4j03: Difference between revisions
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==Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant== | |||
<StructureSection load='4j03' size='340' side='right' caption='[[4j03]], [[Resolution|resolution]] 2.92Å' scene=''> | |||
{ | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4j03]] 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=4J03 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4J03 FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FVS:(7BETA,9BETA,13ALPHA,17BETA)-7-{9-[(R)-(4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL]NONYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL'>FVS</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=4j03 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4j03 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4j03 RCSB], [http://www.ebi.ac.uk/pdbsum/4j03 PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The soluble epoxide hydrolase (sEH) is a key enzyme in the metabolism of epoxy-fatty acids, signaling molecules involved in numerous biologies. Toward finding novel inhibitors of sEH, a library of known drugs was tested for inhibition of sEH. We found that fulvestrant, an anticancer agent, is a potent (KI=26nM) competitive inhibitor of sEH. From this observation, we found that alkyl-sulfoxides represent a new kind of pharmacophore for the inhibition of sEH. | |||
Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides.,Morisseau C, Pakhomova S, Hwang SH, Newcomer ME, Hammock BD Bioorg Med Chem Lett. 2013 Jul 1;23(13):3818-21. doi: 10.1016/j.bmcl.2013.04.083., Epub 2013 May 6. PMID:23684894<ref>PMID:23684894</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: Hammock, B D | [[Category: Hammock, B D]] | ||
[[Category: Hwang, S H | [[Category: Hwang, S H]] | ||
[[Category: Morisseau, C | [[Category: Morisseau, C]] | ||
[[Category: Newcomer, M E | [[Category: Newcomer, M E]] | ||
[[Category: Pakhomova, S | [[Category: Pakhomova, S]] | ||
[[Category: Domain-swapped dimer]] | [[Category: Domain-swapped dimer]] | ||
[[Category: Hydrolase-hydrolase inhibitor complex]] | [[Category: Hydrolase-hydrolase inhibitor complex]] | ||
Revision as of 12:47, 21 December 2014
Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant
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