OCA at 05:47, 3 July 2019

2019-07-03T05:47:26Z

←Older revision		Revision as of 05:47, 3 July 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6hgv is ~~ON HOLD~~	+	==Soluble epoxide hydrolase in complex with talinolol==
		+	<StructureSection load='6hgv' size='340' side='right'caption='[[6hgv]], [[Resolution\|resolution]] 2.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6hgv]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HGV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HGV FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=G3Q:R-Talinolol'>G3Q</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6hgv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hgv OCA], [http://pdbe.org/6hgv PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hgv RCSB], [http://www.ebi.ac.uk/pdbsum/6hgv PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hgv ProSAT]</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 ==
		+	Selective optimization of side activities is a valuable source of novel lead structures in drug discovery. In this study, a computer-aided approach was used to deorphanize the pleiotropic cholesterol-lowering effects of the beta-blocker talinolol, which result from the inhibition of the enzyme soluble epoxide hydrolase (sEH). X-ray structure analysis of the sEH in complex with talinolol enables a straightforward optimization of inhibitory potency. The resulting lead structure exhibited in vivo activity in a rat model of diabetic neuropatic pain.

-	~~Authors:~~ Kramer, J~~.S.~~, ~~Pogoryelov~~, D., ~~Hiesinger~~, K., ~~Proschak~~, E.	+	Computer-Aided Selective Optimization of Side Activities of Talinolol.,Hiesinger K, Kramer JS, Achenbach J, Moser D, Weber J, Wittmann SK, Morisseau C, Angioni C, Geisslinger G, Kahnt AS, Kaiser A, Proschak A, Steinhilber D, Pogoryelov D, Wagner K, Hammock BD, Proschak E ACS Med Chem Lett. 2019 May 29;10(6):899-903. doi:, 10.1021/acsmedchemlett.9b00075. eCollection 2019 Jun 13. PMID:31223445<ref>PMID:31223445</ref>

-	~~Description: Soluble epoxide hydrolase in complex with talinolol~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: ~~Proschak, E~~]]	+	<div class="pdbe-citations 6hgv" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Hiesinger, K]]		[[Category: Hiesinger, K]]
		+	[[Category: Kramer, J S]]
	[[Category: Pogoryelov, D]]		[[Category: Pogoryelov, D]]
-	[[Category: ~~Kramer~~, ~~J.S~~]]	+	[[Category: Proschak, E]]
		+	[[Category: Complex]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Seh]]

OCA: Protected "6hgv" [edit=sysop:move=sysop]

2018-08-29T06:02:23Z

Protected "6hgv" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:02, 29 August 2018

OCA: New page: '''Unreleased structure''' The entry 6hgv is ON HOLD Authors: Kramer, J.S., Pogoryelov, D., Hiesinger, K., Proschak, E. Description: Soluble epoxide hydrolase in complex with talinolol...

2018-08-29T06:02:22Z

New page: '''Unreleased structure''' The entry 6hgv is ON HOLD Authors: Kramer, J.S., Pogoryelov, D., Hiesinger, K., Proschak, E. Description: Soluble epoxide hydrolase in complex with talinolol...

New page

'''Unreleased structure'''

The entry 6hgv is ON HOLD

Authors: Kramer, J.S., Pogoryelov, D., Hiesinger, K., Proschak, E.

Description: Soluble epoxide hydrolase in complex with talinolol
[[Category: Unreleased Structures]]
[[Category: Proschak, E]]
[[Category: Hiesinger, K]]
[[Category: Pogoryelov, D]]
[[Category: Kramer, J.S]]

6hgv - Revision history

OCA at 05:47, 3 July 2019

OCA: Protected "6hgv" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 6hgv is ON HOLD Authors: Kramer, J.S., Pogoryelov, D., Hiesinger, K., Proschak, E. Description: Soluble epoxide hydrolase in complex with talinolol...