4d3v - Revision history

OCA at 12:20, 20 December 2023

OCA — Wed, 20 Dec 2023 12:20:17 GMT

←Older revision		Revision as of 12:20, 20 December 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4d3v]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_subtilis_subsp._subtilis_str._168 Bacillus subtilis subsp. subtilis str. 168]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4D3V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4D3V FirstGlance]. <br>		<table><tr><td colspan='2'>[[4d3v]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_subtilis_subsp._subtilis_str._168 Bacillus subtilis subsp. subtilis str. 168]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4D3V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4D3V FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=POL:N-PROPANOL'>POL</scene>, <scene name='pdbligand=RFQ:N-{3-[(1S)-2-(3-{(Z)-[AMINO(THIOPHEN-2-YL)METHYLIDENE]AMINO}PHENOXY)-1-HYDROXYETHYL]PHENYL}THIOPHENE-2-CARBOXIMIDAMIDE'>RFQ</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]] 1.88Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=POL:N-PROPANOL'>POL</scene>, <scene name='pdbligand=RFQ:N-{3-[(1S)-2-(3-{(Z)-[AMINO(THIOPHEN-2-YL)METHYLIDENE]AMINO}PHENOXY)-1-HYDROXYETHYL]PHENYL}THIOPHENE-2-CARBOXIMIDAMIDE'>RFQ</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=4d3v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d3v OCA], [https://pdbe.org/4d3v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4d3v RCSB], [https://www.ebi.ac.uk/pdbsum/4d3v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4d3v 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=4d3v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d3v OCA], [https://pdbe.org/4d3v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4d3v RCSB], [https://www.ebi.ac.uk/pdbsum/4d3v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4d3v ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/NOSO_BACSU NOSO_BACSU]] Catalyzes the production of nitric oxide.	+	[https://www.uniprot.org/uniprot/NOSO_BACSU NOSO_BACSU] Catalyzes the production of nitric oxide.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 07:45, 14 September 2022

OCA — Wed, 14 Sep 2022 07:45:56 GMT

←Older revision		Revision as of 07:45, 14 September 2022
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	<StructureSection load='4d3v' size='340' side='right'caption='[[4d3v]], [[Resolution\|resolution]] 1.88Å' scene=''>		<StructureSection load='4d3v' size='340' side='right'caption='[[4d3v]], [[Resolution\|resolution]] 1.88Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4d3v]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Bacsu Bacsu~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4D3V OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=4D3V FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4d3v]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_subtilis_subsp._subtilis_str._168 Bacillus subtilis subsp. subtilis str. 168]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4D3V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4D3V FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=POL:N-PROPANOL'>POL</scene>, <scene name='pdbligand=RFQ:N-{3-[(1S)-2-(3-{(Z)-[AMINO(THIOPHEN-2-YL)METHYLIDENE]AMINO}PHENOXY)-1-HYDROXYETHYL]PHENYL}THIOPHENE-2-CARBOXIMIDAMIDE'>RFQ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=POL:N-PROPANOL'>POL</scene>, <scene name='pdbligand=RFQ:N-{3-[(1S)-2-(3-{(Z)-[AMINO(THIOPHEN-2-YL)METHYLIDENE]AMINO}PHENOXY)-1-HYDROXYETHYL]PHENYL}THIOPHENE-2-CARBOXIMIDAMIDE'>RFQ</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d3i\|4d3i]], [[4d3j\|4d3j]], [[4d3k\|4d3k]], [[4d3m\|4d3m]], [[4d3n\|4d3n]], [[4d3o\|4d3o]], [[4d3t\|4d3t]], [[4d3u\|4d3u]]</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=4d3v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d3v OCA], [https://pdbe.org/4d3v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4d3v RCSB], [https://www.ebi.ac.uk/pdbsum/4d3v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4d3v ProSAT]</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~~://proteopedia.org/fgij/fg.htm?mol=4d3v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d3v OCA], [~~http~~://pdbe.org/4d3v PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4d3v RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4d3v PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4d3v ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/NOSO_BACSU NOSO_BACSU]] Catalyzes the production of nitric oxide.	+	[[https://www.uniprot.org/uniprot/NOSO_BACSU NOSO_BACSU]] Catalyzes the production of nitric oxide.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 27:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bacsu~~]]	+	[[Category: Bacillus subtilis subsp. subtilis str. 168]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Holden~~, J K~~]]	+	[[Category: Holden JK]]
-	[[Category: Poulos~~, T L]]~~	+	[[Category: Poulos TL]]
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 08:19, 4 November 2020

