5wdj - Revision history

OCA at 07:07, 31 October 2018

OCA — Wed, 31 Oct 2018 07:07:46 GMT

←Older revision		Revision as of 07:07, 31 October 2018
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	<StructureSection load='5wdj' size='340' side='right' caption='[[5wdj]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='5wdj' size='340' side='right' caption='[[5wdj]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5wdj]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WDJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WDJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5wdj]] is a 4 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=5WDJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WDJ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AEY:7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine'>AEY</scene>, <scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AEY:7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine'>AEY</scene>, <scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">MPO ([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/Myeloperoxidase Myeloperoxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.2.2 1.11.2.2] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Myeloperoxidase Myeloperoxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.2.2 1.11.2.2] </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=5wdj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wdj OCA], [http://pdbe.org/5wdj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5wdj RCSB], [http://www.ebi.ac.uk/pdbsum/5wdj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5wdj 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=5wdj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wdj OCA], [http://pdbe.org/5wdj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5wdj RCSB], [http://www.ebi.ac.uk/pdbsum/5wdj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5wdj ProSAT]</span></td></tr>
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	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/PERM_HUMAN PERM_HUMAN]] Part of the host defense system of polymorphonuclear leukocytes. It is responsible for microbicidal activity against a wide range of organisms. In the stimulated PMN, MPO catalyzes the production of hypohalous acids, primarily hypochlorous acid in physiologic situations, and other toxic intermediates that greatly enhance PMN microbicidal activity.		[[http://www.uniprot.org/uniprot/PERM_HUMAN PERM_HUMAN]] Part of the host defense system of polymorphonuclear leukocytes. It is responsible for microbicidal activity against a wide range of organisms. In the stimulated PMN, MPO catalyzes the production of hypohalous acids, primarily hypochlorous acid in physiologic situations, and other toxic intermediates that greatly enhance PMN microbicidal activity.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Myeloperoxidase, a mammalian peroxidase involved in the immune system as an anti-microbial first responder, can produce hypochlorous acid in response to invading pathogens. Myeloperoxidase has been implicated in several chronic pathological diseases due to the chronic production of hypochlorous acid, as well as other reactive radical species. A high throughput screen and triaging protocol was developed to identify a reversible inhibitor of myeloperoxidase toward the potential treatment of chronic diseases such as atherosclerosis. The identification and characterization of a reversible myeloperoxidase inhibitor, 7-(benzyloxy)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine is described.
		+
		+	Triazolopyrimidines identified as reversible myeloperoxidase inhibitors.,Duclos F, Abell LM, Harden DG, Pike K, Nowak K, Locke GA, Duke GJ, Liu X, Fernando G, Shaw SA, Vokits BP, Wurtz NR, Viet A, Valente MN, Stachura S, Sleph P, Khan JA, Gao J, Dongre AR, Zhao L, Wexler RR, Gordon DA, Kick EK Medchemcomm. 2017 Oct 26;8(11):2093-2099. doi: 10.1039/c7md00268h. eCollection, 2017 Nov 1. PMID:30108726<ref>PMID:30108726</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5wdj" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Myeloperoxidase\|Myeloperoxidase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Myeloperoxidase]]		[[Category: Myeloperoxidase]]
	[[Category: Khan, J A]]		[[Category: Khan, J A]]
	[[Category: Metal binding protein]]		[[Category: Metal binding protein]]

OCA at 05:39, 18 April 2018

OCA — Wed, 18 Apr 2018 05:39:29 GMT

←Older revision		Revision as of 05:39, 18 April 2018
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-	'''Unreleased structure'''

-	~~The entry 5wdj is ON HOLD~~	+	==CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE==
-		+	<StructureSection load='5wdj' size='340' side='right' caption='[[5wdj]], [[Resolution\|resolution]] 2.40Å' scene=''>
-	~~Authors: Khan, J.A.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5wdj]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WDJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5WDJ FirstGlance]. <br>
-	~~Description:~~ CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AEY:7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine'>AEY</scene>, <scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></td></tr>
-	[[Category: Khan, J.A]]	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Myeloperoxidase Myeloperoxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.11.2.2 1.11.2.2] </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=5wdj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wdj OCA], [http://pdbe.org/5wdj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5wdj RCSB], [http://www.ebi.ac.uk/pdbsum/5wdj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5wdj ProSAT]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[[http://www.uniprot.org/uniprot/PERM_HUMAN PERM_HUMAN]] Defects in MPO are the cause of myeloperoxidase deficiency (MPOD) [MIM:[http://omim.org/entry/254600 254600]]. A disorder characterized by decreased myeloperoxidase activity in neutrophils and monocytes that results in disseminated candidiasis.<ref>PMID:8142659</ref> <ref>PMID:7904599</ref> <ref>PMID:8621627</ref> <ref>PMID:9637725</ref> <ref>PMID:9354683</ref>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PERM_HUMAN PERM_HUMAN]] Part of the host defense system of polymorphonuclear leukocytes. It is responsible for microbicidal activity against a wide range of organisms. In the stimulated PMN, MPO catalyzes the production of hypohalous acids, primarily hypochlorous acid in physiologic situations, and other toxic intermediates that greatly enhance PMN microbicidal activity.
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Myeloperoxidase]]
		+	[[Category: Khan, J A]]
		+	[[Category: Metal binding protein]]

OCA at 12:13, 11 April 2018

OCA — Wed, 11 Apr 2018 12:13:21 GMT

←Older revision		Revision as of 12:13, 11 April 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5wdj is ON HOLD ~~until Paper Publication~~	+	The entry 5wdj is ON HOLD

-	Authors: ~~Khan, J.A.,~~ Khan, J.A.	+	Authors: Khan, J.A.

	Description: CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE		Description: CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Khan, J.A]]		[[Category: Khan, J.A]]

OCA: Protected "5wdj" [edit=sysop:move=sysop]

OCA — Wed, 27 Sep 2017 14:42:47 GMT

Protected "5wdj" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:42, 27 September 2017

OCA: New page: '''Unreleased structure''' The entry 5wdj is ON HOLD until Paper Publication Authors: Khan, J.A., Khan, J.A. Description: CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX W...

OCA — Wed, 27 Sep 2017 14:42:45 GMT

New page: '''Unreleased structure''' The entry 5wdj is ON HOLD until Paper Publication Authors: Khan, J.A., Khan, J.A. Description: CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX W...

New page

'''Unreleased structure'''

The entry 5wdj is ON HOLD until Paper Publication

Authors: Khan, J.A., Khan, J.A.

Description: CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE
[[Category: Unreleased Structures]]
[[Category: Khan, J.A]]