4UX6

The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)

Summary for 4UX6

• Entry DOI: 10.2210/pdb4ux6/pdb
• Descriptor: NITRIC OXIDE SYNTHASE, INDUCIBLE, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ... (5 entities in total)
• Functional Keywords: drug design, oxidoreductase
• Biological source: MUS MUSCULUS (HOUSE MOUSE); More
• Total number of polymer chains: 2
• Total formula weight: 49005.43

Authors

Cheshire, D.R.,Andrews, G.,Beaton, H.G.,Birkinshaw, T.,Boughton-Smith, N.,Connolly, S.,Cook, T.R.,Cooper, A.,Cooper, S.L.,Cox, D.,Dixon, J.,Gensmantel, N.,Hamley, P.J.,Harrison, R.,Hartopp, P.,Kack, H.,Luker, T.,Mete, A.,Millichip, I.,Nicholls, D.J.,Pimm, A.D.,St-Gallay, S.A.,Wallace, A.V. (deposition date: 2014-08-19, release date: 2014-10-08, Last modification date: 2018-01-17)

Primary citation

Cheshire, D.R.,Aberg, A.,Andersson, G.M.K.,Andrews, G.,Beaton, H.G.,Birkinshaw, T.N.,Boughton-Smith, N.,Connolly, S.,Cook, T.R.,Cooper, A.,Cooper, S.L.,Cox, D.,Dixon, J.,Gensmantel, N.,Hamley, P.J.,Harrison, R.,Hartopp, P.,Kack, H.,Leeson, P.D.,Luker, T.,Mete, A.,Millichip, I.,Nicholls, D.J.,Pimm, A.D.,St-Gallay, S.A.,Wallace, A.V.
The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21:2468-, 2011

PubMed Abstract: 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.

PubMed: 21398123
DOI: 10.1016/J.BMCL.2011.02.061

Experimental method

X-RAY DIFFRACTION (3 Å)