3rqk - Revision history

OCA at 12:33, 14 March 2024

OCA — Thu, 14 Mar 2024 12:33:56 GMT

←Older revision		Revision as of 12:33, 14 March 2024
Line 3:		Line 3:
	<StructureSection load='3rqk' size='340' side='right'caption='[[3rqk]], [[Resolution\|resolution]] 2.21Å' scene=''>		<StructureSection load='3rqk' size='340' side='right'caption='[[3rqk]], [[Resolution\|resolution]] 2.21Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3rqk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Buffalo_rat Buffalo rat~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RQK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RQK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3rqk]] 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=3RQK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RQK FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=X2C:4-METHYL-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-METHYLPHENYL)CYCLOPROPYL]AMINO}ETHOXY)PYRROLIDIN-3-YL]METHYL}PYRIDIN-2-AMINE'>X2C</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]] 2.21Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3rqj\|3rqj]], [[3rqp\|3rqp]], [[3rql\|3rql]], [[3rqm\|3rqm]], [[3rqn\|3rqn]], [[3rqo\|3rqo]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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=X2C:4-METHYL-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-METHYLPHENYL)CYCLOPROPYL]AMINO}ETHOXY)PYRROLIDIN-3-YL]METHYL}PYRIDIN-2-AMINE'>X2C</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Nos1, Bnos ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Buffalo rat])</td></tr>	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [https://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'>[https://proteopedia.org/fgij/fg.htm?mol=3rqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rqk OCA], [https://pdbe.org/3rqk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rqk RCSB], [https://www.ebi.ac.uk/pdbsum/3rqk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rqk 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=3rqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rqk OCA], [https://pdbe.org/3rqk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rqk RCSB], [https://www.ebi.ac.uk/pdbsum/3rqk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rqk ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[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.	+	[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;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	Inhibitors of neuronal nitric oxide synthase have been proposed as therapeutics for the treatment of different types of neurological disorders. On the basis of a cis-3,4-pyrrolidine scaffold, a series of trans-cyclopropyl- and methyl-containing nNOS inhibitors have been synthesized. The insertion of a rigid electron-withdrawing cyclopropyl ring decreases the basicity of the adjacent amino group, which resulted in decreased inhibitory activity of these inhibitors compared to the parent compound. Nonetheless, three of them exhibited double-digit nanomolar inhibition with high nNOS selectivity on the basis of in vitro enzyme assays. Crystal structures of nNOS and eNOS with these inhibitors bound provide a basis for detailed structure-activity relationship (SAR) studies. The conclusions from these studies will be used as a guide in the future development of selective NOS inhibitors.	+
-		+
-	Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase.,Li H, Xue F, Kraus JM 2nd, Ji H, Labby KJ, Mataka J, Delker SL, Martasek P, Roman LJ, Poulos TL, Silverman RB Bioorg Med Chem. 2013 Mar 1;21(5):1333-43. doi: 10.1016/j.bmc.2012.12.019. Epub, 2012 Dec 22. PMID:23352768<ref>PMID:23352768</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3rqk" style="background-color:#fffaf0;"></div>~~	+

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

OCA at 10:21, 22 June 2022

OCA — Wed, 22 Jun 2022 10:21:53 GMT

←Older revision		Revision as of 10:21, 22 June 2022
Line 1:		Line 1:

	==Structure of the neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine and its isomer==		==Structure of the neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine and its isomer==
-	<StructureSection load='3rqk' size='340' side='right' caption='[[3rqk]], [[Resolution\|resolution]] 2.21Å' scene=''>	+	<StructureSection load='3rqk' size='340' side='right'caption='[[3rqk]], [[Resolution\|resolution]] 2.21Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3rqk]] 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=3RQK OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3RQK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3rqk]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Buffalo_rat Buffalo rat]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RQK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RQK FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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=X2C:4-METHYL-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-METHYLPHENYL)CYCLOPROPYL]AMINO}ETHOXY)PYRROLIDIN-3-YL]METHYL}PYRIDIN-2-AMINE'>X2C</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=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=X2C:4-METHYL-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-METHYLPHENYL)CYCLOPROPYL]AMINO}ETHOXY)PYRROLIDIN-3-YL]METHYL}PYRIDIN-2-AMINE'>X2C</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">[[3rqj\|3rqj]], [[3rqp\|3rqp]], [[3rql\|3rql]], [[3rqm\|3rqm]], [[3rqn\|3rqn]], [[3rqo\|3rqo]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3rqj\|3rqj]], [[3rqp\|3rqp]], [[3rql\|3rql]], [[3rqm\|3rqm]], [[3rqn\|3rqn]], [[3rqo\|3rqo]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Nos1, Bnos ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Buffalo rat])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Nos1, Bnos ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Buffalo rat])</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'>[https://en.wikipedia.org/wiki/Nitric-oxide_synthase_(NADPH_dependent) Nitric-oxide synthase (NADPH dependent)], with EC number [https://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=3rqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rqk OCA], [~~http~~://pdbe.org/3rqk PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3rqk RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3rqk PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3rqk 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=3rqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rqk OCA], [https://pdbe.org/3rqk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rqk RCSB], [https://www.ebi.ac.uk/pdbsum/3rqk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rqk 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 21:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 3rqk" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3rqk" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Nitric Oxide Synthase 3D structures\|Nitric Oxide Synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 26:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: Buffalo rat]]		[[Category: Buffalo rat]]
		+	[[Category: Large Structures]]
	[[Category: Delker, S L]]		[[Category: Delker, S L]]
	[[Category: Li, H]]		[[Category: Li, H]]

