2o5k

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[[Image:2o5k.jpg|left|200px]]<br /><applet load="2o5k" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2o5k.jpg|left|200px]]
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caption="2o5k, resolution 3.20&Aring;" />
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'''Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor'''<br />
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{{Structure
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|PDB= 2o5k |SIZE=350|CAPTION= <scene name='initialview01'>2o5k</scene>, resolution 3.20&Aring;
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|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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|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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|GENE=
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}}
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'''Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2O5K is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=HBM:'>HBM</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2O5K OCA].
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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==
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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://ispc.weizmann.ac.il//pmbin/getpm?pmid=17764934 17764934]
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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]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:14:40 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:55:27 2008''

Revision as of 15:55, 20 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
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]]

Page seeded by OCA on Thu Mar 20 17:55:27 2008

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