2y37: Difference between revisions
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New page: '''Unreleased structure''' The entry 2y37 is ON HOLD Authors: Cheshire, D.R., Andrews, G., Beaton, H.G., Birkinshaw, T., Boughton-Smith, N., Connolly, S., Cook, T.R., Cooper, A., Cooper... |
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The | ==The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)== | ||
<StructureSection load='2y37' size='340' side='right'caption='[[2y37]], [[Resolution|resolution]] 2.60Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[2y37]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Y37 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2Y37 FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.6Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A54:2-[(1R)-3-AMINO-1-PHENYL-PROPOXY]-4-CHLORO-BENZONITRILE'>A54</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=SO4:SULFATE+ION'>SO4</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=2y37 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2y37 OCA], [https://pdbe.org/2y37 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2y37 RCSB], [https://www.ebi.ac.uk/pdbsum/2y37 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2y37 ProSAT]</span></td></tr> | |||
</table> | |||
== Function == | |||
[https://www.uniprot.org/uniprot/NOS2_MOUSE NOS2_MOUSE] Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In macrophages, NO mediates tumoricidal and bactericidal actions. Also has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such COX2.<ref>PMID:16373578</ref> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
By careful analysis of experimental X-ray ligand crystallographic protein data across several inhibitor series we have discovered a novel, potent and selective series of iNOS inhibitors exemplified by compound 8. | |||
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS).,Cheshire DR, Berg A, Andersson GM, Andrews G, Beaton HG, Birkinshaw TN, Boughton-Smith N, Connolly S, Cook TR, Cooper A, Cooper SL, Cox D, Dixon J, Gensmantel N, Hamley PJ, Harrison R, Hartopp P, Kack H, Leeson PD, Luker T, Mete A, Millichip I, Nicholls DJ, Pimm AD, St-Gallay SA, Wallace AV Bioorg Med Chem Lett. 2011 Apr 15;21(8):2468-71. Epub 2011 Feb 18. PMID:21398123<ref>PMID:21398123</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
<div class="pdbe-citations 2y37" style="background-color:#fffaf0;"></div> | |||
==See Also== | |||
*[[Nitric Oxide Synthase 3D structures|Nitric Oxide Synthase 3D structures]] | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Mus musculus]] | |||
[[Category: Andrews G]] | |||
[[Category: Beaton HG]] | |||
[[Category: Birkinshaw TN]] | |||
[[Category: Boughton-Smith N]] | |||
[[Category: Cheshire DR]] | |||
[[Category: Connolly S]] | |||
[[Category: Cook TR]] | |||
[[Category: Cooper A]] | |||
[[Category: Cooper SL]] | |||
[[Category: Cox D]] | |||
[[Category: Dixon J]] | |||
[[Category: Gensmantel N]] | |||
[[Category: Hamley PJ]] | |||
[[Category: Harrison R]] | |||
[[Category: Hartopp P]] | |||
[[Category: Kack H]] | |||
[[Category: Luker T]] | |||
[[Category: Mete A]] | |||
[[Category: Millichip I]] | |||
[[Category: Nicholls DJ]] | |||
[[Category: Pimm AD]] | |||
[[Category: St-Gallay SA]] | |||
[[Category: Wallace AV]] | |||
Latest revision as of 11:07, 23 August 2023
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)
Structural highlights
FunctionNOS2_MOUSE Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In macrophages, NO mediates tumoricidal and bactericidal actions. Also has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such COX2.[1] Publication Abstract from PubMedBy careful analysis of experimental X-ray ligand crystallographic protein data across several inhibitor series we have discovered a novel, potent and selective series of iNOS inhibitors exemplified by compound 8. The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS).,Cheshire DR, Berg A, Andersson GM, Andrews G, Beaton HG, Birkinshaw TN, Boughton-Smith N, Connolly S, Cook TR, Cooper A, Cooper SL, Cox D, Dixon J, Gensmantel N, Hamley PJ, Harrison R, Hartopp P, Kack H, Leeson PD, Luker T, Mete A, Millichip I, Nicholls DJ, Pimm AD, St-Gallay SA, Wallace AV Bioorg Med Chem Lett. 2011 Apr 15;21(8):2468-71. Epub 2011 Feb 18. PMID:21398123[2] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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