Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor

File:2o5k.jpg


2o5k, resolution 3.20Å

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OverviewOverview

A hydroxy functional group was introduced as the hydrogen bond donor and, acceptor at the hinge region of protein kinase in order to develop novel, ATP-competitive inhibitors. Several derivatives of, 7-hydroxyl-1H-benzoimidazole were designed as inhibitors of glycogen, synthase kinase-3beta with the help of ab initio calculations and a, docking study. Enzymatic assay and an X-ray complex study showed that, these designed compounds were highly potent ATP-competitive inhibitors.

About this StructureAbout this Structure

2O5K is a Single protein structure of sequence from Homo sapiens with as ligand. Active as [Tau_protein_kinase [Tau protein] kinase], with EC number 2.7.11.26 Full crystallographic information is available from OCA.

ReferenceReference

Design and synthesis of 7-hydroxy-1H-benzoimidazole derivatives as novel inhibitors of glycogen synthase kinase-3beta., Shin D, Lee SC, Heo YS, Lee WY, Cho YS, Kim YE, Hyun YL, Cho JM, Lee YS, Ro S, Bioorg Med Chem Lett. 2007 Oct 15;17(20):5686-9. Epub 2007 Aug 19. PMID:17764934 [[Category: [Tau protein] kinase]]

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