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[[Image:2iei.gif|left|200px]]


{{Structure
==Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone==
|PDB= 2iei |SIZE=350|CAPTION= <scene name='initialview01'>2iei</scene>, resolution 1.91&Aring;
<StructureSection load='2iei' size='340' side='right'caption='[[2iei]], [[Resolution|resolution]] 1.91&Aring;' scene=''>
|SITE=  
== Structural highlights ==
|LIGAND= <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>
<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>
|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Phosphorylase Phosphorylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.1.1 2.4.1.1] </span>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.91&#8491;</td></tr>
|GENE=
<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>
|DOMAIN=
<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>
|RELATEDENTRY=[[2ieg|2IEG]]
</table>
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2iei FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2iei OCA], [http://www.ebi.ac.uk/pdbsum/2iei PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2iei RCSB]</span>
== 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.


'''Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone'''
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>


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2iei" style="background-color:#fffaf0;"></div>


==Overview==
==See Also==
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.
*[[Glycogen phosphorylase 3D structures|Glycogen phosphorylase 3D structures]]
 
== References ==
==About this Structure==
<references/>
2IEI is a [[Single protein]] structure of sequence from [http://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].
__TOC__
 
</StructureSection>
==Reference==
[[Category: Large Structures]]
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:[http://www.ncbi.nlm.nih.gov/pubmed/17095214 17095214]
[[Category: Oryctolagus cuniculus]]
[[Category: Oryctolagus cuniculus]]
[[Category: Phosphorylase]]
[[Category: Birch AM]]
[[Category: Single protein]]
[[Category: Breed J]]
[[Category: Birch, A M.]]
[[Category: Kenny PW]]
[[Category: Breed, J.]]
[[Category: Minshull C]]
[[Category: Kenny, P W.]]
[[Category: Oikonomakos NG]]
[[Category: Minshull, C.]]
[[Category: Otterbein L]]
[[Category: Oikonomakos, N G.]]
[[Category: Pannifer A]]
[[Category: Otterbein, L.]]
[[Category: Pauptit R]]
[[Category: Pannifer, A.]]
[[Category: Rowsell S]]
[[Category: Pauptit, R.]]
[[Category: Schofield P]]
[[Category: Rowsell, S.]]
[[Category: Whalley DP]]
[[Category: Schofield, P.]]
[[Category: Whittamore PRO]]
[[Category: Whalley, D P.]]
[[Category: Whittamore, P R.O.]]
[[Category: diabetes]]
[[Category: glucose]]
[[Category: glycogen phosphorylase]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:43:15 2008''

Latest revision as of 01:03, 21 November 2024

Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone

2iei, resolution 1.91Å

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