OCA at 10:12, 5 September 2018

OCA — Wed, 05 Sep 2018 10:12:38 GMT

←Older revision		Revision as of 10:12, 5 September 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6g5j is ~~ON HOLD until Paper~~ Publication	+	==Secreted phospholipase A2 type X in complex with ligand==
		+	<StructureSection load='6g5j' size='340' side='right' caption='[[6g5j]], [[Resolution\|resolution]] 1.85Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6g5j]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6G5J OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6G5J FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EM8:(3~{R})-3-[3-[2-aminocarbonyl-6-(trifluoromethyloxy)indol-1-yl]phenyl]butanoic+acid'>EM8</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Phospholipase_A(2) Phospholipase A(2)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.4 3.1.1.4] </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=6g5j FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6g5j OCA], [http://pdbe.org/6g5j PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6g5j RCSB], [http://www.ebi.ac.uk/pdbsum/6g5j PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6g5j ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://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.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	A lead generation campaign identified indole-based sPLA2-X inhibitors with a promising selectivity profile against other sPLA2 isoforms. Further optimization of sPLA2 selectivity and metabolic stability resulted in the design of (-)-17, a novel, potent, and selective sPLA2-X inhibitor with an exquisite pharmacokinetic profile characterized by high absorption and low clearance, and low toxicological risk. Compound (-)-17 was tested in an ApoE(-/-) murine model of atherosclerosis to evaluate the effect of reversible, pharmacological sPLA2-X inhibition on atherosclerosis development. Despite being well tolerated and achieving adequate systemic exposure of mechanistic relevance, (-)-17 did not significantly affect circulating lipid and lipoprotein biomarkers and had no effect on coronary function or histological markers of atherosclerosis.

-	~~Authors: Sandmark, J~~., ~~Oster~~, L.	+	Design of Selective sPLA2-X Inhibitor (-)-2-{2-[Carbamoyl-6-(trifluoromethoxy)-1H-indol-1-yl]pyridine-2-yl}propanoic Acid.,Giordanetto F, Knerr L, Nordberg P, Pettersen D, Selmi N, Beisel HG, de la Motte H, Mansson A, Dahlstrom M, Broddefalk J, Saarinen G, Klingegard F, Hurt-Camejo E, Rosengren B, Wikstrom J, Wagberg M, Brengdahl J, Rohman M, Sandmark J, Akerud T, Roth RG, Jansen F, Ahlqvist M ACS Med Chem Lett. 2018 Jun 23;9(7):600-605. doi: 10.1021/acsmedchemlett.7b00507., eCollection 2018 Jul 12. PMID:30034586<ref>PMID:30034586</ref>

-	~~Description: Secreted phospholipase A2 type X in complex with ligand~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
		+	<div class="pdbe-citations 6g5j" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Oster, L]]		[[Category: Oster, L]]
	[[Category: Sandmark, J]]		[[Category: Sandmark, J]]
		+	[[Category: Hydrolase]]
		+	[[Category: Secretory phospholipase a2 type x spla2x spla2-x phospholipase enzyme inhibitor complex]]

OCA at 04:24, 18 April 2018

OCA — Wed, 18 Apr 2018 04:24:52 GMT

←Older revision		Revision as of 04:24, 18 April 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6g5j is ON HOLD	+	The entry 6g5j is ON HOLD until Paper Publication

	Authors: Sandmark, J., Oster, L.		Authors: Sandmark, J., Oster, L.

OCA: Protected "6g5j" [edit=sysop:move=sysop]

OCA — Wed, 11 Apr 2018 12:37:55 GMT

Protected "6g5j" [edit=sysop:move=sysop]

←Older revision

Revision as of 12:37, 11 April 2018

OCA: New page: '''Unreleased structure''' The entry 6g5j is ON HOLD Authors: Sandmark, J., Oster, L. Description: Secreted phospholipase A2 type X in complex with ligand [[Category: Unreleased Struct...

OCA — Wed, 11 Apr 2018 12:37:53 GMT

New page: '''Unreleased structure''' The entry 6g5j is ON HOLD Authors: Sandmark, J., Oster, L. Description: Secreted phospholipase A2 type X in complex with ligand [[Category: Unreleased Struct...

New page

'''Unreleased structure'''

The entry 6g5j is ON HOLD

Authors: Sandmark, J., Oster, L.

Description: Secreted phospholipase A2 type X in complex with ligand
[[Category: Unreleased Structures]]
[[Category: Oster, L]]
[[Category: Sandmark, J]]

6g5j - Revision history

OCA at 10:12, 5 September 2018

OCA at 04:24, 18 April 2018

OCA: Protected "6g5j" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 6g5j is ON HOLD Authors: Sandmark, J., Oster, L. Description: Secreted phospholipase A2 type X in complex with ligand [[Category: Unreleased Struct...