3JX6
| Structure of neuronal nitric oxide synthase D597N/M336V/Y706A mutant heme domain complexed with N1-[(3' R,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2009-09-18 | Release date: | 2010-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
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6CXU
| Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide | Descriptor: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L. | Deposit date: | 2018-04-04 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1. J. Am. Chem. Soc., 140, 2018
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6CID
| Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-02-23 | Release date: | 2018-10-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides. Biochemistry, 57, 2018
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3JT7
| Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(propylsulfanyl)ethanimidoyl]-L-ornithine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
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3JWY
| Structure of endothelial nitric oxide synthase heme domain complexed with N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... | Authors: | Delker, S.L, Li, H, Poulos, T.L. | Deposit date: | 2009-09-18 | Release date: | 2010-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model. J.Am.Chem.Soc., 132, 2010
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3JT9
| Structure of neuronal nitric oxide synthase heme domain in the ferrous state complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
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1SCH
| PEANUT PEROXIDASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PEANUT PEROXIDASE, ... | Authors: | Schuller, D.J, Poulos, T.L. | Deposit date: | 1996-01-23 | Release date: | 1996-07-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The crystal structure of peanut peroxidase. Structure, 4, 1996
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1S8C
| Crystal structure of human heme oxygenase in a complex with biliverdine | Descriptor: | BILIVERDINE IX ALPHA, Heme oxygenase 1 | Authors: | Lad, L, Friedman, J, Li, H, Bhaskar, B, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2004-02-02 | Release date: | 2004-08-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystal Structure of Human Heme Oxygenase-1 in a Complex with Biliverdin Biochemistry, 43, 2004
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1S6V
| Structure of a cytochrome c peroxidase-cytochrome c site specific cross-link | Descriptor: | Cytochrome c peroxidase, mitochondrial, Cytochrome c, ... | Authors: | Guo, M, Bhaskar, B, Li, H, Barrows, T.P, Poulos, T.L. | Deposit date: | 2004-01-27 | Release date: | 2004-04-27 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure and characterization of a cytochrome c peroxidase-cytochrome c site-specific cross-link Proc.Natl.Acad.Sci.USA, 101, 2004
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1S13
| Human Heme Oxygenase Oxidatition of alpha- and gamma-meso-Phenylhemes | Descriptor: | 2-PHENYLHEME, Heme oxygenase 1 | Authors: | Wang, J, Niemevz, F, Lad, L, Buldain, G, Poulos, T.L, Ortiz de Montellano, P.R. | Deposit date: | 2004-01-05 | Release date: | 2004-08-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Human heme oxygenase oxidation of 5- and 15-phenylhemes. J.Biol.Chem., 279, 2004
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1STQ
| Cyrstal Structure of Cytochrome c Peroxidase Mutant: CcPK2M3 | Descriptor: | Cytochrome c peroxidase, mitochondrial, POTASSIUM ION, ... | Authors: | Barrows, T.P, Bhaskar, B, Poulos, T.L. | Deposit date: | 2004-03-25 | Release date: | 2004-07-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Electrostatic control of the tryptophan radical in cytochrome c peroxidase. Biochemistry, 43, 2004
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1T2B
| Crystal Structure of cytochrome P450cin complexed with its substrate 1,8-cineole | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, P450cin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Meharenna, Y.T, Li, H, Hawkes, D.B, Pearson, A.G, De Voss, J, Poulos, T.L. | Deposit date: | 2004-04-20 | Release date: | 2005-04-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of P450cin in a complex with its substrate, 1,8-cineole, a close structural homologue to D-camphor, the substrate for P450cam Biochemistry, 43, 2004
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1TWR
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1TWN
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1T86
| Crystal Structure of the Ferrous Cytochrome P450cam Mutant (L358P/C334A) | Descriptor: | CAMPHOR, Cytochrome P450-cam, POTASSIUM ION, ... | Authors: | Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L. | Deposit date: | 2004-05-11 | Release date: | 2004-05-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding. J.Biol.Chem., 279, 2004
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1T87
| Crystal Structure of the Ferrous CO-bound Cytochrome P450cam (C334A) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CARBON MONOXIDE, ... | Authors: | Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L. | Deposit date: | 2004-05-11 | Release date: | 2004-05-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding. J.Biol.Chem., 279, 2004
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1T88
| Crystal Structure of the Ferrous Cytochrome P450cam (C334A) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ... | Authors: | Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L. | Deposit date: | 2004-05-11 | Release date: | 2004-05-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding. J.Biol.Chem., 279, 2004
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1T5P
| Human Heme Oxygenase Oxidation of alpha- and gamma-meso-phenylhemes | Descriptor: | 12-PHENYLHEME, Heme oxygenase 1 | Authors: | Wang, J, Niemevz, F, Lad, L, Buldain, G, Poulos, T.L, Ortiz de Montellano, P.R. | Deposit date: | 2004-05-05 | Release date: | 2004-08-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Human heme oxygenase oxidation of 5- and 15-phenylhemes. J.Biol.Chem., 279, 2004
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1T85
| Crystal Structure of the Ferrous CO-bound Cytochrome P450cam Mutant (L358P/C334A) | Descriptor: | CAMPHOR, CARBON MONOXIDE, Cytochrome P450-cam, ... | Authors: | Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L. | Deposit date: | 2004-05-11 | Release date: | 2004-06-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding. J.Biol.Chem., 279, 2004
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1SOG
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6NG2
| Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)prop-1-yn-1-yl)-5-fluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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6NGD
| Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(3-(dimethylamino)propyl)-2,3,4-trifluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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6NGR
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.819 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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6NH1
| Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine, ... | Authors: | Chreifi, G, Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.216 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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6NGB
| Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,5-difluorophenethyl)-4-methylpyridin-2-amine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2018-12-21 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019
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