2o5k

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|PDB= 2o5k |SIZE=350|CAPTION= <scene name='initialview01'>2o5k</scene>, resolution 3.20&Aring;
|PDB= 2o5k |SIZE=350|CAPTION= <scene name='initialview01'>2o5k</scene>, resolution 3.20&Aring;
|SITE=
|SITE=
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|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>
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|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>
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|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]
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|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=
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|DOMAIN=
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|RELATEDENTRY=
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|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.]]
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[[Category: HBM]]
 
[[Category: benzoimidazol inhibitor]]
[[Category: benzoimidazol inhibitor]]
[[Category: gsk3beta]]
[[Category: gsk3beta]]
[[Category: transferase]]
[[Category: transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:55:27 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:12:58 2008''

Revision as of 01:12, 31 March 2008

Image:2o5k.jpg


PDB ID 2o5k

Drag the structure with the mouse to rotate
, resolution 3.20Å
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


Overview

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 Structure

2O5K is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

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:17764934[[Category: [Tau protein] kinase]]

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