2iei
From Proteopedia
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(New page: 200px<br /><applet load="2iei" size="450" color="white" frame="true" align="right" spinBox="true" caption="2iei, resolution 1.91Å" /> '''Crystal structure of...) |
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| - | [[Image:2iei.gif|left|200px]]<br /><applet load="2iei" size="450" color="white" frame="true" align="right" spinBox="true" | ||
| - | caption="2iei, resolution 1.91Å" /> | ||
| - | '''Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone'''<br /> | ||
| - | == | + | ==Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone== |
| - | A series of substituted 3,4-dihydro-2-quinolone glycogen phosphorylase | + | <StructureSection load='2iei' size='340' side='right'caption='[[2iei]], [[Resolution|resolution]] 1.91Å' scene=''> |
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[2iei]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IEI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2IEI 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]] 1.91Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FRX:(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE'>FRX</scene>, <scene name='pdbligand=PLR:(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL+DIHYDROGEN+PHOSPHATE'>PLR</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=2iei FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2iei OCA], [https://pdbe.org/2iei PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2iei RCSB], [https://www.ebi.ac.uk/pdbsum/2iei PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2iei 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/ie/2iei_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=2iei ConSurf]. | ||
| + | <div style="clear:both"></div> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | A series of substituted 3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors, which have potential as antidiabetic agents, is described. Initial members of the series showed good enzyme inhibitory potency but poor physical properties. Optimisation of the 1-substituent led to 2,3-dihydroxypropyl compounds which showed good in vitro potency and improved physical properties, together with good DMPK profiles and acute in vivo efficacy in a rat model. X-ray crystallographic data are presented, showing an unexpected variety of binding orientations at the dimer interface site. | ||
| - | + | Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors.,Birch AM, Kenny PW, Oikonomakos NG, Otterbein L, Schofield P, Whittamore PR, Whalley DP Bioorg Med Chem Lett. 2007 Jan 15;17(2):394-9. Epub 2006 Oct 19. PMID:17095214<ref>PMID:17095214</ref> | |
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| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | <div class="pdbe-citations 2iei" style="background-color:#fffaf0;"></div> | |
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| - | + | ==See Also== | |
| + | *[[Glycogen phosphorylase 3D structures|Glycogen phosphorylase 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Oryctolagus cuniculus]] | ||
| + | [[Category: Birch AM]] | ||
| + | [[Category: Breed J]] | ||
| + | [[Category: Kenny PW]] | ||
| + | [[Category: Minshull C]] | ||
| + | [[Category: Oikonomakos NG]] | ||
| + | [[Category: Otterbein L]] | ||
| + | [[Category: Pannifer A]] | ||
| + | [[Category: Pauptit R]] | ||
| + | [[Category: Rowsell S]] | ||
| + | [[Category: Schofield P]] | ||
| + | [[Category: Whalley DP]] | ||
| + | [[Category: Whittamore PRO]] | ||
Current revision
Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone
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