4d3k - Revision history

OCA at 10:46, 11 August 2016

OCA — Thu, 11 Aug 2016 10:46:43 GMT

←Older revision		Revision as of 10:46, 11 August 2016
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		+
	==Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)==		==Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)==
	<StructureSection load='4d3k' size='340' side='right' caption='[[4d3k]], [[Resolution\|resolution]] 2.02Å' scene=''>		<StructureSection load='4d3k' size='340' side='right' caption='[[4d3k]], [[Resolution\|resolution]] 2.02Å' scene=''>
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	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d3i\|4d3i]], [[4d3j\|4d3j]], [[4d3m\|4d3m]], [[4d3n\|4d3n]], [[4d3o\|4d3o]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d3i\|4d3i]], [[4d3j\|4d3j]], [[4d3m\|4d3m]], [[4d3n\|4d3n]], [[4d3o\|4d3o]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NAD(P)H-dependent) Nitric-oxide synthase (NAD(P)H-dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.165 1.14.13.165] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NAD(P)H-dependent) Nitric-oxide synthase (NAD(P)H-dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.165 1.14.13.165] </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=4d3k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d3k OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4d3k RCSB], [http://www.ebi.ac.uk/pdbsum/4d3k 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=4d3k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d3k OCA], [http://pdbe.org/4d3k PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4d3k RCSB], [http://www.ebi.ac.uk/pdbsum/4d3k PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4d3k ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	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 4d3k" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 13:31, 14 January 2015

OCA — Wed, 14 Jan 2015 13:31:44 GMT

←Older revision		Revision as of 13:31, 14 January 2015
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-	'''~~Unreleased~~ structure'''	+	==Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine)==
		+	<StructureSection load='4d3k' size='340' side='right' caption='[[4d3k]], [[Resolution\|resolution]] 2.02Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4d3k]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4D3K OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4D3K FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=12S:6,6-{[5-(3-AMINOPROPYL)BENZENE-1,3-DIYL]DIETHANE-2,1-DIYL}BIS(4-METHYLPYRIDIN-2-AMINE)'>12S</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d3i\|4d3i]], [[4d3j\|4d3j]], [[4d3m\|4d3m]], [[4d3n\|4d3n]], [[4d3o\|4d3o]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NAD(P)H-dependent) Nitric-oxide synthase (NAD(P)H-dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.165 1.14.13.165] </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=4d3k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d3k OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4d3k RCSB], [http://www.ebi.ac.uk/pdbsum/4d3k PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/NOSO_BACSU NOSO_BACSU]] Catalyzes the production of nitric oxide.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Inhibition of bacterial nitric oxide synthase (bNOS) has the potential to improve the efficacy of antimicrobials used to treat infections by Gram-positive pathogens Staphylococcus aureus and Bacillus anthracis. However, inhibitor specificity toward bNOS over the mammalian NOS (mNOS) isoforms remains a challenge because of the near identical NOS active sites. One key structural difference between the NOS isoforms is the amino acid composition of the pterin cofactor binding site that is adjacent to the NOS active site. Previously, we demonstrated that a NOS inhibitor targeting both the active and pterin sites was potent and functioned as an antimicrobial ( Holden , , Proc. Natl. Acad. Sci. U.S.A. 2013 , 110 , 18127 ). Here we present additional crystal structures, binding analyses, and bacterial killing studies of inhibitors that target both the active and pterin sites of a bNOS and function as antimicrobials. Together, these data provide a framework for continued development of bNOS inhibitors, as each molecule represents an excellent chemical scaffold for the design of isoform selective bNOS inhibitors.

-	~~The entry 4d3k is ON HOLD until Paper Publication~~	+	Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.,Holden JK, Kang S, Hollingsworth SA, Li H, Lim N, Chen S, Huang H, Xue F, Tang W, Silverman RB, Poulos TL J Med Chem. 2015 Jan 6. PMID:25522110<ref>PMID:25522110</ref>

-	~~Authors~~: Holden, J.K., Poulos, T.L.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description: Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)~~	+	== References ==
-	[[Category: ~~Unreleased Structures~~]]	+	<references/>
-	[[Category: ~~Holden, J.K~~]]	+	__TOC__
-	[[Category: ~~Poulos, T.L~~]]	+	</StructureSection>
		+	[[Category: Holden, J K]]
		+	[[Category: Poulos, T L]]
		+	[[Category: Nitric]]
		+	[[Category: Nitric oxide synthase]]
		+	[[Category: Oxidoreductase]]

OCA at 13:43, 24 December 2014

OCA — Wed, 24 Dec 2014 13:43:41 GMT

←Older revision		Revision as of 13:43, 24 December 2014
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	Description: Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)		Description: Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)
		+	[[Category: Unreleased Structures]]
		+	[[Category: Holden, J.K]]
		+	[[Category: Poulos, T.L]]

OCA at 07:19, 5 November 2014

OCA — Wed, 05 Nov 2014 07:19:09 GMT

←Older revision		Revision as of 07:19, 5 November 2014
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4d3k is ON HOLD	+	The entry 4d3k is ON HOLD until Paper Publication

	Authors: Holden, J.K., Poulos, T.L.		Authors: Holden, J.K., Poulos, T.L.

	Description: Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)		Description: Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)

OCA: Protected "4d3k" [edit=sysop:move=sysop]

OCA — Wed, 29 Oct 2014 09:46:29 GMT

Protected "4d3k" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:46, 29 October 2014

OCA: New page: '''Unreleased structure''' The entry 4d3k is ON HOLD Authors: Holden, J.K., Poulos, T.L. Description: Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-a...

OCA — Wed, 29 Oct 2014 09:46:27 GMT

New page: '''Unreleased structure''' The entry 4d3k is ON HOLD Authors: Holden, J.K., Poulos, T.L. Description: Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-a...

New page

'''Unreleased structure'''

The entry 4d3k is ON HOLD

Authors: Holden, J.K., Poulos, T.L.

Description: Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)