2o5k
Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor
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| , resolution 3.20Å | |||||||
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| Ligands: | |||||||
| Activity: | [Tau_protein_kinase [Tau protein] kinase], with EC number 2.7.11.26 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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. 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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