4jsj | pdb_00004jsj

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((5-(((3-fluorophenethyl)amino)methyl)pyridin-3-yl)oxy)methyl)-4-methylpyridin-2-amine

spinqualitylabelsall models 4jsj, resolution 1.92Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4jsj is a 2 chain structure with sequence from Rattus norvegicus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: ACT, H4B, HEM, QJ7, ZN Related: 4jse, 4jsf, 4jsg, 4jsh, 4jsi, 4jsk, 4jsl, 4jsm Gene: Nos1, Bnos (Rattus norvegicus) Activity: Nitric-oxide synthase (NADPH dependent), with EC number 1.14.13.39 Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed In certain neurodegenerative diseases damaging levels of nitric oxide (NO) are produced by neuronal nitric oxide synthase (nNOS). It, therefore, is important to develop inhibitors selective for nNOS that do not interfere with other NOS isoforms, especially endothelial NOS (eNOS), which is critical for proper functioning of the cardiovascular system. While we have been successful in developing potent and isoform-selective inhibitors, such as lead compounds 1 and 2, the ease of synthesis and bioavailability have been problematic. Here we describe a new series of compounds including crystal structures of NOS-inhibitor complexes that integrate the advantages of easy synthesis and good biological properties compared to the lead compounds. These results provide the basis for additional structure-activity relationship (SAR) studies to guide further improvement of isozyme selective inhibitors. In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.,Jing Q, Li H, Fang J, Roman LJ, Martasek P, Poulos TL, Silverman RB Bioorg Med Chem. 2013 Jun 15. pii: S0968-0896(13)00545-2. doi:, 10.1016/j.bmc.2013.06.014. PMID:23867386 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Nitric Oxide Synthase

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