4v3x - Revision history

OCA at 11:26, 9 May 2024

2024-05-09T11:26:41Z

←Older revision		Revision as of 11:26, 9 May 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4v3x]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4V3X OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4V3X FirstGlance]. <br>		<table><tr><td colspan='2'>[[4v3x]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4V3X OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4V3X FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4E8:3-(3-FLUOROPHENYL)-N-{2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]ETHYL}PROPAN-1-AMINE'>4E8</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 1.99Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4E8:3-(3-FLUOROPHENYL)-N-{2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]ETHYL}PROPAN-1-AMINE'>4E8</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=4v3x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4v3x OCA], [https://pdbe.org/4v3x PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4v3x RCSB], [https://www.ebi.ac.uk/pdbsum/4v3x PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4v3x 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=4v3x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4v3x OCA], [https://pdbe.org/4v3x PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4v3x RCSB], [https://www.ebi.ac.uk/pdbsum/4v3x PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4v3x ProSAT]</span></td></tr>
	</table>		</table>

OCA at 08:02, 29 March 2023

2023-03-29T08:02:19Z

←Older revision		Revision as of 08:02, 29 March 2023
Line 3:		Line 3:
	<StructureSection load='4v3x' size='340' side='right'caption='[[4v3x]], [[Resolution\|resolution]] 1.99Å' scene=''>		<StructureSection load='4v3x' size='340' side='right'caption='[[4v3x]], [[Resolution\|resolution]] 1.99Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4v3x]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Buffalo_rat Buffalo rat~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4V3X OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4V3X FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4v3x]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4V3X OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4V3X FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4E8:3-(3-FLUOROPHENYL)-N-{2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]ETHYL}PROPAN-1-AMINE'>4E8</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4E8:3-(3-FLUOROPHENYL)-N-{2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]ETHYL}PROPAN-1-AMINE'>4E8</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d2y\|4d2y]], [[4d2z\|4d2z]], [[4d30\|4d30]], [[4d31\|4d31]], [[4d32\|4d32]], [[4d33\|4d33]], [[4d34\|4d34]], [[4d35\|4d35]], [[4d36\|4d36]], [[4d37\|4d37]], [[4d38\|4d38]], [[4d39\|4d39]], [[4d3a\|4d3a]], [[4d3b\|4d3b]], [[4v3u\|4v3u]], [[4v3v\|4v3v]], [[4v3w\|4v3w]], [[4v3y\|4v3y]], [[4v3z\|4v3z]]</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=4v3x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4v3x OCA], [https://pdbe.org/4v3x PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4v3x RCSB], [https://www.ebi.ac.uk/pdbsum/4v3x PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4v3x 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_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </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=4v3x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4v3x OCA], [~~http~~://pdbe.org/4v3x PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4v3x RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4v3x PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4v3x ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/NOS1_RAT NOS1_RAT]] Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In the brain and peripheral nervous system, NO displays many properties of a neurotransmitter. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum. Probably has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such SRR. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum.	+	[https://www.uniprot.org/uniprot/NOS1_RAT NOS1_RAT] Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In the brain and peripheral nervous system, NO displays many properties of a neurotransmitter. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum. Probably has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such SRR. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 22:		Line 20:

	==See Also==		==See Also==
-	*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]	+	*[[Nitric Oxide Synthase 3D structures\|Nitric Oxide Synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Buffalo rat]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Li, H~~]]	+	[[Category: Rattus norvegicus]]
-	[[Category: ~~Poulos, T L~~]]	+	[[Category: Li H]]
-	[[Category: ~~Inhibitor complex]]~~	+	[[Category: Poulos TL]]
-	~~[[Category: Nitric oxide synthase]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 08:32, 23 May 2019

2019-05-23T08:32:03Z

←Older revision		Revision as of 08:32, 23 May 2019
Line 1:		Line 1:

