4R3M

Crystal structure of Human Hsp90 with JR9

4R3M の概要

• エントリーDOI: 10.2210/pdb4r3m/pdb
• 分子名称: Heat shock protein HSP 90-alpha, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine (3 entities in total)
• 機能のキーワード: chaperone/chaperone inhibitor, chaperone-chaperone inhibitor complex
• 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: 23844.82

構造登録者

Li, J.,Yang, M.,Ren, J.,Xiong, B.,He, J. (登録日: 2014-08-16, 公開日: 2014-11-05, 最終更新日: 2024-03-20)

主引用文献

Ren, J.,Yang, M.,Liu, H.,Cao, D.,Chen, D.,Li, J.,Tang, L.,He, J.,Chen, Y.L.,Geng, M.,Xiong, B.,Shen, J.
Multi-substituted 8-aminoimidazo[1,2-a]pyrazines by Groebke-Blackburn-Bienayme reaction and their Hsp90 inhibitory activity.
Org.Biomol.Chem., 13:1531-1535, 2015

PubMed Abstract: Using a 2,3-diamino pyrazine substrate and yttrium triflate catalyst, various 2-alkyl and aryl substituted 3,8-diaminoimidazo[1,2-a]pyrazines were efficiently prepared through Groebke-Blackburn-Bienaymé MCR. In particular, a novel 2-piperonyl 3,8-diaminoimidazo[1,2-a]pyrazine structure was prepared exclusively with this new method and was found to have moderate Hsp90 inhibitory activity. A crystalline complex with N-terminus ATP domain of Hsp90 and one of the new Hsp90 inhibitors was also obtained to elucidate the origin of activity of 2-piperonyl 3,8-diaminoimidazo[1,2-a]pyrazines.

PubMed: 25490978
DOI: 10.1039/c4ob01865f

実験手法

X-RAY DIFFRACTION (1.8 Å)