OCA — Wed, 04 Nov 2020 08:19:19 GMT

←Older revision		Revision as of 08:19, 4 November 2020
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	==Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide==		==Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide==
-	<StructureSection load='4d3v' size='340' side='right' caption='[[4d3v]], [[Resolution\|resolution]] 1.88Å' scene=''>	+	<StructureSection load='4d3v' size='340' side='right'caption='[[4d3v]], [[Resolution\|resolution]] 1.88Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4d3v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacsu Bacsu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4D3V OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4D3V FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4d3v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacsu Bacsu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4D3V OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=4D3V FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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=POL:N-PROPANOL'>POL</scene>, <scene name='pdbligand=RFQ:N-{3-[(1S)-2-(3-{(Z)-[AMINO(THIOPHEN-2-YL)METHYLIDENE]AMINO}PHENOXY)-1-HYDROXYETHYL]PHENYL}THIOPHENE-2-CARBOXIMIDAMIDE'>RFQ</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=POL:N-PROPANOL'>POL</scene>, <scene name='pdbligand=RFQ:N-{3-[(1S)-2-(3-{(Z)-[AMINO(THIOPHEN-2-YL)METHYLIDENE]AMINO}PHENOXY)-1-HYDROXYETHYL]PHENYL}THIOPHENE-2-CARBOXIMIDAMIDE'>RFQ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d3i\|4d3i]], [[4d3j\|4d3j]], [[4d3k\|4d3k]], [[4d3m\|4d3m]], [[4d3n\|4d3n]], [[4d3o\|4d3o]], [[4d3t\|4d3t]], [[4d3u\|4d3u]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d3i\|4d3i]], [[4d3j\|4d3j]], [[4d3k\|4d3k]], [[4d3m\|4d3m]], [[4d3n\|4d3n]], [[4d3o\|4d3o]], [[4d3t\|4d3t]], [[4d3u\|4d3u]]</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=4d3v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d3v OCA], [http://pdbe.org/4d3v PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4d3v RCSB], [http://www.ebi.ac.uk/pdbsum/4d3v PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4d3v ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=4d3v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d3v OCA], [http://pdbe.org/4d3v PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4d3v RCSB], [http://www.ebi.ac.uk/pdbsum/4d3v PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4d3v ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 22:		Line 22:

	==See Also==		==See Also==
-	*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]	+	*[[Nitric Oxide Synthase 3D structures\|Nitric Oxide Synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 28:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Bacsu]]		[[Category: Bacsu]]
		+	[[Category: Large Structures]]
	[[Category: Holden, J K]]		[[Category: Holden, J K]]
	[[Category: Poulos, T L]]		[[Category: Poulos, T L]]
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 09:12, 30 January 2019

OCA — Wed, 30 Jan 2019 09:12:07 GMT

←Older revision		Revision as of 09:12, 30 January 2019
Line 1:		Line 1:

