6XK3
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6XK6
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6XK5
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6XMC
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1D0O
| BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 3-BROMO-7-NITROINDAZOLE (H4B PRESENT) | Descriptor: | 3-BROMO-7-NITROINDAZOLE, ACETATE ION, BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-09-13 | Release date: | 2001-11-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism. Biochemistry, 40, 2001
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2FKZ
| Reduced (All Ferrous) form of the Azotobacter vinelandii bacterioferritin | Descriptor: | Bacterioferritin, FE (II) ION, MAGNESIUM ION, ... | Authors: | Swartz, L, Kunchinskas, M, Li, H, Poulos, T.L, Lanzilotta, W.N. | Deposit date: | 2006-01-05 | Release date: | 2006-04-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Redox-Dependent Structural Changes in the Azotobacter vinelandii Bacterioferritin: New Insights into the Ferroxidase and Iron Transport Mechanism(,). Biochemistry, 45, 2006
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1D1W
| BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 2-AMINOTHIAZOLINE (H4B BOUND) | Descriptor: | 2-AMINOTHIAZOLINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Raman, C.S, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-09-21 | Release date: | 2000-10-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas. J.Inorg.Biochem., 81, 2000
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1CPO
| CHLOROPEROXIDASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLOROPEROXIDASE, ... | Authors: | Sundaramoorthy, M, Poulos, T.L. | Deposit date: | 1996-02-10 | Release date: | 1997-02-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of chloroperoxidase: a heme peroxidase--cytochrome P450 functional hybrid. Structure, 3, 1995
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2FL0
| Oxidized (All ferric) form of the Azotobacter vinelandii bacterioferritin | Descriptor: | Bacterioferritin, FE (II) ION, MAGNESIUM ION, ... | Authors: | Swartz, L, Kunchinskas, K, Li, H, Poulos, T.L, Lanzilotta, W.N. | Deposit date: | 2006-01-05 | Release date: | 2006-04-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Redox-Dependent Structural Changes in the Azotobacter vinelandii Bacterioferritin: New Insights into the Ferroxidase and Iron Transport Mechanism(,). Biochemistry, 45, 2006
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1DM6
| BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N-(4-CHLOROPHENYL)-N'-HYDROXYGUANIDINE (H4B FREE) | Descriptor: | ACETATE ION, CACODYLATE ION, N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-12-13 | Release date: | 2000-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism. Biochemistry, 40, 2001
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1DM7
| BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH HOMOARGININE (H4B FREE) | Descriptor: | ACETATE ION, CACODYLATE ION, GLYCEROL, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-12-13 | Release date: | 2000-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed With Various Inhibitors To be Published
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1DM8
| BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,2,4-TRIAZOLE-CARBOXAMIDINE (H4B BOUND) | Descriptor: | 1,2,4-TRIAZOLE-CARBOXAMIDINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-12-13 | Release date: | 2000-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structures of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed With Various Inhibitors To be Published
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1DMI
| BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 6S-H4B | Descriptor: | 6S-5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Kotsonis, P, Pfleiderer, W, Schmidt, H.H.H.W, Masters, B.S.S, Poulos, T.L. | Deposit date: | 1999-12-14 | Release date: | 2000-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with the Pterin Analogues To be Published
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1ED6
| BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-NIO (H4B FREE) | Descriptor: | ACETATE ION, CACODYLIC ACID, GLYCEROL, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. | Deposit date: | 2000-01-26 | Release date: | 2001-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors. Biochemistry, 40, 2001
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5ADI
| Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((5-((Methylamino)methyl)pyridin-3-yl)oxy)methyl)quinolin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine, NITRIC OXIDE SYNTHASE, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5AD8
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-Aminomethyl)phenoxy)methyl)quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5ADA
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl) quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5ADB
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl) quinolin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5ADG
| Structure of human nNOS R354A G357D mutant heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl)quinolin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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5AGM
| Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-oxoacetimidamido)pentanoic acid | Descriptor: | (S)-2-AMINO-5-(2-OXOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-02-02 | Release date: | 2015-04-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc., 137, 2015
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5AD6
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(Dimethylamino)methyl)phenoxy)methyl)quinolin-2- amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2015-08-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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4LUW
| Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-07-25 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and biological studies on bacterial nitric oxide synthase inhibitors. Proc.Natl.Acad.Sci.USA, 110, 2013
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4LWB
| Structure of Bacillus subtilis nitric oxide synthase in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, CHLORIDE ION, ... | Authors: | Holden, J.K, Li, H, Poulos, T.L. | Deposit date: | 2013-07-26 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and biological studies on bacterial nitric oxide synthase inhibitors. Proc.Natl.Acad.Sci.USA, 110, 2013
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4L77
| P450cin Active Site Water: Implications for Substrate Binding and Solvent Accessibility | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, P450cin, ... | Authors: | Madrona, Y, Poulos, T.L. | Deposit date: | 2013-06-13 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.379 Å) | Cite: | P450cin active site water: implications for substrate binding and solvent accessibility. Biochemistry, 52, 2013
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4L4F
| Structure of cyanide and camphor bound P450cam mutant L358A/K178G/D182N | Descriptor: | CAMPHOR, CYANIDE ION, Camphor 5-monooxygenase, ... | Authors: | Batabyal, D, Li, H, Poulos, T.L. | Deposit date: | 2013-06-07 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.294 Å) | Cite: | Synergistic Effects of Mutations in Cytochrome P450cam Designed To Mimic CYP101D1. Biochemistry, 52, 2013
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