PDB: 738 件ウェブページステータス検索Chemie searchBIRD

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5FVO	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-(3-methoxypropylamino)pyridin-3-yl)ethyl)-4- methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-(5-(3-methoxypropylamino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine, NITRIC OXIDE SYNTHASE, ... 著者 Li, H, Poulos, T.L. 登録日 2016-02-10 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.12 Å) 主引用文献 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
5FVU	Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl) pyridin-2-amine 分子名称: 1,2-ETHANEDIOL, 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... 著者 Li, H, Poulos, T.L. 登録日 2016-02-10 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.224 Å) 主引用文献 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
5G0O	Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with 4-METHYL-6-(2-(5-(4-METHYLPIPERAZIN-1-YL) PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE 分子名称: 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2016-03-21 公開日 2016-06-15 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase. Biochemistry, 55, 2016
5FVT	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-(3-(dimethylamino)propyl)pyridin-3-yl)ethyl)-4- methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2016-02-10 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.828 Å) 主引用文献 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
5FVP	Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine 分子名称: 4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2016-02-10 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.099 Å) 主引用文献 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
5FW0	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-((2-methoxyethyl)(methyl)amino)pyridin-3-yl) ethyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-(5-((2-methoxyethyl)(methyl)amino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2016-02-10 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
5G0P	Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN- 3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2016-03-21 公開日 2016-06-15 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase. Biochemistry, 55, 2016
5FVV	Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl) pyridin-2-amine 分子名称: 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ... 著者 Li, H, Poulos, T.L. 登録日 2016-02-10 公開日 2016-04-20 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker. J.Med.Chem., 59, 2016
4IMT	Structure of rat neuronal nitric oxide synthase in complex with 6,6'-((4-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-01-03 公開日 2013-04-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-guided design of selective inhibitors of neuronal nitric oxide synthase. J.Med.Chem., 56, 2013
4IMS	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) 分子名称: 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), ACETATE ION, CHLORIDE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-01-03 公開日 2013-04-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structure-guided design of selective inhibitors of neuronal nitric oxide synthase. J.Med.Chem., 56, 2013
4IMX	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 3,5-bis(2-(6-amino-4-methylpyridin-2-yl)ethyl)benzonitrile 分子名称: 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-01-03 公開日 2013-04-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structure-guided design of selective inhibitors of neuronal nitric oxide synthase. J.Med.Chem., 56, 2013
4JSI	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((3-(((3-fluorophenethyl)amino)methyl)phenoxy)methyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-03-22 公開日 2013-08-07 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures. Bioorg.Med.Chem., 21, 2013
4JSG	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((3-(3-aminopropoxy)phenoxy)methyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-03-22 公開日 2013-08-07 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures. Bioorg.Med.Chem., 21, 2013
4JSE	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(pentane-1,5-diyl)bis(4-methylpyridin-2-amine) 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine), ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-03-22 公開日 2013-08-07 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures. Bioorg.Med.Chem., 21, 2013
4JSK	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6,6'-(pentane-1,5-diyl)bis(4-methylpyridin-2-amine) 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine), ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-03-22 公開日 2013-08-07 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.28 Å) 主引用文献 In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures. Bioorg.Med.Chem., 21, 2013
4KCP	Structure of bovine endotheial nitric oxide synthase heme domain in complex with N-(4-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... 著者 Chreifi, G, Li, H, Poulos, T.L. 登録日 2013-04-24 公開日 2014-02-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
4K5K	Structure of bovine endothelial nitric oxide synthase heme domain in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-04-14 公開日 2013-09-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
4KCK	Structure of neuronal nitric oxide synthase heme domain in complex with N-(3-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-(3-{2-[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide, ... 著者 Li, H, Poulos, T.L. 登録日 2013-04-24 公開日 2014-02-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
4KCR	Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-(3-(((3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... 著者 Li, H, Poulos, T.L. 登録日 2013-04-24 公開日 2014-02-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
4KCH	Structure of neuronal nitric oxide synthase heme domain in complex with N,N'-([1,1'-biphenyl]-3,3'-diyl)bis(thiophene-2-carboximidamide) 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N,N'-biphenyl-3,3'-diyldithiophene-2-carboximidamide, ... 著者 Li, H, Poulos, T.L. 登録日 2013-04-24 公開日 2014-02-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
4K5F	Structure of neuronal nitric oxide synthase heme domain in complex with (S)-1,3-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-butan-4-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-04-14 公開日 2013-09-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
4IMU	Structure of rat neuronal nitric oxide synthase in complex with 6,6'-((5-(aminomethyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-01-03 公開日 2013-04-24 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 Structure-guided design of selective inhibitors of neuronal nitric oxide synthase. J.Med.Chem., 56, 2013
4JS9	Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, Mesoheme, Nitric oxide synthase, ... 著者 Hannibal, L, Page, R.C, Bolisetty, K, Yu, Z, Misra, S, Stuehr, D.J. 登録日 2013-03-22 公開日 2014-04-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.784 Å) 主引用文献 Kinetic and Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme To be Published
4JSM	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(((5-(((3-fluorophenethyl)amino)methyl)pyridin-3-yl)oxy)methyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-03-22 公開日 2013-08-07 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures. Bioorg.Med.Chem., 21, 2013
4JSJ	Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((5-(((3-fluorophenethyl)amino)methyl)pyridin-3-yl)oxy)methyl)-4-methylpyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-03-22 公開日 2013-08-07 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures. Bioorg.Med.Chem., 21, 2013

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