-	==Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with ~~(S)-~~N-(3-(~~1-Hydroxy~~-2-(3-(~~thiophene~~-2-~~carboximidamido~~)phenoxy) ~~ethyl)~~phenyl)thiophene-2-carboximidamide==	+	==Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide==
	<StructureSection load='4d3v' size='340' side='right' caption='[[4d3v]], [[Resolution\|resolution]] 1.88Å' scene=''>		<StructureSection load='4d3v' size='340' side='right' caption='[[4d3v]], [[Resolution\|resolution]] 1.88Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4d3v]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4D3V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4D3V FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4d3v]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacsu Bacsu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4D3V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4D3V FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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=POL:N-PROPANOL'>POL</scene>, <scene name='pdbligand=RFQ:N-{3-[(1S)-2-(3-{(Z)-[AMINO(THIOPHEN-2-YL)METHYLIDENE]AMINO}PHENOXY)-1-HYDROXYETHYL]PHENYL}THIOPHENE-2-CARBOXIMIDAMIDE'>RFQ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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=POL:N-PROPANOL'>POL</scene>, <scene name='pdbligand=RFQ:N-{3-[(1S)-2-(3-{(Z)-[AMINO(THIOPHEN-2-YL)METHYLIDENE]AMINO}PHENOXY)-1-HYDROXYETHYL]PHENYL}THIOPHENE-2-CARBOXIMIDAMIDE'>RFQ</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d3i\|4d3i]], [[4d3j\|4d3j]], [[4d3k\|4d3k]], [[4d3m\|4d3m]], [[4d3n\|4d3n]], [[4d3o\|4d3o]], [[4d3t\|4d3t]], [[4d3u\|4d3u]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d3i\|4d3i]], [[4d3j\|4d3j]], [[4d3k\|4d3k]], [[4d3m\|4d3m]], [[4d3n\|4d3n]], [[4d3o\|4d3o]], [[4d3t\|4d3t]], [[4d3u\|4d3u]]</td></tr>
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 4d3v" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4d3v" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bacsu]]
	[[Category: Holden, J K]]		[[Category: Holden, J K]]
	[[Category: Poulos, T L]]		[[Category: Poulos, T L]]
	[[Category: Inhibitor]]		[[Category: Inhibitor]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 11:09, 11 August 2016

OCA — Thu, 11 Aug 2016 11:09:26 GMT

←Older revision		Revision as of 11:09, 11 August 2016
Line 1:		Line 1:
		+
	==Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with (S)-N-(3-(1-Hydroxy-2-(3-(thiophene-2-carboximidamido)phenoxy) ethyl)phenyl)thiophene-2-carboximidamide==		==Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with (S)-N-(3-(1-Hydroxy-2-(3-(thiophene-2-carboximidamido)phenoxy) ethyl)phenyl)thiophene-2-carboximidamide==
	<StructureSection load='4d3v' size='340' side='right' caption='[[4d3v]], [[Resolution\|resolution]] 1.88Å' scene=''>		<StructureSection load='4d3v' size='340' side='right' caption='[[4d3v]], [[Resolution\|resolution]] 1.88Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d3i\|4d3i]], [[4d3j\|4d3j]], [[4d3k\|4d3k]], [[4d3m\|4d3m]], [[4d3n\|4d3n]], [[4d3o\|4d3o]], [[4d3t\|4d3t]], [[4d3u\|4d3u]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d3i\|4d3i]], [[4d3j\|4d3j]], [[4d3k\|4d3k]], [[4d3m\|4d3m]], [[4d3n\|4d3n]], [[4d3o\|4d3o]], [[4d3t\|4d3t]], [[4d3u\|4d3u]]</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=4d3v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d3v OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4d3v RCSB], [http://www.ebi.ac.uk/pdbsum/4d3v 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=4d3v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d3v OCA], [http://pdbe.org/4d3v PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4d3v RCSB], [http://www.ebi.ac.uk/pdbsum/4d3v PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4d3v 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 4d3v" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 13:29, 14 January 2015