	==Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine==		==Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine==
-	<StructureSection load='4v3x' size='340' side='right' caption='[[4v3x]], [[Resolution\|resolution]] 1.99Å' scene=''>	+	<StructureSection load='4v3x' size='340' side='right'caption='[[4v3x]], [[Resolution\|resolution]] 1.99Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4v3x]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4V3X OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4V3X FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4v3x]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Buffalo_rat Buffalo rat]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4V3X OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4V3X FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4E8:3-(3-FLUOROPHENYL)-N-{2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]ETHYL}PROPAN-1-AMINE'>4E8</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4E8:3-(3-FLUOROPHENYL)-N-{2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]ETHYL}PROPAN-1-AMINE'>4E8</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d2y\|4d2y]], [[4d2z\|4d2z]], [[4d30\|4d30]], [[4d31\|4d31]], [[4d32\|4d32]], [[4d33\|4d33]], [[4d34\|4d34]], [[4d35\|4d35]], [[4d36\|4d36]], [[4d37\|4d37]], [[4d38\|4d38]], [[4d39\|4d39]], [[4d3a\|4d3a]], [[4d3b\|4d3b]], [[4v3u\|4v3u]], [[4v3v\|4v3v]], [[4v3w\|4v3w]], [[4v3y\|4v3y]], [[4v3z\|4v3z]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d2y\|4d2y]], [[4d2z\|4d2z]], [[4d30\|4d30]], [[4d31\|4d31]], [[4d32\|4d32]], [[4d33\|4d33]], [[4d34\|4d34]], [[4d35\|4d35]], [[4d36\|4d36]], [[4d37\|4d37]], [[4d38\|4d38]], [[4d39\|4d39]], [[4d3a\|4d3a]], [[4d3b\|4d3b]], [[4v3u\|4v3u]], [[4v3v\|4v3v]], [[4v3w\|4v3w]], [[4v3y\|4v3y]], [[4v3z\|4v3z]]</td></tr>
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 4v3x" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4v3x" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Buffalo rat]]
		+	[[Category: Large Structures]]
	[[Category: Li, H]]		[[Category: Li, H]]
	[[Category: Poulos, T L]]		[[Category: Poulos, T L]]

OCA at 01:24, 19 January 2017

2017-01-19T01:24:25Z

←Older revision		Revision as of 01:24, 19 January 2017
Line 1:		Line 1:
		+
	==Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine==		==Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine==
	<StructureSection load='4v3x' size='340' side='right' caption='[[4v3x]], [[Resolution\|resolution]] 1.99Å' scene=''>		<StructureSection load='4v3x' size='340' side='right' caption='[[4v3x]], [[Resolution\|resolution]] 1.99Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d2y\|4d2y]], [[4d2z\|4d2z]], [[4d30\|4d30]], [[4d31\|4d31]], [[4d32\|4d32]], [[4d33\|4d33]], [[4d34\|4d34]], [[4d35\|4d35]], [[4d36\|4d36]], [[4d37\|4d37]], [[4d38\|4d38]], [[4d39\|4d39]], [[4d3a\|4d3a]], [[4d3b\|4d3b]], [[4v3u\|4v3u]], [[4v3v\|4v3v]], [[4v3w\|4v3w]], [[4v3y\|4v3y]], [[4v3z\|4v3z]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d2y\|4d2y]], [[4d2z\|4d2z]], [[4d30\|4d30]], [[4d31\|4d31]], [[4d32\|4d32]], [[4d33\|4d33]], [[4d34\|4d34]], [[4d35\|4d35]], [[4d36\|4d36]], [[4d37\|4d37]], [[4d38\|4d38]], [[4d39\|4d39]], [[4d3a\|4d3a]], [[4d3b\|4d3b]], [[4v3u\|4v3u]], [[4v3v\|4v3v]], [[4v3w\|4v3w]], [[4v3y\|4v3y]], [[4v3z\|4v3z]]</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_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </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_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </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=4v3x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4v3x OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4v3x RCSB], [http://www.ebi.ac.uk/pdbsum/4v3x 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=4v3x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4v3x OCA], [http://pdbe.org/4v3x PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4v3x RCSB], [http://www.ebi.ac.uk/pdbsum/4v3x PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4v3x 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 4v3x" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 11:00, 24 December 2014

