2o5k: Difference between revisions
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[[Image:2o5k.jpg|left|200px]] | [[Image:2o5k.jpg|left|200px]] | ||
'''Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor''' | {{Structure | ||
|PDB= 2o5k |SIZE=350|CAPTION= <scene name='initialview01'>2o5k</scene>, resolution 3.20Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=HBM:2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID [2-(4-METHANESULFONYLAMINO-PHENYL)-ETHYL]-AMIDE'>HBM</scene> | |||
|ACTIVITY= [http://en.wikipedia.org/wiki/[Tau_protein]_kinase [Tau protein] kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.26 2.7.11.26] | |||
|GENE= | |||
}} | |||
'''Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2O5K is a [ | 2O5K is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2O5K OCA]. | ||
==Reference== | ==Reference== | ||
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:[http:// | 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:[http://www.ncbi.nlm.nih.gov/pubmed/17764934 17764934] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: transferase]] | [[Category: transferase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:55:27 2008'' | ||
Revision as of 18:55, 20 March 2008
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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 | ||||||
Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor
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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