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2o5k

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[[Image:2o5k.jpg|left|200px]]
[[Image:2o5k.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2o5k |SIZE=350|CAPTION= <scene name='initialview01'>2o5k</scene>, resolution 3.20&Aring;
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The line below this paragraph, containing "STRUCTURE_2o5k", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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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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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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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>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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|DOMAIN=
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{{STRUCTURE_2o5k| PDB=2o5k | SCENE= }}
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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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}}
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'''Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor'''
'''Crystal Structure of GSK3beta in complex with a benzoimidazol inhibitor'''
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[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: [Tau protein] kinase]]
 
[[Category: Cho, J M.]]
[[Category: Cho, J M.]]
[[Category: Cho, Y S.]]
[[Category: Cho, Y S.]]
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[[Category: Ro, S.]]
[[Category: Ro, S.]]
[[Category: Shin, D.]]
[[Category: Shin, D.]]
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[[Category: benzoimidazol inhibitor]]
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[[Category: Benzoimidazol inhibitor]]
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[[Category: gsk3beta]]
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[[Category: Gsk3beta]]
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[[Category: transferase]]
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[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 10:21:17 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:12:58 2008''
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Revision as of 07:21, 4 May 2008

Image:2o5k.jpg

Template:STRUCTURE 2o5k

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 Page seeded by OCA on Sun May 4 10:21:17 2008

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