2bhj

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[[Image:2bhj.png|left|200px]]
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==MURINE INO SYNTHASE WITH COUMARIN INHIBITOR==
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<StructureSection load='2bhj' size='340' side='right' caption='[[2bhj]], [[Resolution|resolution]] 3.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2bhj]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BHJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2BHJ FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FC1:THIOCOUMARIN'>FC1</scene>, <scene name='pdbligand=HBI:7,8-DIHYDROBIOPTERIN'>HBI</scene>, <scene name='pdbligand=HEM:PROTOPORPHYRIN+IX+CONTAINING+FE'>HEM</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1dd7|1dd7]], [[1df1|1df1]], [[1dwv|1dwv]], [[1dww|1dww]], [[1dwx|1dwx]], [[1jwj|1jwj]], [[1jwk|1jwk]], [[1m8d|1m8d]], [[1m8e|1m8e]], [[1m8h|1m8h]], [[1m8i|1m8i]], [[1m9t|1m9t]], [[1n2n|1n2n]], [[1noc|1noc]], [[1nod|1nod]], [[1nos|1nos]], [[1qom|1qom]], [[1qw4|1qw4]], [[1qw5|1qw5]], [[1r35|1r35]], [[1vaf|1vaf]], [[2nod|2nod]], [[2nos|2nos]], [[3nod|3nod]]</td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitric-oxide_synthase Nitric-oxide synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.14.13.39 1.14.13.39] </span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bhj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bhj OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2bhj RCSB], [http://www.ebi.ac.uk/pdbsum/2bhj PDBsum]</span></td></tr>
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<table>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bh/2bhj_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Inducible nitric oxide synthase (iNOS) has been implicated in various central and peripheral pathophysiological diseases. Our high throughput screening initially identified a weak inhibitor of iNOS, thiocoumarin 13. From this lead, a number of potent derivatives were prepared that demonstrate favorable potency, selectivity and kinetics. Compound 30 has an IC50 of 60 nM for mouse iNOS and 185-fold and 9-fold selectivity for bovine eNOS and rat nNOS, respectively. In cellular assays for iNOS, this compound has micromolar potency. Furthermore, two compounds (16 and 30) demonstrate a reasonable pharmacokinetic profile in rodents. The synthesis, SAR, and biological activity of this novel class of compounds is described.
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{{STRUCTURE_2bhj| PDB=2bhj | SCENE= }}
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Design, synthesis and characterization of a novel class of coumarin-based inhibitors of inducible nitric oxide synthase.,Jackson SA, Sahni S, Lee L, Luo Y, Nieduzak TR, Liang G, Chiang Y, Collar N, Fink D, He W, Laoui A, Merrill J, Boffey R, Crackett P, Rees B, Wong M, Guilloteau JP, Mathieu M, Rebello SS Bioorg Med Chem. 2005 Apr 15;13(8):2723-39. PMID:15781384<ref>PMID:15781384</ref>
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===MURINE INO SYNTHASE WITH COUMARIN INHIBITOR===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_15781384}}
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==About this Structure==
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[[2bhj]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BHJ OCA].
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==See Also==
==See Also==
*[[Nitric Oxide Synthase|Nitric Oxide Synthase]]
*[[Nitric Oxide Synthase|Nitric Oxide Synthase]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:015781384</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Mus musculus]]
[[Category: Mus musculus]]
[[Category: Nitric-oxide synthase]]
[[Category: Nitric-oxide synthase]]

Revision as of 04:01, 29 September 2014

MURINE INO SYNTHASE WITH COUMARIN INHIBITOR

2bhj, resolution 3.20Å

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