4y2t - Revision history

OCA at 15:33, 8 November 2023

OCA — Wed, 08 Nov 2023 15:33:42 GMT

←Older revision		Revision as of 15:33, 8 November 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4y2t]] is a 1 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=4Y2T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4Y2T FirstGlance]. <br>		<table><tr><td colspan='2'>[[4y2t]] is a 1 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=4Y2T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4Y2T FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=49Q:3-[4-(BENZYLOXY)PHENYL]PROPAN-1-OL'>49Q</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.4Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=49Q:3-[4-(BENZYLOXY)PHENYL]PROPAN-1-OL'>49Q</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4y2t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4y2t OCA], [https://pdbe.org/4y2t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4y2t RCSB], [https://www.ebi.ac.uk/pdbsum/4y2t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4y2t ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4y2t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4y2t OCA], [https://pdbe.org/4y2t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4y2t RCSB], [https://www.ebi.ac.uk/pdbsum/4y2t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4y2t ProSAT]</span></td></tr>
	</table>		</table>

OCA at 18:04, 26 April 2023

OCA — Wed, 26 Apr 2023 18:04:16 GMT

←Older revision		Revision as of 18:04, 26 April 2023
Line 3:		Line 3:
	<StructureSection load='4y2t' size='340' side='right'caption='[[4y2t]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='4y2t' size='340' side='right'caption='[[4y2t]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4y2t]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4Y2T OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4Y2T FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4y2t]] is a 1 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=4Y2T OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4Y2T FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=49Q:3-[4-(BENZYLOXY)PHENYL]PROPAN-1-OL'>49Q</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=49Q:3-[4-(BENZYLOXY)PHENYL]PROPAN-1-OL'>49Q</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4y2j\|4y2j]], [[4y2p\|4y2p]], [[4y2q\|4y2q]], [[4y2r\|4y2r]], [[4y2s\|4y2s]], [[4y2u\|4y2u]], [[4y2v\|4y2v]], [[4y2x\|4y2x]], [[4y2y\|4y2y]]</td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4y2t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4y2t OCA], [https://pdbe.org/4y2t PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4y2t RCSB], [https://www.ebi.ac.uk/pdbsum/4y2t PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4y2t ProSAT]</span></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 HUMAN])</td></tr>~~	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Soluble_epoxide_hydrolase Soluble epoxide hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.2.10 3.3.2.10] </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=4y2t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4y2t OCA], [~~http~~://pdbe.org/4y2t PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4y2t RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4y2t PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4y2t ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/HYES_HUMAN HYES_HUMAN]] Bifunctional enzyme. The C-terminal domain has epoxide hydrolase activity and acts on epoxides (alkene oxides, oxiranes) and arene oxides. Plays a role in xenobiotic metabolism by degrading potentially toxic epoxides. Also determines steady-state levels of physiological mediators. The N-terminal domain has lipid phosphatase activity, with the highest activity towards threo-9,10-phosphonooxy-hydroxy-octadecanoic acid, followed by erythro-9,10-phosphonooxy-hydroxy-octadecanoic acid, 12-phosphonooxy-octadec-9Z-enoic acid, 12-phosphonooxy-octadec-9E-enoic acid, and p-nitrophenyl phospate.<ref>PMID:12574508</ref> <ref>PMID:12574510</ref>	+	[https://www.uniprot.org/uniprot/HYES_HUMAN HYES_HUMAN] Bifunctional enzyme. The C-terminal domain has epoxide hydrolase activity and acts on epoxides (alkene oxides, oxiranes) and arene oxides. Plays a role in xenobiotic metabolism by degrading potentially toxic epoxides. Also determines steady-state levels of physiological mediators. The N-terminal domain has lipid phosphatase activity, with the highest activity towards threo-9,10-phosphonooxy-hydroxy-octadecanoic acid, followed by erythro-9,10-phosphonooxy-hydroxy-octadecanoic acid, 12-phosphonooxy-octadec-9Z-enoic acid, 12-phosphonooxy-octadec-9E-enoic acid, and p-nitrophenyl phospate.<ref>PMID:12574508</ref> <ref>PMID:12574510</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 28:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Soluble epoxide hydrolase]]~~	+	[[Category: Amano Y]]
-	[[Category: Amano, Y]]	+	[[Category: Yamaguchi T]]
-	[[Category: Yamaguchi, T]]	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex~~]]	+

OCA at 08:42, 5 February 2020

OCA — Wed, 05 Feb 2020 08:42:49 GMT

←Older revision		Revision as of 08:42, 5 February 2020
Line 23:		Line 23:

