PDB: 1384 件ウェブページステータス検索Chemie searchBIRD

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1M9Q	human endothelial nitric oxide synthase with 5-nitroindazole bound 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-NITROINDAZOLE, ISOPROPYL ALCOHOL, ... 著者 Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. 登録日 2002-07-29 公開日 2002-08-07 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry, 41, 2002
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
1FOJ	BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 7-NITROINDAZOLE-2-CARBOXAMIDINE (H4B PRESENT) 分子名称: 7-NITROINDAZOLE, 7-NITROINDAZOLE-2-CARBOXAMIDINE, ACETATE ION, ... 著者 Raman, C.S, Li, H, Martasek, P, Masters, B.S, Poulos, T.L. 登録日 2000-08-28 公開日 2001-11-16 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism Biochemistry, 40, 2001
5FJ3	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE in the absence of acetate 分子名称: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ... 著者 Li, H, Poulos, T.L. 登録日 2015-10-06 公開日 2015-10-28 最終更新日 2015-11-25 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
5FJ2	Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2015-10-06 公開日 2015-10-28 最終更新日 2015-11-25 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
5G0N	Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-(5-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL) PYRIDIN-3-YL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine, ... 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 (1.936 Å) 主引用文献 Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase. Biochemistry, 55, 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
3HSP	Ternary structure of neuronal nitric oxide synthase with NHA and NO bound(2) 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... 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 (2.2 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
3HSO	Ternary structure of neuronal nitric oxide synthase with NHA and NO bound(1) 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-HYDROXY-L-ARGININE, ... 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 (2.02 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
4CAM	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-Fluorophenethylamino)methyl)quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-10-08 公開日 2014-02-19 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition. J.Med.Chem., 57, 2014
4CAN	Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(2-(3-Fluorobenzylamino)ethyl)quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2013-10-08 公開日 2014-02-19 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Simplified 2-Aminoquinoline-Based Scaffold for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition. J.Med.Chem., 57, 2014
3N2R	Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2010-05-18 公開日 2010-08-18 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-based design, synthesis, and biological evaluation of lipophilic-tailed monocationic inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 18, 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
2FC2	NO-HEME complex in a bacterial nitric oxide synthase. An Fe(III)-NO may cause nitrosation. 分子名称: 7,8-DIHYDROBIOPTERIN, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE, ... 著者 Pant, K, Crane, B.R. 登録日 2005-12-10 公開日 2006-08-22 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Nitrosyl-heme structures of Bacillus subtilis nitric oxide synthase have implications for understanding substrate oxidation. Biochemistry, 45, 2006
2NOD	MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND WATER BOUND IN ACTIVE CENTER 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. 登録日 1998-03-05 公開日 1999-03-23 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure of nitric oxide synthase oxygenase dimer with pterin and substrate. Science, 279, 1998
3NNZ	Structure of rat neuronal nitric oxide synthase heme domain complexed with 6-(((3S,4S)-4-(2-(3-Fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2010-06-24 公開日 2010-10-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Peripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase. Bioorg.Med.Chem.Lett., 20, 2010
6POX	Structure of human endothelialnitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-ethoxyphenyl)-4-methylquinolin-2-amine 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine, ... 著者 Chreifi, G, Li, H, Poulos, T.L. 登録日 2019-07-05 公開日 2020-04-29 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.197 Å) 主引用文献 First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate. J.Med.Chem., 63, 2020
3NLT	Structure of endothelial nitric oxide synthase heme domain complexed with N1-{(3'S,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, 6-({(3S,4S)-4-[2-({2,2-difluoro-2-[(2R)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine, CACODYLIC ACID, ... 著者 Xue, F, Li, H, Fang, J, Delker, S.L, Poulos, T.L, Silverman, R.B. 登録日 2010-06-21 公開日 2011-01-19 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase. J.Am.Chem.Soc., 132, 2010
3NLU	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, 6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... 著者 Xue, F, Li, H, Fang, J, Delker, S.L, Poulos, T.L, Silverman, R.B. 登録日 2010-06-21 公開日 2011-01-19 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase. J.Am.Chem.Soc., 132, 2010
6CIF	Structure of the human endothelial nitric oxide synthase heme domain in complex with N-(1-(Piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... 著者 Chreifi, G, Li, H, Poulos, T.L. 登録日 2018-02-23 公開日 2018-10-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides. Biochemistry, 57, 2018
6CIE	Structure of human endothelial nitric oxide synthase heme domain in complex with N-(1-(2-(Ethyl(methyl)amino)ethyl)-1,2,3,4-tetrahydroquino-lin-6-yl)thiophene-2-carboximidamide 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, ... 著者 Chreifi, G, Li, H, Poulos, T.L. 登録日 2018-02-23 公開日 2018-10-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides. Biochemistry, 57, 2018
6CIC	Structure of the human nitric oxide synthase R354A/G357D mutant heme domain in complex with N-(1-(2-(Ethyl(methyl)amino)ethyl)-1,2,3,4-tetrahydroquino-lin-6-yl)thiophene-2-carboximidamide 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-(1-{2-[ethyl(methyl)amino]ethyl}-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide, ... 著者 Li, H, Poulos, T.L. 登録日 2018-02-23 公開日 2018-10-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.752 Å) 主引用文献 Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides. Biochemistry, 57, 2018
1D1Y	BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,3-PBITU (H4B FREE) 分子名称: 1,2-ETHANEDIOL, 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA, ACETATE ION, ... 著者 Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L. 登録日 1999-09-21 公開日 2001-07-25 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase. J.Biol.Chem., 276, 2001
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 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, N-[1-(piperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide, ... 著者 Li, H, Poulos, T.L. 登録日 2018-02-23 公開日 2018-10-31 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides. Biochemistry, 57, 2018
3NNY	Structure of rat neuronal nitric oxide synthase heme domain complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ... 著者 Li, H, Poulos, T.L. 登録日 2010-06-24 公開日 2010-10-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Peripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase. Bioorg.Med.Chem.Lett., 20, 2010

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