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8FGC
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BU of 8fgc by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-aminoethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.779 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGF
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BU of 8fgf by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)pyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGV
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BU of 8fgv by Molmil
Structure of rat neuronal nitric oxide synthase H692F mutant heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methoxypyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methoxypyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGG
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BU of 8fgg by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGD
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BU of 8fgd by Molmil
Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-(5-(2-(diethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(diethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGS
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BU of 8fgs by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(5-(2-(diethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(diethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.8449 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGP
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BU of 8fgp by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methoxypyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methoxypyridin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGJ
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BU of 8fgj by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methoxypyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGB
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BU of 8fgb by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-6-methylpyrimidin-2-amine
分子名称: 4-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-6-methylpyrimidin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGT
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BU of 8fgt by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(2,3-difluoro-5-(2-(4-methylpiperazin-1-yl)ethyl)phenethyl)-4-methylpyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGA
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BU of 8fga by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.8947 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGL
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BU of 8fgl by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(2,3-difluoro-5-(2-(4-methylpiperazin-1-yl)ethyl)phenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGM
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BU of 8fgm by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-(difluoromethyl)-6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)pyridin-2-amine
分子名称: 4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGK
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BU of 8fgk by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(2-(diethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(diethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FGU
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BU of 8fgu by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(difluoromethyl)-6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)pyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2022-12-12
公開日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors.
J.Med.Chem., 66, 2023
8FZ8
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BU of 8fz8 by Molmil
Structure of cytochrome P450sky2
分子名称: Cytochrome P450, OCTANOIC ACID (CAPRYLIC ACID), PROTOPORPHYRIN IX CONTAINING FE
著者Murarka, V.C, Poulos, T.L.
登録日2023-01-27
公開日2024-02-07
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Biosynthesis of a new skyllamycin in Streptomyces nodosus : a cytochrome P450 forms an epoxide in the cinnamoyl chain.
Org.Biomol.Chem., 22, 2024
1K2T
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BU of 1k2t by Molmil
Structure of rat brain nNOS heme domain complexed with S-ethyl-N-phenyl-isothiourea
分子名称: 2-ETHYL-1-PHENYL-ISOTHIOUREA, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S.
登録日2001-09-28
公開日2003-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of rat brain nNOS heme domain
To be Published
1K2R
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BU of 1k2r by Molmil
Structure of rat brain nNOS heme domain complexed with NG-nitro-L-arginine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-OMEGA-NITRO-L-ARGININE, ...
著者Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S.
登録日2001-09-28
公開日2003-03-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of rat brain nNOS heme domain
To be Published
1K2S
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BU of 1k2s by Molmil
Structure of rat brain nNOS heme domain complexed with NG-allyl-L-arginine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 5-N-ALLYL-ARGININE, ACETATE ION, ...
著者Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S.
登録日2001-09-28
公開日2003-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of rat brain nNOS heme domain
To be Published
1K2U
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BU of 1k2u by Molmil
Structure of rat brain nNOS heme domain complexed with S-ethyl-N-[4-(trifluoromethyl)phenyl] isothiourea
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L, Raman, C.S.
登録日2001-09-28
公開日2003-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of rat brain nNOS heme domain
To be Published
4LUW
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BU of 4luw by Molmil
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
分子名称: 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, ...
著者Li, H, Poulos, T.L.
登録日2013-07-25
公開日2013-10-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110, 2013
6CIF
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BU of 6cif by Molmil
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
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BU of 6cie by Molmil
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
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BU of 6cic by Molmil
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
6CXV
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BU of 6cxv by Molmil
Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide
分子名称: 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ...
著者Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L.
登録日2018-04-04
公開日2018-06-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018

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