	==See Also==		==See Also==
-	*[[Epoxide hydrolase\|Epoxide hydrolase]]	+	*[[Epoxide hydrolase 3D structures\|Epoxide hydrolase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 00:03, 6 June 2019

OCA — Thu, 06 Jun 2019 00:03:46 GMT

←Older revision		Revision as of 00:03, 6 June 2019
Line 1:		Line 1:

	==Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol==		==Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol==
-	<StructureSection load='4y2t' size='340' side='right' caption='[[4y2t]], [[Resolution\|resolution]] 2.40Å' scene=''>	+	<StructureSection load='4y2t' size='340' side='right'caption='[[4y2t]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4y2t]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4Y2T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4Y2T FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4y2t]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4Y2T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4Y2T FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=49Q:3-[4-(BENZYLOXY)PHENYL]PROPAN-1-OL'>49Q</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=49Q:3-[4-(BENZYLOXY)PHENYL]PROPAN-1-OL'>49Q</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4y2j\|4y2j]], [[4y2p\|4y2p]], [[4y2q\|4y2q]], [[4y2r\|4y2r]], [[4y2s\|4y2s]], [[4y2u\|4y2u]], [[4y2v\|4y2v]], [[4y2x\|4y2x]], [[4y2y\|4y2y]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4y2j\|4y2j]], [[4y2p\|4y2p]], [[4y2q\|4y2q]], [[4y2r\|4y2r]], [[4y2s\|4y2s]], [[4y2u\|4y2u]], [[4y2v\|4y2v]], [[4y2x\|4y2x]], [[4y2y\|4y2y]]</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 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Soluble_epoxide_hydrolase Soluble epoxide hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.2.10 3.3.2.10] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Soluble_epoxide_hydrolase Soluble epoxide hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.2.10 3.3.2.10] </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=4y2t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4y2t OCA], [http://pdbe.org/4y2t PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4y2t RCSB], [http://www.ebi.ac.uk/pdbsum/4y2t PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4y2t ProSAT]</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=4y2t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4y2t OCA], [http://pdbe.org/4y2t PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4y2t RCSB], [http://www.ebi.ac.uk/pdbsum/4y2t PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4y2t ProSAT]</span></td></tr>
Line 27:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Soluble epoxide hydrolase]]		[[Category: Soluble epoxide hydrolase]]
	[[Category: Amano, Y]]		[[Category: Amano, Y]]

OCA at 01:48, 10 March 2017

OCA — Fri, 10 Mar 2017 01:48:56 GMT

←Older revision		Revision as of 01:48, 10 March 2017
Line 1:		Line 1:
		+
	==Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol==		==Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol==
	<StructureSection load='4y2t' size='340' side='right' caption='[[4y2t]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='4y2t' size='340' side='right' caption='[[4y2t]], [[Resolution\|resolution]] 2.40Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4y2j\|4y2j]], [[4y2p\|4y2p]], [[4y2q\|4y2q]], [[4y2r\|4y2r]], [[4y2s\|4y2s]], [[4y2u\|4y2u]], [[4y2v\|4y2v]], [[4y2x\|4y2x]], [[4y2y\|4y2y]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4y2j\|4y2j]], [[4y2p\|4y2p]], [[4y2q\|4y2q]], [[4y2r\|4y2r]], [[4y2s\|4y2s]], [[4y2u\|4y2u]], [[4y2v\|4y2v]], [[4y2x\|4y2x]], [[4y2y\|4y2y]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Soluble_epoxide_hydrolase Soluble epoxide hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.2.10 3.3.2.10] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Soluble_epoxide_hydrolase Soluble epoxide hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.2.10 3.3.2.10] </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=4y2t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4y2t OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4y2t RCSB], [http://www.ebi.ac.uk/pdbsum/4y2t PDBsum]</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=4y2t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4y2t OCA], [http://pdbe.org/4y2t PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4y2t RCSB], [http://www.ebi.ac.uk/pdbsum/4y2t PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4y2t ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 4y2t" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Epoxide hydrolase\|Epoxide hydrolase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 12:50, 6 May 2015

