2o5k: Difference between revisions
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|PDB= 2o5k |SIZE=350|CAPTION= <scene name='initialview01'>2o5k</scene>, resolution 3.20Å | |PDB= 2o5k |SIZE=350|CAPTION= <scene name='initialview01'>2o5k</scene>, resolution 3.20Å | ||
|SITE= | |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> | |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] | |ACTIVITY= <span class='plainlinks'>[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] </span> | ||
|GENE= | |GENE= | ||
|DOMAIN= | |||
|RELATEDENTRY= | |||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2o5k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2o5k OCA], [http://www.ebi.ac.uk/pdbsum/2o5k PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2o5k RCSB]</span> | |||
}} | }} | ||
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[[Category: Ro, S.]] | [[Category: Ro, S.]] | ||
[[Category: Shin, D.]] | [[Category: Shin, D.]] | ||
[[Category: benzoimidazol inhibitor]] | [[Category: benzoimidazol inhibitor]] | ||
[[Category: gsk3beta]] | [[Category: gsk3beta]] | ||
[[Category: transferase]] | [[Category: transferase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:12:58 2008'' | ||
Revision as of 04:12, 31 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 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| 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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