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PDB: 128 件
4K5I
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BU of 4k5i by Molmil
Structure of bovine endothelial 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 (2.08 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
4D33
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BU of 4d33 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with (N1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N2-(3- fluorophenethyl)ethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.087 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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
5FVY
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BU of 5fvy by Molmil
Structure of bovine endothelial nitric oxide synthase 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2016-06-08
実験手法X-RAY DIFFRACTION (2.098 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
3NSE
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BU of 3nse by Molmil
BOVINE ENOS, H4B-FREE, SEITU COMPLEX
分子名称: ACETATE ION, ARGININE, CACODYLATE ION, ...
著者Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
登録日1998-09-23
公開日1999-05-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
1FOJ
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BU of 1foj by Molmil
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
4D37
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BU of 4d37 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl) pyrimidin-4-yl]ethanamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2015-03-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
3NLH
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BU of 3nlh by Molmil
Structure of endothelial nitric oxide synthase heme domain N368D mutant complexed with 6-{{(3'S,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-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}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Delker, S.L, Li, H, Poulos, T.L.
登録日2010-06-21
公開日2010-11-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.
J.Med.Chem., 53, 2010
1DM7
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BU of 1dm7 by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH HOMOARGININE (H4B FREE)
分子名称: ACETATE ION, CACODYLATE ION, GLYCEROL, ...
著者Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L.
登録日1999-12-13
公開日2000-12-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed With Various Inhibitors
To be Published
4CX1
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BU of 4cx1 by Molmil
Structure of bovine endothelial nitric oxide synthase L111A mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
分子名称: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-04-03
公開日2014-08-13
最終更新日2014-09-03
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
1ZZT
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BU of 1zzt by Molmil
Bovine eNOS N368D/V106M double mutant with L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide Bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE, ...
著者Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2005-06-14
公開日2005-12-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
4UH9
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BU of 4uh9 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5- fluorophenyl)-N1,N2-dimethylethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2015-03-23
公開日2015-07-15
最終更新日2015-08-05
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
5VV8
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BU of 5vv8 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile
分子名称: 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2017-05-19
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
4CWY
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BU of 4cwy by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL) PYRROLIDIN-3-YL)OXY)PENTYL)-4-METHYLPYRIDIN-2-AMINE
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-04-03
公開日2014-08-13
最終更新日2014-09-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CWX
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BU of 4cwx by Molmil
ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE COMPLEX1
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-04-03
公開日2014-08-13
最終更新日2022-12-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4CWW
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BU of 4cww by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4-METHYLPYRIDIN-2-YL)PENTYL) OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
分子名称: 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-04-03
公開日2014-08-13
最終更新日2014-09-03
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
4D35
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BU of 4d35 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine
分子名称: 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-10-20
公開日2014-12-24
最終更新日2015-03-04
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
3N5S
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BU of 3n5s by Molmil
Structure of endothelial nitric oxide synthase heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine, ACETATE ION, ...
著者Delker, S.L, Li, H, Poulos, T.L.
登録日2010-05-25
公開日2011-02-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
5ADM
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BU of 5adm by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-Aminomethyl)phenoxy)methyl)quinolin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2015-08-20
公開日2015-10-28
最終更新日2015-11-25
実験手法X-RAY DIFFRACTION (2.196 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
4UPT
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BU of 4upt by Molmil
structure of bovine endothelial nitric oxide synthase heme domain in complex with n'-[4-[[(2s,4r)-4-[3-[(c-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]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2014-06-17
公開日2014-08-20
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
4CX0
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BU of 4cx0 by Molmil
Structure of bovine endothelial nitric oxide synthase Y477A mutant heme domain in complex with 6-((((3S, 5R)-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-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2014-04-03
公開日2014-08-13
最終更新日2014-09-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases.
Biochemistry, 53, 2014
1FOL
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BU of 1fol by Molmil
REDUCED BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG(H4B-FREE)
分子名称: ACETATE ION, ARGININE, CACODYLATE 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2001-07-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors
Biochemistry, 40, 2001
5FJ3
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BU of 5fj3 by Molmil
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
3JWW
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BU of 3jww by Molmil
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, ACETATE ION, CACODYLIC ACID, ...
著者Delker, S.L, Li, H, Poulos, T.L.
登録日2009-09-18
公開日2010-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
1D1Y
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BU of 1d1y by Molmil
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

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