4yl0: Difference between revisions

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-'''Unreleased structure'''
+==Crystal Structures of mPGES-1 Inhibitor Complexes==
+<StructureSection load='4yl0' size='340' side='right' caption='[[4yl0]], [[Resolution|resolution]] 1.52&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4yl0]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4YL0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4YL0 FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4DZ:2-(9-CHLORO-1H-PHENANTHRO[9,10-D]IMIDAZOL-2-YL)BENZENE-1,3-DICARBONITRILE'>4DZ</scene>, <scene name='pdbligand=BOG:B-OCTYLGLUCOSIDE'>BOG</scene>, <scene name='pdbligand=GSH:GLUTATHIONE'>GSH</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=PG4:TETRAETHYLENE+GLYCOL'>PG4</scene></td></tr>
+<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4yk5|4yk5]], [[4yl1|4yl1]], [[4yl3|4yl3]]</td></tr>
+<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Prostaglandin-E_synthase Prostaglandin-E synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.99.3 5.3.99.3] </span></td></tr>
+<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=4yl0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4yl0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4yl0 RCSB], [http://www.ebi.ac.uk/pdbsum/4yl0 PDBsum]</span></td></tr>
+</table>
+== Function ==
+[[http://www.uniprot.org/uniprot/PTGES_HUMAN PTGES_HUMAN]] Catalyzes the oxidoreduction of prostaglandin endoperoxide H2 (PGH2) to prostaglandin E2 (PGE2).<ref>PMID:18682561</ref>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Microsomal prostaglandin E synthase 1 (mPGES-1) is an alpha-helical homotrimeric integral membrane inducible enzyme that catalyzes the formation of prostaglandin E2 (PGE2) from prostaglandin H2 (PGH2). Inhibition of mPGES-1 has been proposed as a therapeutic strategy for the treatment of pain, inflammation, and some cancers. Interest in mPGES-1 inhibition can, in part, be attributed to the potential circumvention of cardiovascular risks associated with anti-inflammatory cyclooxygenase 2 inhibitors (coxibs) by targeting the prostaglandin pathway downstream of PGH2 synthesis and avoiding suppression of antithrombotic prostacyclin production. We determined the crystal structure of mPGES-1 bound to four potent inhibitors in order to understand their structure-activity relationships and provide a framework for the rational design of improved molecules. In addition, we developed a light-scattering-based thermal stability assay to identify molecules for crystallographic studies.
-The entry 4yl0 is ON HOLD  until Paper Publication
+Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.,Luz JG, Antonysamy S, Kuklish SL, Condon B, Lee MR, Allison D, Yu XP, Chandrasekhar S, Backer R, Zhang A, Russell M, Chang SS, Harvey A, Sloan AV, Fisher MJ J Med Chem. 2015 May 20. PMID:25961169<ref>PMID:25961169</ref>
-Authors: Luz, J.G., Antonysamy, S., Kuklish, S.L., Fisher, M.J.
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-Description: Crystal Structures of mPGES-1 Inhibitor Complexes
+== References ==
-[[Category: Unreleased Structures]]
+<references/>
-[[Category: Luz, J.G]]
+__TOC__
-[[Category: Fisher, M.J]]
+</StructureSection>
-[[Category: Kuklish, S.L]]
+[[Category: Prostaglandin-E synthase]]
 [[Category: Antonysamy, S]]
+[[Category: Fisher, M J]]
+[[Category: Kuklish, S L]]
+[[Category: Luz, J G]]
+[[Category: Inflammation]]
+[[Category: Isomerase-isomerase inhibitor complex]]
+[[Category: Prostaglandin]]