4UGE
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![BU of 4uge by Molmil](/molmil-images/mine/4uge) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 4-methyl-6-((3-(piperidin-4-ylmethoxy)phenoxy)methyl)pyridin-2-amine | Descriptor: | 4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGC
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![BU of 4ugc by Molmil](/molmil-images/mine/4ugc) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(((2S)-3-aminopropane-1,2-diyl)bis(oxymethanediyl))bis(4- methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UCH
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![BU of 4uch by Molmil](/molmil-images/mine/4uch) | Structure of human nNOS R354A G357D mutant heme domain in complex with 3-(((2-((2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL)AMINO)METHYL) BENZONITRILE | Descriptor: | 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-12-03 | Release date: | 2014-12-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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4UGT
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![BU of 4ugt by Molmil](/molmil-images/mine/4ugt) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-(3-((pyrrolidin-3-yloxy)methyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UG8
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![BU of 4ug8 by Molmil](/molmil-images/mine/4ug8) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(5-((3R,4R)-4-((6-azanyl-4-methyl-pyridin-2-yl)methyl)pyrrolidin-3- yl)oxypentyl)-4-methyl-pyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGL
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![BU of 4ugl by Molmil](/molmil-images/mine/4ugl) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-fluorophenyl)-N1- cyclopropyl-N2-methylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGN
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![BU of 4ugn by Molmil](/molmil-images/mine/4ugn) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with (S)-N-(3-(((Pyrrolidin-2-ylmethyl)amino)methyl)phenyl)thiophene-2- carboximidamide | Descriptor: | (S)-N-(3-(((Pyrrolidin-2-ylmethyl)amino)methyl)phenyl)thiophene-2-carboximidamide, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGZ
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![BU of 4ugz by Molmil](/molmil-images/mine/4ugz) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1, N2-dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.076 Å) | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem., 58, 2015
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4UGV
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![BU of 4ugv by Molmil](/molmil-images/mine/4ugv) | Structure of Y357F Bacillus subtilis Nitric Oxide Synthase in complex with Arginine and 5,6,7,8-TETRAHYDROBIOPTERIN | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.985 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGP
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![BU of 4ugp by Molmil](/molmil-images/mine/4ugp) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N',N'-(((2R)-3-aminopropane-1,2-diyl)bis(oxymethanediylbenzene-3,1- diyl))dithiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGW
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![BU of 4ugw by Molmil](/molmil-images/mine/4ugw) | Structure of Y357F Bacillus subtilis Nitric Oxide Synthase in complex with 6-(5-((3R,4R)-4-((6-azanyl-4-methyl-pyridin-2-yl)methyl) pyrrolidin-3-yl)oxypentyl)-4-methyl-pyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UGR
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![BU of 4ugr by Molmil](/molmil-images/mine/4ugr) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N-(3-(((2S,4S)-4-((3-((C-thiophen-2-ylcarbonimidoyl)amino)phenyl) methoxy)pyrrolidin-2-yl)methoxymethyl)phenyl)thiophene-2- carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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4UH0
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![BU of 4uh0 by Molmil](/molmil-images/mine/4uh0) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(6-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-2- yl)-N1,N2-dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N'-[6-[2-(6-AZANYL-4-METHYL-PYRIDIN-2-YL)ETHYL]PYRIDIN-2-YL]-N,N'-DIMETHYL-ETHANE-1,2-DIAMINE, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.039 Å) | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem., 58, 2015
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4UH4
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![BU of 4uh4 by Molmil](/molmil-images/mine/4uh4) | Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile | Descriptor: | 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem., 58, 2015
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4UPP
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![BU of 4upp by Molmil](/molmil-images/mine/4upp) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N'-[4-[[(2S,4R)-4-[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N'-[4-[[(2S,4R)-4-[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-06-17 | Release date: | 2014-08-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem.Lett., 24, 2014
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4UPO
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![BU of 4upo by Molmil](/molmil-images/mine/4upo) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-06-17 | Release date: | 2014-08-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem.Lett., 24, 2014
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4UH6
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![BU of 4uh6 by Molmil](/molmil-images/mine/4uh6) | Structure of human nNOS R354A G357D mutant heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile | Descriptor: | 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem., 58, 2015
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4UH3
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![BU of 4uh3 by Molmil](/molmil-images/mine/4uh3) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5- fluorophenyl)-N1,N2-dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-FLUOROPHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem., 58, 2015
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4UPN
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![BU of 4upn by Molmil](/molmil-images/mine/4upn) | Structure of rat neuronal nitric oxide synthase heme domain in complex with N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-06-17 | Release date: | 2014-08-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem.Lett., 24, 2014
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3N5V
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![BU of 3n5v by Molmil](/molmil-images/mine/3n5v) | Structure of neuronal nitric oxide synthase heme domain in complex with 4-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenethyl)-6-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Delker, S.L, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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3N69
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![BU of 3n69 by Molmil](/molmil-images/mine/3n69) | Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain complexed with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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3N5P
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![BU of 3n5p by Molmil](/molmil-images/mine/3n5p) | Structure of endothelial nitric oxide synthase heme domain complexed with 4-(2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)ethyl)-6-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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3N62
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![BU of 3n62 by Molmil](/molmil-images/mine/3n62) | Structure of neuronal nitric oxide synthase D597N mutant heme domain in complex with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), ACETATE ION, ... | Authors: | Li, H, Delker, S.L, Poulos, T.L. | Deposit date: | 2010-05-25 | Release date: | 2011-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 2010
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4UH9
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![BU of 4uh9 by Molmil](/molmil-images/mine/4uh9) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5- fluorophenyl)-N1,N2-dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-03-23 | Release date: | 2015-07-15 | Last modified: | 2015-08-05 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | 2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity. J.Med.Chem., 58, 2015
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4UGY
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![BU of 4ugy by Molmil](/molmil-images/mine/4ugy) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2- dimethylethane-1,2-diamine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2015-03-22 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry, 54, 2015
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