6XK8
 
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6XK4
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6XK7
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6XK3
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6XK6
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6XK5
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6XMC
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8UFU
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-4-methylquinolin-2-amine | | 分子名称: | (7M)-7-[(9S)-9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-4-methylquinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2023-10-04 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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8UFS
 | | Structure of human endothelial nitric oxide synthase E361Q mutant heme domain obtain after soaking crystal with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CALCIUM ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2023-10-04 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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8UFP
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride | | 分子名称: | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine, GLYCEROL, Nitric oxide synthase, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2023-10-04 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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8UFT
 | | Structure of human endothelial nitric oxide synthase P370N mutant heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine | | 分子名称: | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2023-10-04 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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8UFQ
 | | Structure of human neuronal nitric oxide synthase R354A/G357D/E597Q mutant heme domain obtained after soaking crystal with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, Nitric oxide synthase 1, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2023-10-04 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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8UFR
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride | | 分子名称: | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2023-10-04 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.871 Å) | | 主引用文献 | Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
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5UNY
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (RS)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | | 分子名称: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2017-01-31 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.82 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
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5UOB
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, CHLORIDE ION, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2017-01-31 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.292 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
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5UNR
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | | 分子名称: | 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2017-01-31 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.95 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
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5UO5
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with (RS)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | | 分子名称: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2017-01-31 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 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
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5UO1
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | | 分子名称: | 3-[(2-aminoquinolin-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 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 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
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5UOA
 | | Structure of human 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: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, CHLORIDE ION, ... | | 著者 | Chreifi, G, Li, H, Poulos, T.L. | | 登録日 | 2017-01-31 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 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
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5UO4
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile | | 分子名称: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]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 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2 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
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5UNT
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-7-[(3-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine | | 分子名称: | 4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2017-01-31 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.05 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
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5G69
 | | Structure of Bacillus subtilis Nitric Oxide Synthase 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, CHLORIDE ION, ... | | 著者 | Holden, J.K, Poulos, T.L. | | 登録日 | 2016-06-18 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.016 Å) | | 主引用文献 | Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
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5G6B
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5G6D
 | | Structure of Bacillus subtilis Nitric Oxide Synthase 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, CHLORIDE ION, ... | | 著者 | Holden, J.K, Poulos, T.L. | | 登録日 | 2016-06-18 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.821 Å) | | 主引用文献 | Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
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5G6C
 | | Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with 7-((3-Fluorophenethylamino)ethyl)quinolin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine, CHLORIDE ION, ... | | 著者 | Holden, J.K, Poulos, T.L. | | 登録日 | 2016-06-18 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
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