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2FLQ	Crystal Structure of Nitric Oxide Synthase from Geobacillus Stearothermophilus (ATCC 12980) complexed with L-arginine Descriptor: ARGININE, Nitric Oxide Synthase, PROTOPORPHYRIN IX CONTAINING FE Authors: Sudhamsu, J, Crane, B.R. Deposit date: 2006-01-06 Release date: 2006-01-31 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Structure and Reactivity of a Thermostable Prokaryotic Nitric-oxide Synthase That Forms a Long-lived Oxy-Heme Complex. J.Biol.Chem., 281, 2006
2G6L	Structure of rat nNOS heme domain (BH2 bound) complexed with NO Descriptor: 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ... Authors: Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. Deposit date: 2006-02-24 Release date: 2006-08-08 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
2G6N	Strcture of rat nNOS heme domain (BH2 bound) complexed with CO Descriptor: 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ... Authors: Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. Deposit date: 2006-02-24 Release date: 2006-08-08 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
2FC2	NO-HEME complex in a bacterial nitric oxide synthase. An Fe(III)-NO may cause nitrosation. Descriptor: 7,8-DIHYDROBIOPTERIN, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE, ... Authors: Pant, K, Crane, B.R. Deposit date: 2005-12-10 Release date: 2006-08-22 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Nitrosyl-heme structures of Bacillus subtilis nitric oxide synthase have implications for understanding substrate oxidation. Biochemistry, 45, 2006
3UFS	Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(3-chloro-5-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2011-11-01 Release date: 2012-07-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.971 Å) Cite: Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
2G6K	Structure of rat nNOS heme domain (BH4 bound) complexed with NO Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ... Authors: Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. Deposit date: 2006-02-24 Release date: 2006-08-08 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
2G6M	Structure of rat nNOS heme domain (BH4 bound) complexed with CO Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ... Authors: Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. Deposit date: 2006-02-24 Release date: 2006-08-08 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
2G6I	Structure of rat nNOS heme domain (BH2-bound) in the reduced form Descriptor: 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ... Authors: Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. Deposit date: 2006-02-24 Release date: 2006-08-08 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
2G6O	Structure of bovine eNOS heme domain (BH4-free) complexed with CO Descriptor: ACETATE ION, ARGININE, CACODYLATE ION, ... Authors: Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. Deposit date: 2006-02-24 Release date: 2006-08-08 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
3TYL	Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((2-fluorobenzyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2011-09-26 Release date: 2012-03-14 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 20, 2012
2FBZ	Heme-No complex in a bacterial Nitric Oxide Synthase Descriptor: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE, ... Authors: Pant, K, Crane, B.R. Deposit date: 2005-12-10 Release date: 2006-08-29 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Nitrosyl-heme structures of Bacillus subtilis nitric oxide synthase have implications for understanding substrate oxidation. Biochemistry, 45, 2006
3UFR	Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(((E)-5-(3-fluorophenyl)pent-4-en-1-yl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[(3E)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2011-11-01 Release date: 2012-07-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.097 Å) Cite: Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
3UFT	Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(4-(3-chloro-5-fluorophenoxy)butoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({(3R,4R)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2011-11-01 Release date: 2012-07-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.078 Å) Cite: Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
3UFW	Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(6-aminopyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2011-11-01 Release date: 2012-07-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
2G6H	Structure of rat nNOS heme domain (BH4 bound) in the reduced form Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ... Authors: Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. Deposit date: 2006-02-24 Release date: 2006-08-08 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
2G6J	Structure of rat nNOS (L337N) heme domain (4-aminobiopterin bound) complexed with NO Descriptor: (1S,2S)-1-(2,4-DIAMINOPTERIDIN-6-YL)PROPANE-1,2-DIOL, ACETATE ION, ARGININE, ... Authors: Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. Deposit date: 2006-02-24 Release date: 2006-08-08 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
3UFO	Structure of rat nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-((5-(3-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2011-11-01 Release date: 2012-07-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.169 Å) Cite: Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
3UFV	Structure of rat nitric oxide synthase heme domain in complex with 4-methyl-6-(((3R,4R)-4-((5-(4-methylpyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)pyridin-2-amine Descriptor: 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2011-11-01 Release date: 2012-07-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.078 Å) Cite: Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
3UFQ	Structure of rat nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(((E)-5-(3-fluorophenyl)pent-4-en-1-yl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{[(4E)-5-(3-fluorophenyl)pent-4-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2011-11-01 Release date: 2012-07-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.058 Å) Cite: Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
3UFU	Structure of rat nitric oxide synthase heme domain in complex with 4-methyl-6-(((3R,4R)-4-((5-(pyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)pyridin-2-amine Descriptor: 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2011-11-01 Release date: 2012-07-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.886 Å) Cite: Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations. J.Am.Chem.Soc., 134, 2012
3TYO	Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((furan-2-ylmethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{2-[(furan-2-ylmethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2011-09-26 Release date: 2012-03-14 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.927 Å) Cite: Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 20, 2012
3TYM	Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((2-methoxybenzyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2011-09-26 Release date: 2012-03-14 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 20, 2012
2HX4	Rat nNOS heme domain complexed with 4-N-(Nw-nitro-L-argininyl)-trans-4-hydroxyamino-L-proline amide Descriptor: (4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMINO)METHYL]-L-ORNITHYL}AMINO)-L-PROLINAMIDE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... Authors: Igarashi, J, Li, H, Poulos, T.L. Deposit date: 2006-08-02 Release date: 2007-04-24 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water. J.Med.Chem., 50, 2007
2HX2	Bovine eNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine Descriptor: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... Authors: Igarashi, J, Li, H, Poulos, T.L. Deposit date: 2006-08-02 Release date: 2007-04-24 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water. J.Med.Chem., 50, 2007
2HX3	Rat nNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine Descriptor: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... Authors: Igarashi, J, Li, H, Poulos, T.L. Deposit date: 2006-08-02 Release date: 2007-04-24 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure-Based Design and Synthesis of N(omega)-Nitro-l-Arginine-Containing Peptidomimetics as Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water. J.Med.Chem., 50, 2007

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