OCA at 09:29, 8 November 2017

OCA — Wed, 08 Nov 2017 09:29:02 GMT

←Older revision		Revision as of 09:29, 8 November 2017
Line 21:		Line 21:
	</div>		</div>
	<div class="pdbe-citations 3rqk" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 3rqk" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:10, 5 August 2016

OCA — Fri, 05 Aug 2016 09:10:19 GMT

←Older revision		Revision as of 09:10, 5 August 2016
Line 1:		Line 1:
		+
	==Structure of the neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine and its isomer==		==Structure of the neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine and its isomer==
	<StructureSection load='3rqk' size='340' side='right' caption='[[3rqk]], [[Resolution\|resolution]] 2.21Å' scene=''>		<StructureSection load='3rqk' size='340' side='right' caption='[[3rqk]], [[Resolution\|resolution]] 2.21Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3rqk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Rattus_norvegicus Rattus norvegicus~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RQK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RQK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3rqk]] 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=3RQK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RQK FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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=X2C:4-METHYL-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-METHYLPHENYL)CYCLOPROPYL]AMINO}ETHOXY)PYRROLIDIN-3-YL]METHYL}PYRIDIN-2-AMINE'>X2C</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=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=X2C:4-METHYL-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-METHYLPHENYL)CYCLOPROPYL]AMINO}ETHOXY)PYRROLIDIN-3-YL]METHYL}PYRIDIN-2-AMINE'>X2C</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">[[3rqj\|3rqj]], [[3rqp\|3rqp]], [[3rql\|3rql]], [[3rqm\|3rqm]], [[3rqn\|3rqn]], [[3rqo\|3rqo]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3rqj\|3rqj]], [[3rqp\|3rqp]], [[3rql\|3rql]], [[3rqm\|3rqm]], [[3rqn\|3rqn]], [[3rqo\|3rqo]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Nos1, Bnos ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 ~~Rattus norvegicus~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Nos1, Bnos ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Buffalo rat])</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=3rqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rqk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rqk RCSB], [http://www.ebi.ac.uk/pdbsum/3rqk 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=3rqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rqk OCA], [http://pdbe.org/3rqk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3rqk RCSB], [http://www.ebi.ac.uk/pdbsum/3rqk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3rqk ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	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 3rqk" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 26:		Line 28:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Rattus norvegicus~~]]	+	[[Category: Buffalo rat]]
	[[Category: Delker, S L]]		[[Category: Delker, S L]]
	[[Category: Li, H]]		[[Category: Li, H]]

OCA at 01:03, 25 December 2014

OCA — Thu, 25 Dec 2014 01:03:40 GMT

←Older revision		Revision as of 01:03, 25 December 2014
Line 9:		Line 9:
	<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=3rqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rqk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rqk RCSB], [http://www.ebi.ac.uk/pdbsum/3rqk 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=3rqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rqk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rqk RCSB], [http://www.ebi.ac.uk/pdbsum/3rqk PDBsum]</span></td></tr>
	</table>		</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;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 11:10, 19 December 2014

OCA — Fri, 19 Dec 2014 11:10:29 GMT

←Older revision		Revision as of 11:10, 19 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_3rqk\| PDB=3rqk \| SCENE= }}~~	+	==Structure of the neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine and its isomer==
-	===Structure of the neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine and its isomer===	+	<StructureSection load='3rqk' size='340' side='right' caption='[[3rqk]], [[Resolution\|resolution]] 2.21Å' scene=''>
-	{{~~ABSTRACT_PUBMED_23352768~~}}	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3rqk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RQK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RQK FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><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=X2C:4-METHYL-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-METHYLPHENYL)CYCLOPROPYL]AMINO}ETHOXY)PYRROLIDIN-3-YL]METHYL}PYRIDIN-2-AMINE'>X2C</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">[[3rqj\|3rqj]], [[3rqp\|3rqp]], [[3rql\|3rql]], [[3rqm\|3rqm]], [[3rqn\|3rqn]], [[3rqo\|3rqo]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Nos1, Bnos ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Rattus norvegicus])</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=3rqk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rqk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rqk RCSB], [http://www.ebi.ac.uk/pdbsum/3rqk PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Inhibitors of neuronal nitric oxide synthase have been proposed as therapeutics for the treatment of different types of neurological disorders. On the basis of a cis-3,4-pyrrolidine scaffold, a series of trans-cyclopropyl- and methyl-containing nNOS inhibitors have been synthesized. The insertion of a rigid electron-withdrawing cyclopropyl ring decreases the basicity of the adjacent amino group, which resulted in decreased inhibitory activity of these inhibitors compared to the parent compound. Nonetheless, three of them exhibited double-digit nanomolar inhibition with high nNOS selectivity on the basis of in vitro enzyme assays. Crystal structures of nNOS and eNOS with these inhibitors bound provide a basis for detailed structure-activity relationship (SAR) studies. The conclusions from these studies will be used as a guide in the future development of selective NOS inhibitors.

