3F7Z

X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhibitor

3F7Z の概要

• エントリーDOI: 10.2210/pdb3f7z/pdb
• 分子名称: Glycogen synthase kinase-3 beta, 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole (3 entities in total)
• 機能のキーワード: enzyme, protein kinase, inhibitor co-crystal structure, atp-binding, kinase, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase, wnt signaling pathway
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm : P49841
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 80486.27

構造登録者

Mol, C.D.,Dougan, D.R. (登録日: 2008-11-10, 公開日: 2009-03-10, 最終更新日: 2023-12-27)

主引用文献

Saitoh, M.,Kunitomo, J.,Kimura, E.,Hayase, Y.,Kobayashi, H.,Uchiyama, N.,Kawamoto, T.,Tanaka, T.,Mol, C.D.,Dougan, D.R.,Textor, G.S.,Snell, G.P.,Itoh, F.
Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Bioorg.Med.Chem., 17:2017-2029, 2009

PubMed Abstract: Glycogen synthase kinase-3beta (GSK-3beta) is implicated in abnormal hyperphosphorylation of tau protein and its inhibitors are expected to be a promising therapeutic agents for the treatment of Alzheimer's disease. Here we report design, synthesis and structure-activity relationships of a novel series of oxadiazole derivatives as GSK-3beta inhibitors. Among these inhibitors, compound 20x showed highly selective and potent GSK-3beta inhibitory activity in vitro and its binding mode was determined by obtaining the X-ray co-crystal structure of 20x and GSK-3beta.

PubMed: 19200745
DOI: 10.1016/j.bmc.2009.01.019

実験手法

X-RAY DIFFRACTION (2.4 Å)