4W7T

Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990

4W7T の概要

• エントリーDOI: 10.2210/pdb4w7t/pdb
• 分子名称: Heat shock protein HSP 90-alpha, (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one (3 entities in total)
• 機能のキーワード: atp-binding domain, chaperone-inhibitor complex, chaperone/inhibitor
• 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: 26855.07

構造登録者

Bellamacina, C.R.,Shafer, C.M.,Bussiere, D. (登録日: 2014-08-22, 公開日: 2014-11-26, 最終更新日: 2024-04-03)

主引用文献

McBride, C.M.,Levine, B.,Xia, Y.,Bellamacina, C.,Machajewski, T.,Gao, Z.,Renhowe, P.,Antonios-McCrea, W.,Barsanti, P.,Brinner, K.,Costales, A.,Doughan, B.,Lin, X.,Louie, A.,McKenna, M.,Mendenhall, K.,Poon, D.,Rico, A.,Wang, M.,Williams, T.E.,Abrams, T.,Fong, S.,Hendrickson, T.,Lei, D.,Lin, J.,Menezes, D.,Pryer, N.,Taverna, P.,Xu, Y.,Zhou, Y.,Shafer, C.M.
Design, Structure-Activity Relationship, and in Vivo Characterization of the Development Candidate NVP-HSP990.
J.Med.Chem., 57:9124-9129, 2014

PubMed Abstract: Utilizing structure-based drug design, a novel dihydropyridopyrimidinone series which exhibited potent Hsp90 inhibition, good pharmacokinetics upon oral administration, and an excellent pharmacokinetic/pharmacodynamic relationship in vivo was developed from a commercial hit. The exploration of this series led to the selection of NVP-HSP990 as a development candidate.

PubMed: 25368984
DOI: 10.1021/jm501107q

実験手法

X-RAY DIFFRACTION (1.8 Å)