3f7z
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 3f7z is ON HOLD Authors: Mol, C.D., Dougan, D.R. Description: X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhib...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhibitor== | |
| + | <StructureSection load='3f7z' size='340' side='right'caption='[[3f7z]], [[Resolution|resolution]] 2.40Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[3f7z]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3F7Z OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3F7Z FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.4Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=34O:2-(1,3-BENZODIOXOL-5-YL)-5-[(3-FLUORO-4-METHOXYBENZYL)SULFANYL]-1,3,4-OXADIAZOLE'>34O</scene>, <scene name='pdbligand=PTR:O-PHOSPHOTYROSINE'>PTR</scene></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3f7z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3f7z OCA], [https://pdbe.org/3f7z PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3f7z RCSB], [https://www.ebi.ac.uk/pdbsum/3f7z PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3f7z ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Evolutionary Conservation == | ||
| + | [[Image:Consurf_key_small.gif|200px|right]] | ||
| + | Check<jmol> | ||
| + | <jmolCheckbox> | ||
| + | <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f7/3f7z_consurf.spt"</scriptWhenChecked> | ||
| + | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked> | ||
| + | <text>to colour the structure by Evolutionary Conservation</text> | ||
| + | </jmolCheckbox> | ||
| + | </jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3f7z ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Glycogen synthase kinase-3beta (GSK-3beta) is implicated in abnormal hyperphosphorylation of tau protein and its inhibitors are expected to be a promising therapeutic agents for the treatment of Alzheimer's disease. Here we report design, synthesis and structure-activity relationships of a novel series of oxadiazole derivatives as GSK-3beta inhibitors. Among these inhibitors, compound 20x showed highly selective and potent GSK-3beta inhibitory activity in vitro and its binding mode was determined by obtaining the X-ray co-crystal structure of 20x and GSK-3beta. | ||
| - | + | Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.,Saitoh M, Kunitomo J, Kimura E, Hayase Y, Kobayashi H, Uchiyama N, Kawamoto T, Tanaka T, Mol CD, Dougan DR, Textor GS, Snell GP, Itoh F Bioorg Med Chem. 2009 Mar 1;17(5):2017-29. Epub 2009 Jan 15. PMID:19200745<ref>PMID:19200745</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 3f7z" style="background-color:#fffaf0;"></div> | ||
| - | + | ==See Also== | |
| + | *[[Glycogen synthase kinase 3 3D structures|Glycogen synthase kinase 3 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Homo sapiens]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Dougan DR]] | ||
| + | [[Category: Mol CD]] | ||
Current revision
X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhibitor
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