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4K5E
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BU of 4k5e by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with (R)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2R)-3-aminopropane-1,2-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 (1.892 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
4KCL
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BU of 4kcl by Molmil
Structure of neuronal 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, N-(4-{2-[(3-{[(E)-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 (1.93 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
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BU of 4kcr by Molmil
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
6PN0
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BU of 6pn0 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-ethoxyphenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.229 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
6PNA
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BU of 6pna by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 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
6PN5
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BU of 6pn5 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.699 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
6PNH
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BU of 6pnh by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-isopropoxyphenyl)-4-methylquinolin-2-amine
分子名称: 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine, Nitric oxide synthase, brain, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 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
6POA
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BU of 6poa by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-3-ylmethoxy)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2019-07-03
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.809 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
6PP4
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BU of 6pp4 by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-3-ylmethoxy)phenyl)-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-[(pyridin-3-yl)methoxy]phenyl}-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 (2.2 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
6PMW
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BU of 6pmw by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(4-(Aminomethyl)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.748 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
6PN8
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BU of 6pn8 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(oxazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.838 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
6PN1
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BU of 6pn1 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-propoxyphenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.196 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
6PNC
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BU of 6pnc by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 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
6PN2
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BU of 6pn2 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-isopropoxyphenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.877 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
6PND
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BU of 6pnd by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 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
6PP2
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BU of 6pp2 by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-((4-(2-Amino-4-methylquinolin-7-yl)-2-(aminomethyl)phenoxy)methyl)benzonitrile
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
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 (2.02 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
6PN4
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BU of 6pn4 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclopropylmethoxy)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.898 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
6PNF
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BU of 6pnf by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-ethoxyphenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 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
6POC
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BU of 6poc by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(oxazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine
分子名称: 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine, GLYCEROL, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2019-07-03
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.998 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
6POW
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BU of 6pow by Molmil
Structure of human endotheial nitric oxide synthase heme domain in complex with 7-(5-(Aminomethyl)pyridin-3-yl)-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-[5-(aminomethyl)pyridin-3-yl]-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 (2.15 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
6PO5
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BU of 6po5 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclobutylmethoxy)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2019-07-03
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.82 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
6PP3
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BU of 6pp3 by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-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-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ...
著者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 (1.95 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
6PMY
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BU of 6pmy by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 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
6PN9
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BU of 6pn9 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-5-ylmethoxy)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.84 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
6PMX
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BU of 6pmx by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2019-07-02
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 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

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