PDB: 1376 件ウェブページステータス検索Chemie searchBIRD

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5VVG	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-chlorobenzonitrile 分子名称: 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2017-05-19 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
1VAG	Neuronal nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE, Nitric-oxide synthase, ... 著者 Fedorov, R, Vasan, R, Ghosh, D.K, Schlichting, I. 登録日 2004-02-16 公開日 2004-06-01 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structures of nitric oxide synthase isoforms complexed with the inhibitor AR-R17477 suggest a rational basis for specificity and inhibitor design Proc.Natl.Acad.Sci.USA, 101, 2004
5UOD	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3-[(2-Amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile 分子名称: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... 著者 Li, H, Poulos, T.L. 登録日 2017-01-31 公開日 2017-05-03 最終更新日 2020-01-01 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
3JTA	Structure of neuronal nitric oxide synthase heme domain in the ferrous state complexed with N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2009-09-11 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 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
3JWZ	Structure of endothelial nitric oxide synthase heme domain complexed with N1-[(3' S,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... 著者 Delker, S.L, Li, H, Poulos, T.L. 登録日 2009-09-18 公開日 2010-05-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 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
5VUL	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)phenethyl)amino)methyl)quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2017-05-19 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
4CWW	Structure of bovine endothelial 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 分子名称: 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, ... 著者 Li, H, Poulos, T.L. 登録日 2014-04-03 公開日 2014-08-13 最終更新日 2014-09-03 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry, 53, 2014
4CWY	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL) PYRROLIDIN-3-YL)OXY)PENTYL)-4-METHYLPYRIDIN-2-AMINE 分子名称: 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, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2014-04-03 公開日 2014-08-13 最終更新日 2014-09-03 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry, 53, 2014
5VUM	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2017-05-19 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
4CWV	Structure of bovine endothelial 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 分子名称: 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, ... 著者 Li, H, Poulos, T.L. 登録日 2014-04-03 公開日 2014-08-13 最終更新日 2014-09-03 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry, 53, 2014
5VUJ	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2017-05-19 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.952 Å) 主引用文献 Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
5VUU	Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile 分子名称: 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2017-05-19 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
5VUQ	Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)benzonitrile 分子名称: 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2017-05-19 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.002 Å) 主引用文献 Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
3JT8	Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-L-ornithine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2009-09-11 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 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
3JT4	Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2009-09-11 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 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
3JWX	Structure of endothelial nitric oxide synthase 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 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... 著者 Delker, S.L, Li, H, Poulos, T.L. 登録日 2009-09-18 公開日 2010-05-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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
3JT7	Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(propylsulfanyl)ethanimidoyl]-L-ornithine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2009-09-11 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 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
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 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... 著者 Delker, S.L, Li, H, Poulos, T.L. 登録日 2009-09-18 公開日 2010-05-05 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 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
3HSN	Ternary structure of neuronal nitric oxide synthase with NHA and CO bound 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CARBON MONOXIDE, ... 著者 Doukov, T, Li, H, Soltis, M, Poulos, T.L. 登録日 2009-06-10 公開日 2009-10-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Single crystal structural and absorption spectral characterizations of nitric oxide synthase complexed with N(omega)-hydroxy-L-arginine and diatomic ligands. Biochemistry, 48, 2009
3JT5	Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2009-09-11 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 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
3JT9	Structure of neuronal nitric oxide synthase heme domain in the ferrous state complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2009-09-11 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 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
5VUP	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(5-Fluoropyridin-3-yl)propyl)amino)methyl)quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2017-05-19 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
5VVA	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile 分子名称: 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... 著者 Li, H, Poulos, T.L. 登録日 2017-05-19 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
5VVN	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)benzonitrile 分子名称: 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2017-05-19 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
3JT6	Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... 著者 Li, H, Poulos, T.L. 登録日 2009-09-11 公開日 2010-01-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 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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