4hai
From Proteopedia
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| - | [[ | + | ==Crystal structure of human soluble epoxide hydrolase complexed with N-cycloheptyl-1-(mesitylsulfonyl)piperidine-4-carboxamide.== |
| + | <StructureSection load='4hai' size='340' side='right' caption='[[4hai]], [[Resolution|resolution]] 2.55Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4hai]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4HAI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4HAI FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=I23:N-CYCLOHEPTYL-1-[(2,4,6-TRIMETHYLPHENYL)SULFONYL]PIPERIDINE-4-CARBOXAMIDE'>I23</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">EPHX2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</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=4hai FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4hai OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4hai RCSB], [http://www.ebi.ac.uk/pdbsum/4hai PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | A series of potent amide non-urea inhibitors of soluble epoxide hydrolase (sEH) is disclosed. The inhibition of soluble epoxide hydrolase leads to elevated levels of epoxyeicosatrienoic acids (EETs), and thus inhibitors of sEH represent one of a novel approach to the development of vasodilatory and anti-inflammatory drugs. Structure-activities studies guided optimization of a lead compound, identified through high-throughput screening, gave rise to sub-nanomolar inhibitors of human sEH with stability in human liver microsomal assay suitable for preclinical development. | ||
| - | + | Synthesis and structure-activity relationship of piperidine-derived non-urea soluble epoxide hydrolase inhibitors.,Pecic S, Pakhomova S, Newcomer ME, Morisseau C, Hammock BD, Zhu Z, Rinderspacher A, Deng SX Bioorg Med Chem Lett. 2013 Jan 15;23(2):417-21. doi: 10.1016/j.bmcl.2012.11.084. , Epub 2012 Dec 1. PMID:23237835<ref>PMID:23237835</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | == References == | |
| - | + | <references/> | |
| - | == | + | __TOC__ |
| - | + | </StructureSection> | |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| - | [[Category: Deng, S | + | [[Category: Deng, S]] |
| - | [[Category: Hammock, B D | + | [[Category: Hammock, B D]] |
| - | [[Category: Morisseau, C | + | [[Category: Morisseau, C]] |
| - | [[Category: Newcomer, M E | + | [[Category: Newcomer, M E]] |
| - | [[Category: Pakhomova, S | + | [[Category: Pakhomova, S]] |
| - | [[Category: Pecic, S | + | [[Category: Pecic, S]] |
| - | [[Category: Zhu, Z | + | [[Category: Zhu, Z]] |
[[Category: Domain-swapped dimer]] | [[Category: Domain-swapped dimer]] | ||
[[Category: Hydrolase-hydrolase inhibitor complex]] | [[Category: Hydrolase-hydrolase inhibitor complex]] | ||
Revision as of 09:50, 10 December 2014
Crystal structure of human soluble epoxide hydrolase complexed with N-cycloheptyl-1-(mesitylsulfonyl)piperidine-4-carboxamide.
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