.1016/j.bmcl.2010.10.010

実験手法

X-RAY DIFFRACTION (2.05 Å)