-	~~==Function==~~	+	Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase.,Li H, Xue F, Kraus JM 2nd, Ji H, Labby KJ, Mataka J, Delker SL, Martasek P, Roman LJ, Poulos TL, Silverman RB Bioorg Med Chem. 2013 Mar 1;21(5):1333-43. doi: 10.1016/j.bmc.2012.12.019. Epub, 2012 Dec 22. PMID:23352768<ref>PMID:23352768</ref>
-	~~[[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~~.	+

-	~~==About this Structure==~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[3rqk]] is~~ a ~~2 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Rattus_norvegicus Rattus norvegicus]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=3RQK OCA].~~	+	</div>

	==See Also==		==See Also==
	*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]		*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Rattus norvegicus]]		[[Category: Rattus norvegicus]]
-	[[Category: Delker, S L.]]	+	[[Category: Delker, S L]]
-	[[Category: Li, H.]]	+	[[Category: Li, H]]
-	[[Category: Poulos, T L.]]	+	[[Category: Poulos, T L]]
	[[Category: Enzyme-inhibitor complex]]		[[Category: Enzyme-inhibitor complex]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]
	[[Category: Oxidoreductase-inhibitor complex]]		[[Category: Oxidoreductase-inhibitor complex]]

OCA at 10:34, 24 April 2013

OCA — Wed, 24 Apr 2013 10:34:56 GMT

←Older revision		Revision as of 10:34, 24 April 2013
Line 1:		Line 1:
-	[[Image:3rqk.png\|left\|200px]]
-
	{{STRUCTURE_3rqk\| PDB=3rqk \| SCENE= }}		{{STRUCTURE_3rqk\| PDB=3rqk \| SCENE= }}
-
	===Structure of the neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine and its isomer===		===Structure of the neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine and its isomer===
		+	{{ABSTRACT_PUBMED_23352768}}

		+	==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.

	==About this Structure==		==About this Structure==
Line 11:		Line 11:
	==See Also==		==See Also==
	*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]		*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]
-	[[Category: Nitric-oxide synthase]]
	[[Category: Rattus norvegicus]]		[[Category: Rattus norvegicus]]
	[[Category: Delker, S L.]]		[[Category: Delker, S L.]]

OCA at 10:08, 5 December 2012

OCA — Wed, 05 Dec 2012 10:08:52 GMT

←Older revision		Revision as of 10:08, 5 December 2012
Line 3:		Line 3:
	{{STRUCTURE_3rqk\| PDB=3rqk \| SCENE= }}		{{STRUCTURE_3rqk\| PDB=3rqk \| SCENE= }}

-	===Structure of the neuronal nitric oxide synthase heme domain in complex with 4-~~Methyl~~-6-(((3R,4R)-4-(2-(~~(1S,2R/~~1R,2S)-2-m-~~tolylcyclopropylamino~~)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine===	+	===Structure of the neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine and its isomer===

OCA at 10:56, 20 October 2012

OCA — Sat, 20 Oct 2012 10:56:24 GMT

←Older revision		Revision as of 10:56, 20 October 2012
Line 7:		Line 7:

	==About this Structure==		==About this Structure==
-	[[3rqk]] is a 2 chain structure ~~of [[Nitric Oxide Synthase]]~~ with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RQK OCA].	+	[[3rqk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RQK OCA].

	==See Also==		==See Also==

OCA at 03:44, 26 July 2012

OCA — Thu, 26 Jul 2012 03:44:23 GMT

←Older revision		Revision as of 03:44, 26 July 2012
Line 1:		Line 1:
-	[[Image:3rqk.~~jpg~~\|left\|200px]]	+	[[Image:3rqk.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_3rqk", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_3rqk\| PDB=3rqk \| SCENE= }}		{{STRUCTURE_3rqk\| PDB=3rqk \| SCENE= }}

Line 13:		Line 7:

	==About this Structure==		==About this Structure==
-	[[3rqk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RQK OCA].	+	[[3rqk]] is a 2 chain structure of [[Nitric Oxide Synthase]] with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RQK OCA].
		+
		+	==See Also==
		+	*[[Nitric Oxide Synthase\|Nitric Oxide Synthase]]
	[[Category: Nitric-oxide synthase]]		[[Category: Nitric-oxide synthase]]
	[[Category: Rattus norvegicus]]		[[Category: Rattus norvegicus]]