OCA — Wed, 06 May 2015 12:50:54 GMT

←Older revision		Revision as of 12:50, 6 May 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol==
		+	<StructureSection load='4y2t' size='340' side='right' caption='[[4y2t]], [[Resolution\|resolution]] 2.40Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4y2t]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4Y2T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4Y2T FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=49Q:3-[4-(BENZYLOXY)PHENYL]PROPAN-1-OL'>49Q</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4y2j\|4y2j]], [[4y2p\|4y2p]], [[4y2q\|4y2q]], [[4y2r\|4y2r]], [[4y2s\|4y2s]], [[4y2u\|4y2u]], [[4y2v\|4y2v]], [[4y2x\|4y2x]], [[4y2y\|4y2y]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Soluble_epoxide_hydrolase Soluble epoxide hydrolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.2.10 3.3.2.10] </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=4y2t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4y2t OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4y2t RCSB], [http://www.ebi.ac.uk/pdbsum/4y2t PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/HYES_HUMAN HYES_HUMAN]] Bifunctional enzyme. The C-terminal domain has epoxide hydrolase activity and acts on epoxides (alkene oxides, oxiranes) and arene oxides. Plays a role in xenobiotic metabolism by degrading potentially toxic epoxides. Also determines steady-state levels of physiological mediators. The N-terminal domain has lipid phosphatase activity, with the highest activity towards threo-9,10-phosphonooxy-hydroxy-octadecanoic acid, followed by erythro-9,10-phosphonooxy-hydroxy-octadecanoic acid, 12-phosphonooxy-octadec-9Z-enoic acid, 12-phosphonooxy-octadec-9E-enoic acid, and p-nitrophenyl phospate.<ref>PMID:12574508</ref> <ref>PMID:12574510</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Soluble epoxide hydrolase (sEH) is a potential target for the treatment of inflammation and hypertension. X-ray crystallographic fragment screening was used to identify fragment hits and their binding modes. Eight fragment hits were identified via soaking of sEH crystals with fragment cocktails, and the co-crystal structures of these hits were determined via individual soaking. Based on the binding mode, N-ethylmethylamine was identified as a promising scaffold that forms hydrogen bonds with the catalytic residues of sEH, Asp335, Tyr383, and Tyr466. Compounds containing this scaffold were selected from an in-house chemical library and assayed. Although the starting fragment had a weak inhibitory activity (IC50: 800muM), we identified potent inhibitors including 2-({[2-(adamantan-1-yl)ethyl]amino}methyl)phenol exhibiting the highest inhibitory activity (IC50: 0.51muM). This corresponded to a more than 1500-fold increase in inhibitory activity compared to the starting fragment. Co-crystal structures of the hit compounds demonstrate that the binding of N-ethylmethylamine to catalytic residues is similar to that of the starting fragment. We therefore consider crystallographic fragment screening to be appropriate for the identification of weak but promising fragment hits.

-	~~The entry 4y2t is ON HOLD until Paper Publication~~	+	Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening.,Amano Y, Tanabe E, Yamaguchi T Bioorg Med Chem. 2015 May 15;23(10):2310-7. doi: 10.1016/j.bmc.2015.03.083. Epub , 2015 Apr 6. PMID:25862210<ref>PMID:25862210</ref>

-	~~Authors: Amano~~, Y.~~, Yamaguchi, T~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Soluble epoxide hydrolase]]
	[[Category: Amano, Y]]		[[Category: Amano, Y]]
	[[Category: Yamaguchi, T]]		[[Category: Yamaguchi, T]]
		+	[[Category: Hydrolase]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]

OCA at 10:14, 11 March 2015

OCA — Wed, 11 Mar 2015 10:14:35 GMT

←Older revision		Revision as of 10:14, 11 March 2015
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4y2t is ON HOLD	+	The entry 4y2t is ON HOLD until Paper Publication

	Authors: Amano, Y., Yamaguchi, T.		Authors: Amano, Y., Yamaguchi, T.

OCA: Protected "4y2t" [edit=sysop:move=sysop]

OCA — Wed, 18 Feb 2015 11:57:30 GMT

Protected "4y2t" [edit=sysop:move=sysop]

←Older revision

Revision as of 11:57, 18 February 2015

OCA: New page: '''Unreleased structure''' The entry 4y2t is ON HOLD Authors: Amano, Y., Yamaguchi, T. Description: Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan...

OCA — Wed, 18 Feb 2015 11:57:29 GMT

New page: '''Unreleased structure''' The entry 4y2t is ON HOLD Authors: Amano, Y., Yamaguchi, T. Description: Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan...

New page

'''Unreleased structure'''

The entry 4y2t is ON HOLD

Authors: Amano, Y., Yamaguchi, T.

Description: Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol
[[Category: Unreleased Structures]]
[[Category: Amano, Y]]
[[Category: Yamaguchi, T]]