5owc

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(New page: '''Unreleased structure''' The entry 5owc is ON HOLD Authors: Sandmark, J.S., Roth, R.G., Knerr, L., Bodin, C., Pettersen, D. Description: Indole-2 carboxamides as selective secreted p...)
Current revision (01:26, 28 December 2023) (edit) (undo)
 
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'''Unreleased structure'''
 
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The entry 5owc is ON HOLD
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==Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors==
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<StructureSection load='5owc' size='340' side='right'caption='[[5owc]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[5owc]] 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=5OWC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5OWC FirstGlance]. <br>
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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]] 1.75&#8491;</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=AYZ:3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]propanoic+acid'>AYZ</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></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=5owc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5owc OCA], [https://pdbe.org/5owc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5owc RCSB], [https://www.ebi.ac.uk/pdbsum/5owc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5owc ProSAT]</span></td></tr>
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</table>
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== Function ==
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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;">
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== Publication Abstract from PubMed ==
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In order to assess the potential of sPLA2-X as a therapeutic target for atherosclerosis, novel sPLA2 inhibitors with improved type X selectivity are required. To achieve the objective of identifying such compounds, we embarked on a lead generation effort that resulted in the identification of a novel series of indole-2-carboxamides as selective sPLA2-X inhibitors with excellent potential for further optimization.
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Authors: Sandmark, J.S., Roth, R.G., Knerr, L., Bodin, C., Pettersen, D.
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Discovery of a Series of Indole-2 Carboxamides as Selective Secreted Phospholipase A2 Type X (sPLA2-X) Inhibitors.,Knerr L, Giordanetto F, Nordberg P, Pettersen D, Selmi N, Beisel HG, de la Motte H, Olsson T, Perkins TDJ, Herslof M, Mansson A, Dahlstrom M, Starke I, Broddefalk J, Saarinen G, Klingegard F, Hurt-Camejo E, Rosengren B, Brengdahl J, Jansen F, Rohman M, Sandmark J, Hallberg K, Akerud T, Roth RG, Ahlqvist M ACS Med Chem Lett. 2018 Jun 23;9(7):594-599. doi: 10.1021/acsmedchemlett.7b00505., eCollection 2018 Jul 12. PMID:30034585<ref>PMID:30034585</ref>
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Description: Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Sandmark, J.S]]
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<div class="pdbe-citations 5owc" style="background-color:#fffaf0;"></div>
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[[Category: Knerr, L]]
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[[Category: Pettersen, D]]
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==See Also==
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[[Category: Roth, R.G]]
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*[[Phospholipase A2 3D structures|Phospholipase A2 3D structures]]
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[[Category: Bodin, C]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Homo sapiens]]
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[[Category: Large Structures]]
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[[Category: Bodin C]]
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[[Category: Knerr L]]
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[[Category: Pettersen D]]
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[[Category: Roth RG]]
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[[Category: Sandmark JS]]

Current revision

Indole-2 carboxamides as selective secreted phospholipase A2 type X (sPLA2-X) inhibitors

PDB ID 5owc

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