OCA — Wed, 14 Jan 2015 13:29:05 GMT

←Older revision		Revision as of 13:29, 14 January 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with (S)-N-(3-(1-Hydroxy-2-(3-(thiophene-2-carboximidamido)phenoxy) ethyl)phenyl)thiophene-2-carboximidamide==
		+	<StructureSection load='4d3v' size='340' side='right' caption='[[4d3v]], [[Resolution\|resolution]] 1.88Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4d3v]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4D3V OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4D3V FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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=POL:N-PROPANOL'>POL</scene>, <scene name='pdbligand=RFQ:N-{3-[(1S)-2-(3-{(Z)-[AMINO(THIOPHEN-2-YL)METHYLIDENE]AMINO}PHENOXY)-1-HYDROXYETHYL]PHENYL}THIOPHENE-2-CARBOXIMIDAMIDE'>RFQ</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d3i\|4d3i]], [[4d3j\|4d3j]], [[4d3k\|4d3k]], [[4d3m\|4d3m]], [[4d3n\|4d3n]], [[4d3o\|4d3o]], [[4d3t\|4d3t]], [[4d3u\|4d3u]]</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=4d3v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4d3v OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4d3v RCSB], [http://www.ebi.ac.uk/pdbsum/4d3v 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 4d3v 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 I218V in complex with (S)-N-(3-(1-Hydroxy-2-(3-(thiophene-2-carboximidamido)phenoxy) ethyl)phenyl)thiophene-2-carboximidamide~~	+	== References ==
-	~~[[Category: Unreleased Structures]]~~	+	<references/>
-	[[Category: Holden, J.K]]	+	__TOC__
-	[[Category: Poulos, T.L]]	+	</StructureSection>
		+	[[Category: Holden, J K]]
		+	[[Category: Poulos, T L]]
		+	[[Category: Inhibitor]]
		+	[[Category: Oxidoreductase]]

OCA at 13:44, 24 December 2014

OCA — Wed, 24 Dec 2014 13:44:24 GMT

←Older revision		Revision as of 13:44, 24 December 2014
Line 6:		Line 6:

	Description: Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with (S)-N-(3-(1-Hydroxy-2-(3-(thiophene-2-carboximidamido)phenoxy) ethyl)phenyl)thiophene-2-carboximidamide		Description: Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with (S)-N-(3-(1-Hydroxy-2-(3-(thiophene-2-carboximidamido)phenoxy) ethyl)phenyl)thiophene-2-carboximidamide
		+	[[Category: Unreleased Structures]]
		+	[[Category: Holden, J.K]]
		+	[[Category: Poulos, T.L]]

OCA at 07:19, 5 November 2014

OCA — Wed, 05 Nov 2014 07:19:28 GMT

←Older revision		Revision as of 07:19, 5 November 2014
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4d3v is ON HOLD until ~~sometime in the future~~	+	The entry 4d3v 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 I218V in complex with (S)-N-(3-(1-Hydroxy-2-(3-(thiophene-2-carboximidamido)phenoxy) ethyl)phenyl)thiophene-2-carboximidamide		Description: Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with (S)-N-(3-(1-Hydroxy-2-(3-(thiophene-2-carboximidamido)phenoxy) ethyl)phenyl)thiophene-2-carboximidamide

OCA: Protected "4d3v" [edit=sysop:move=sysop]

OCA — Wed, 29 Oct 2014 09:46:57 GMT

Protected "4d3v" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:46, 29 October 2014

OCA: New page: '''Unreleased structure''' The entry 4d3v is ON HOLD until sometime in the future Authors: Holden, J.K., Poulos, T.L. Description: Structure of Bacillus subtilis Nitric Oxide Synthase ...

OCA — Wed, 29 Oct 2014 09:46:56 GMT

New page: '''Unreleased structure''' The entry 4d3v is ON HOLD until sometime in the future Authors: Holden, J.K., Poulos, T.L. Description: Structure of Bacillus subtilis Nitric Oxide Synthase ...

New page

'''Unreleased structure'''

The entry 4d3v is ON HOLD until sometime in the future

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

Description: Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with (S)-N-(3-(1-Hydroxy-2-(3-(thiophene-2-carboximidamido)phenoxy) ethyl)phenyl)thiophene-2-carboximidamide