2014-12-24T11:00:00Z

←Older revision		Revision as of 11:00, 24 December 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine==
		+	<StructureSection load='4v3x' size='340' side='right' caption='[[4v3x]], [[Resolution\|resolution]] 1.99Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4v3x]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4V3X OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4V3X FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4E8:3-(3-FLUOROPHENYL)-N-{2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]ETHYL}PROPAN-1-AMINE'>4E8</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=H4B:5,6,7,8-TETRAHYDROBIOPTERIN'>H4B</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4d2y\|4d2y]], [[4d2z\|4d2z]], [[4d30\|4d30]], [[4d31\|4d31]], [[4d32\|4d32]], [[4d33\|4d33]], [[4d34\|4d34]], [[4d35\|4d35]], [[4d36\|4d36]], [[4d37\|4d37]], [[4d38\|4d38]], [[4d39\|4d39]], [[4d3a\|4d3a]], [[4d3b\|4d3b]], [[4v3u\|4v3u]], [[4v3v\|4v3v]], [[4v3w\|4v3w]], [[4v3y\|4v3y]], [[4v3z\|4v3z]]</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_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </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=4v3x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4v3x OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4v3x RCSB], [http://www.ebi.ac.uk/pdbsum/4v3x PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/NOS1_RAT NOS1_RAT]] Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In the brain and peripheral nervous system, NO displays many properties of a neurotransmitter. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum. Probably has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such SRR. Inhibitory transmitter for non-adrenergic and non-cholinergic nerves in the colorectum.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Selective inhibition of neuronal nitric oxide synthase (nNOS) is an important therapeutic approach to target neurodegenerative disorders. However, the majority of the nNOS inhibitors developed are arginine mimetics and, therefore, suffer from poor bioavailability. We designed a novel strategy to combine a more pharmacokinetically favorable 2-imidazolylpyrimidine head with promising structural components from previous inhibitors. In conjunction with extensive structure-activity studies, several highly potent and selective inhibitors of nNOS were discovered. X-ray crystallographic analysis reveals that these type II inhibitors utilize the same hydrophobic pocket to gain strong inhibitory potency (13), as well as high isoform selectivity. Interestingly, select compounds from this series (9) showed good permeability and low efflux in a Caco-2 assay, suggesting potential oral bioavailability, and exhibited minimal off-target binding to 50 central nervous system receptors. Furthermore, even with heme-coordinating groups in the molecule, modifying other pharmacophoric fragments minimized undesirable inhibition of cytochrome P450s from human liver microsomes.

-	~~The entry 4v3x is ON HOLD until Paper Publication~~	+	Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-permeable Inhibitors of Neuronal Nitric Oxide Synthase.,Mukherjee P, Li H, Sevrioukova IF, Chreifi G, Martasek P, Roman LJ, Poulos TL, Silverman RB J Med Chem. 2014 Dec 9. PMID:25489882<ref>PMID:25489882</ref>

-	~~Authors~~: Li, H., Poulos, T.L.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Structure of rat neuronal nitric~~ oxide synthase ~~heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3-fluorophenyl)propan-1-amine~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Li, H]]
		+	[[Category: Poulos, T L]]
		+	[[Category: Inhibitor complex]]
		+	[[Category: Nitric oxide synthase]]
		+	[[Category: Oxidoreductase]]

OCA at 07:54, 5 November 2014

2014-11-05T07:54:20Z

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	Authors: Li, H., Poulos, T.L.		Authors: Li, H., Poulos, T.L.

	Description: Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3-fluorophenyl)propan-1-amine		Description: Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3-fluorophenyl)propan-1-amine

OCA: Protected "4v3x" [edit=sysop:move=sysop]

2014-10-29T10:22:36Z

Protected "4v3x" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:22, 29 October 2014

OCA: New page: '''Unreleased structure''' The entry 4v3x is ON HOLD Authors: Li, H., Poulos, T.L. Description: Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-i...

2014-10-29T10:22:35Z

New page: '''Unreleased structure''' The entry 4v3x is ON HOLD Authors: Li, H., Poulos, T.L. Description: Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-i...

New page

'''Unreleased structure'''

The entry 4v3x is ON HOLD

Authors: Li, H., Poulos, T.L.

Description: Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3-fluorophenyl)propan-1-amine