4uy1

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==Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors==
==Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors==
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<StructureSection load='4uy1' size='340' side='right' caption='[[4uy1]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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<StructureSection load='4uy1' size='340' side='right'caption='[[4uy1]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4uy1]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UY1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UY1 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4uy1]] is a 2 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=4UY1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4UY1 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=1PE:PENTAETHYLENE+GLYCOL'>1PE</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=TJM:5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE'>TJM</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]] 2.2&#8491;</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Phospholipase_A(2) Phospholipase A(2)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.4 3.1.1.4] </span></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=1PE:PENTAETHYLENE+GLYCOL'>1PE</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=TJM:5-(2,5-DIMETHYL-3-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE'>TJM</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=4uy1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uy1 OCA], [http://pdbe.org/4uy1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4uy1 RCSB], [http://www.ebi.ac.uk/pdbsum/4uy1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4uy1 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=4uy1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uy1 OCA], [https://pdbe.org/4uy1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4uy1 RCSB], [https://www.ebi.ac.uk/pdbsum/4uy1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4uy1 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/PA2GX_HUMAN PA2GX_HUMAN]] PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides. Has a powerful potency for releasing arachidonic acid from cell membrane phospholipids. Prefers phosphatidylethanolamine and phosphatidylcholine liposomes to those of phosphatidylserine.
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[https://www.uniprot.org/uniprot/PA2GX_HUMAN PA2GX_HUMAN] PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides. Has a powerful potency for releasing arachidonic acid from cell membrane phospholipids. Prefers phosphatidylethanolamine and phosphatidylcholine liposomes to those of phosphatidylserine.
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<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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==See Also==
==See Also==
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*[[Phospholipase A2|Phospholipase A2]]
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*[[Phospholipase A2 3D structures|Phospholipase A2 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Bodin, C]]
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[[Category: Homo sapiens]]
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[[Category: Chen, H]]
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[[Category: Large Structures]]
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[[Category: Hallberg, K]]
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[[Category: Bodin C]]
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[[Category: Oster, L]]
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[[Category: Chen H]]
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[[Category: Sandmark, J]]
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[[Category: Hallberg K]]
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[[Category: Drug discovery]]
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[[Category: Oster L]]
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[[Category: Fragment based lead generation]]
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[[Category: Sandmark J]]
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[[Category: Hydrolase]]
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[[Category: Virtual screening]]
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Novel pyrazole series of group X Secretory Phospholipase A2 (sPLA2-X) inhibitors

PDB ID 4uy1

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