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2ieg

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[[Image:2ieg.gif|left|200px]]<br /><applet load="2ieg" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2ieg.gif|left|200px]]
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caption="2ieg, resolution 1.90&Aring;" />
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'''Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone'''<br />
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{{Structure
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|PDB= 2ieg |SIZE=350|CAPTION= <scene name='initialview01'>2ieg</scene>, resolution 1.90&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=PLR:(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL+DIHYDROGEN+PHOSPHATE'>PLR</scene> and <scene name='pdbligand=FRY:(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE'>FRY</scene>
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|ACTIVITY= [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]
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|GENE=
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}}
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'''Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2IEG is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus] with <scene name='pdbligand=PLR:'>PLR</scene> and <scene name='pdbligand=FRY:'>FRY</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2IEG OCA].
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2IEG 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=2IEG OCA].
==Reference==
==Reference==
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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://ispc.weizmann.ac.il//pmbin/getpm?pmid=17095214 17095214]
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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: Phosphorylase]]
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[[Category: glypho]]
[[Category: glypho]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:51:50 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:28:35 2008''

Revision as of 15:28, 20 March 2008

Image:2ieg.gif


PDB ID 2ieg

Drag the structure with the mouse to rotate
, resolution 1.90Å
Ligands: and
Activity: Phosphorylase, with EC number 2.4.1.1
Coordinates: save as pdb, mmCIF, xml



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


Overview

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.

About this Structure

2IEG is a Single protein structure of sequence from Oryctolagus cuniculus. Full crystallographic information is available from OCA.

Reference

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

Page seeded by OCA on Thu Mar 20 17:28:35 2008

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