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PDB: 1642 件
4JSI
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BU of 4jsi by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((3-(((3-fluorophenethyl)amino)methyl)phenoxy)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-03-22
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
4JSF
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BU of 4jsf by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(heptane-1,7-diyl)bis(4-methylpyridin-2-amine)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine), ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-03-22
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
4JSE
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BU of 4jse by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(pentane-1,5-diyl)bis(4-methylpyridin-2-amine)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine), ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-03-22
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
4JSK
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BU of 4jsk by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6,6'-(pentane-1,5-diyl)bis(4-methylpyridin-2-amine)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine), ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-03-22
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
4K5K
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BU of 4k5k by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S,3S)-2-aminobutane-1,3-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 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
4K5D
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BU of 4k5d by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with (S)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S)-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 (2.096 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
4K5J
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BU of 4k5j by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with (S)-1,3-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-butan-4-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-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 (2.36 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
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
4K5F
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BU of 4k5f by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with (S)-1,3-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-butan-4-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-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 (2.2 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
4K5G
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BU of 4k5g by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S,3S)-2-aminobutane-1,3-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 (1.85 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
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
4LNQ
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BU of 4lnq by Molmil
Crystal structure of Ifi202 HINa domain in complex with 20bp dsDNA
分子名称: 20bp DNA, Interferon-activable protein 202
著者Li, H, Wang, Z.-X, Wu, J.-W.
登録日2013-07-12
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural mechanism of DNA recognition by the p202 HINa domain: insights into the inhibition of Aim2-mediated inflammatory signalling.
Acta Crystallogr F Struct Biol Commun, 70, 2014
5E6F
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BU of 5e6f by Molmil
Canarypox virus resolvase
分子名称: CNPV261 Holliday junction resolvase protein, D(-)-TARTARIC ACID, MAGNESIUM ION
著者Li, H, Hwang, Y, Perry, K, Bushman, F.D, Van Duyne, G.D.
登録日2015-10-09
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Metal Binding Properties of a Poxvirus Resolvase.
J.Biol.Chem., 291, 2016
5FB1
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BU of 5fb1 by Molmil
Crystal Structure of a PHD finger bound to histone H3 K9me3 peptide
分子名称: MALONATE ION, Nuclear autoantigen Sp-100, Peptide from Histone H3, ...
著者Li, H, Zhang, X.
登録日2015-12-13
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multifaceted Histone H3 Methylation and Phosphorylation Readout by the Plant Homeodomain Finger of Human Nuclear Antigen Sp100C
J.Biol.Chem., 291, 2016
5FJ2
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BU of 5fj2 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
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
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
5FMG
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BU of 5fmg by Molmil
Structure and function based design of Plasmodium-selective proteasome inhibitors
分子名称: (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, BETA3 PROTEASOME SUBUNIT, PUTATIVE, ...
著者Li, H, O'Donoghue, A.J, van der Linden, W.A, Xie, S.C, Yoo, E, Foe, I.T, Tilley, L, Craik, C.S, da Fonseca, P.C.A, Bogyo, M.
登録日2015-11-04
公開日2016-03-02
最終更新日2017-08-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure and Function Based Design of Plasmodium-Selective Proteasome Inhibitors
Nature, 530, 2016
5FB0
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BU of 5fb0 by Molmil
Crystal Structure of a PHD finger bound to histone H3 T3ph peptide
分子名称: Nuclear autoantigen Sp-100, Peptide from Histone H3, ZINC ION
著者Li, H, Zhang, X.
登録日2015-12-13
公開日2016-05-04
最終更新日2016-06-22
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Multifaceted Histone H3 Methylation and Phosphorylation Readout by the Plant Homeodomain Finger of Human Nuclear Antigen Sp100C
J.Biol.Chem., 291, 2016
5GRQ
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BU of 5grq by Molmil
Crystal Structure of DHB domain of Daxx in complex with an ATRX peptide
分子名称: ACETATE ION, CHLORIDE ION, Death domain-associated protein 6, ...
著者Li, H.
登録日2016-08-12
公開日2017-09-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.584 Å)
主引用文献Crystal Structure of DHB domain of Daxx in complex with an ATRX peptide
To be published
5HU4
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BU of 5hu4 by Molmil
Cystal structure of listeria monocytogenes sortase A
分子名称: Cysteine protease
著者Li, H.
登録日2016-01-27
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition of sortase A by chalcone prevents Listeria monocytogenes infection.
Biochem. Pharmacol., 106, 2016
8IGL
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BU of 8igl by Molmil
Crystal structure of a major fragment of the ASFV inner capsid protein p150
分子名称: CP2475L
著者Li, H, Liu, Q, Xiang, Y.
登録日2023-02-20
公開日2023-05-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Insights into the Assembly of the African Swine Fever Virus Inner Capsid.
J.Virol., 97, 2023
8J09
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BU of 8j09 by Molmil
Crystal structure of protein 3745
分子名称: Cell division control protein 45, DNA replication regulator SLD3
著者Li, H, Yao, M.
登録日2023-04-10
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural and functional insights into a process of complex formation by 3745
To Be Published
8FG9
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BU of 8fg9 by Molmil
Structure of rat neuronal nitric oxide synthase 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, 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 (1.95 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
8FGI
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BU of 8fgi by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant 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, 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
8FGH
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BU of 8fgh 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-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methoxypyridin-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 (2.17 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

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件を2024-06-05に公開中

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