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3tkm

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==Crystal structure PPAR delta binding GW0742==
==Crystal structure PPAR delta binding GW0742==
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<StructureSection load='3tkm' size='340' side='right' caption='[[3tkm]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
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<StructureSection load='3tkm' size='340' side='right'caption='[[3tkm]], [[Resolution|resolution]] 1.95&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3tkm]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TKM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TKM FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3tkm]] is a 1 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=3TKM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TKM FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GW0:{4-[({2-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]-4-METHYL-1,3-THIAZOL-5-YL}METHYL)SULFANYL]-2-METHYLPHENOXY}ACETIC+ACID'>GW0</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.953&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PPARD, NR1C2, PPARB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=GW0:{4-[({2-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]-4-METHYL-1,3-THIAZOL-5-YL}METHYL)SULFANYL]-2-METHYLPHENOXY}ACETIC+ACID'>GW0</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3tkm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tkm OCA], [http://pdbe.org/3tkm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3tkm RCSB], [http://www.ebi.ac.uk/pdbsum/3tkm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3tkm ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3tkm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tkm OCA], [https://pdbe.org/3tkm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tkm RCSB], [https://www.ebi.ac.uk/pdbsum/3tkm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tkm ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/PPARD_HUMAN PPARD_HUMAN]] Ligand-activated transcription factor. Receptor that binds peroxisome proliferators such as hypolipidemic drugs and fatty acids. Has a preference for poly-unsaturated fatty acids, such as gamma-linoleic acid and eicosapentanoic acid. Once activated by a ligand, the receptor binds to promoter elements of target genes. Regulates the peroxisomal beta-oxidation pathway of fatty acids. Functions as transcription activator for the acyl-CoA oxidase gene. Decreases expression of NPC1L1 once activated by a ligand.<ref>PMID:1333051</ref> <ref>PMID:15604518</ref>
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[https://www.uniprot.org/uniprot/PPARD_HUMAN PPARD_HUMAN] Ligand-activated transcription factor. Receptor that binds peroxisome proliferators such as hypolipidemic drugs and fatty acids. Has a preference for poly-unsaturated fatty acids, such as gamma-linoleic acid and eicosapentanoic acid. Once activated by a ligand, the receptor binds to promoter elements of target genes. Regulates the peroxisomal beta-oxidation pathway of fatty acids. Functions as transcription activator for the acyl-CoA oxidase gene. Decreases expression of NPC1L1 once activated by a ligand.<ref>PMID:1333051</ref> <ref>PMID:15604518</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Peroxisome proliferator activated receptors (PPARs delta, alpha and gamma) are closely related transcription factors that exert distinct effects on fatty acid and glucose metabolism, cardiac disease, inflammatory response and other processes. Several groups developed PPAR subtype specific modulators to trigger desirable effects of particular PPARs without harmful side effects associated with activation of other subtypes. Presently, however, many compounds that bind to one of the PPARs cross-react with others and rational strategies to obtain highly selective PPAR modulators are far from clear. GW0742 is a synthetic ligand that binds PPARdelta more than 300-fold more tightly than PPARalpha or PPARgamma but the structural basis of PPARdelta:GW0742 interactions and reasons for strong selectivity are not clear. Here we report the crystal structure of the PPARdelta:GW0742 complex. Comparisons of the PPARdelta:GW0742 complex with published structures of PPARs in complex with alpha and gamma selective agonists and pan agonists suggests that two residues (Val312 and Ile328) in the buried hormone binding pocket play special roles in PPARdelta selective binding and experimental and computational analysis of effects of mutations in these residues confirms this and suggests that bulky substituents that line the PPARalpha and gamma ligand binding pockets as structural barriers for GW0742 binding. This analysis suggests general strategies for selective PPARdelta ligand design.
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Structural Insights into Human Peroxisome Proliferator Activated Receptor Delta (PPAR-Delta) Selective Ligand Binding.,Batista FA, Trivella DB, Bernardes A, Gratieri J, Oliveira PS, Figueira AC, Webb P, Polikarpov I PLoS One. 2012;7(5):e33643. Epub 2012 May 11. PMID:22606221<ref>PMID:22606221</ref>
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==See Also==
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*[[Peroxisome proliferator-activated receptor 3D structures|Peroxisome proliferator-activated receptor 3D structures]]
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3tkm" style="background-color:#fffaf0;"></div>
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== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
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[[Category: Batista, F H]]
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[[Category: Large Structures]]
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[[Category: Polikarpov, I]]
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[[Category: Batista FH]]
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[[Category: Trivella, D B.B]]
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[[Category: Polikarpov I]]
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[[Category: Nuclear receptor]]
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[[Category: Trivella DBB]]
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[[Category: Transcription]]
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[[Category: Transcription-transcription activator complex]]
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Current revision

Crystal structure PPAR delta binding GW0742

PDB ID 3tkm

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