2y37: Difference between revisions

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

2y37 is a 2 chain structure with sequence from Mus musculus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 2.6Å
Ligands:	, , , ,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

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.^[1]

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^[2]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Kim SF, Huri DA, Snyder SH. Inducible nitric oxide synthase binds, S-nitrosylates, and activates cyclooxygenase-2. Science. 2005 Dec 23;310(5756):1966-70. PMID:16373578 doi:http://dx.doi.org/10.1126/science.1119407
↑ 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. The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS). Bioorg Med Chem Lett. 2011 Apr 15;21(8):2468-71. Epub 2011 Feb 18. PMID:21398123 doi:10.1016/j.bmcl.2011.02.061

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

[1] Kim SF, Huri DA, Snyder SH. Inducible nitric oxide synthase binds, S-nitrosylates, and activates cyclooxygenase-2. Science. 2005 Dec 23;310(5756):1966-70. PMID:16373578 doi:http://dx.doi.org/10.1126/science.1119407

[2] 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. The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS). Bioorg Med Chem Lett. 2011 Apr 15;21(8):2468-71. Epub 2011 Feb 18. PMID:21398123 doi:10.1016/j.bmcl.2011.02.061

[1]

[2]

@@ Line 1: / Line 1: @@
-[[Image:2y37.jpg|left|200px]]
-<!--
+==The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)==
-The line below this paragraph, containing "STRUCTURE_2y37", creates the "Structure Box" on the page.
+<StructureSection load='2y37' size='340' side='right'caption='[[2y37]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<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>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.6&#8491;</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>
-{{STRUCTURE_2y37|  PDB=2y37  |  SCENE=  }}
+<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)===
+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&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 2y37" style="background-color:#fffaf0;"></div>
-<!--
+==See Also==
-The line below this paragraph, {{ABSTRACT_PUBMED_21398123}}, adds the Publication Abstract to the page
+*[[Nitric Oxide Synthase 3D structures|Nitric Oxide Synthase 3D structures]]
-(as it appears on PubMed at http://www.pubmed.gov), where 21398123 is the PubMed ID number.
+== References ==
--->
+<references/>
-{{ABSTRACT_PUBMED_21398123}}
+__TOC__
+</StructureSection>
-==About this Structure==
+[[Category: Large Structures]]
-[[2y37]] is a 2 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=2Y37 OCA].
-==Reference==
-<ref group="xtra">PMID:21398123</ref><references group="xtra"/>
 [[Category: Mus musculus]]
-[[Category: Nitric-oxide synthase]]
+[[Category: Andrews G]]
-[[Category: Andrews, G.]]
+[[Category: Beaton HG]]
-[[Category: Beaton, H G.]]
+[[Category: Birkinshaw TN]]
-[[Category: Birkinshaw, T N.]]
+[[Category: Boughton-Smith N]]
-[[Category: Boughton-Smith, N.]]
+[[Category: Cheshire DR]]
-[[Category: Cheshire, D R.]]
+[[Category: Connolly S]]
-[[Category: Connolly, S.]]
+[[Category: Cook TR]]
-[[Category: Cook, T R.]]
+[[Category: Cooper A]]
-[[Category: Cooper, A.]]
+[[Category: Cooper SL]]
-[[Category: Cooper, S L.]]
+[[Category: Cox D]]
-[[Category: Cox, D.]]
+[[Category: Dixon J]]
-[[Category: Dixon, J.]]
+[[Category: Gensmantel N]]
-[[Category: Gensmantel, N.]]
+[[Category: Hamley PJ]]
-[[Category: Hamley, P J.]]
+[[Category: Harrison R]]
-[[Category: Harrison, R.]]
+[[Category: Hartopp P]]
-[[Category: Hartopp, P.]]
+[[Category: Kack H]]
-[[Category: Kack, H.]]
+[[Category: Luker T]]
-[[Category: Luker, T.]]
+[[Category: Mete A]]
-[[Category: Mete, A.]]
+[[Category: Millichip I]]
-[[Category: Millichip, I.]]
+[[Category: Nicholls DJ]]
-[[Category: Nicholls, D J.]]
+[[Category: Pimm AD]]
-[[Category: Pimm, A D.]]
+[[Category: St-Gallay SA]]
-[[Category: St-Gallay, S A.]]
+[[Category: Wallace AV]]
-[[Category: Wallace, A V.]]

2y37: Difference between revisions

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

Function

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

Navigation menu

2y37: Difference between revisions

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

Function

Publication Abstract from PubMed

See Also

References

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

Navigation menu

Search