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8H7O
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BU of 8h7o by Molmil
Crystal structure of aqualigase
分子名称: CALCIUM ION, ISOPROPYL ALCOHOL, Subtilisin
著者Li, H, Ma, M.Z, Zhang, L.J, Dai, L, Chen, C.-C, Guo, R.-T.
登録日2022-10-20
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of aqualigase
To Be Published
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
8J8I
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BU of 8j8i by Molmil
Membrane-bound structure of CD3z cytoplasmic domain
分子名称: T-cell surface glycoprotein CD3 zeta chain
著者Li, H, Xu, C.
登録日2023-05-01
公開日2024-05-01
実験手法SOLUTION NMR
主引用文献Membrane-bound structure of CD3z cytoplasmic domain
To Be Published
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
7DLB
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BU of 7dlb by Molmil
Crassostrea gigas ferritin mutant-D119K
分子名称: FE (III) ION, Ferritin
著者Li, H, Zang, J, Wang, Z, Du, M.
登録日2020-11-26
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Crassostrea gigas ferritin mutant-D119K
To Be Published
7F7M
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BU of 7f7m by Molmil
AKR4C17 in complex with NADP+ and glyphosate
分子名称: AKR4-2, GLYPHOSATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T.
登録日2021-06-30
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona
J Hazard Mater, 436, 2022
7F7L
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BU of 7f7l by Molmil
Crystal structure of AKR4C17 bound with NADPH
分子名称: AKR4-2, COBALT (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T.
登録日2021-06-30
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona
J Hazard Mater, 436, 2022
7F7K
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BU of 7f7k by Molmil
Crystal structure of AKR4C17 bound with NADP+
分子名称: AKR4-2, COBALT (II) ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T.
登録日2021-06-30
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona
J Hazard Mater, 436, 2022
7F7J
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BU of 7f7j by Molmil
The crystal structure of AKR4C17
分子名称: AKR4-2, COBALT (II) ION, SULFATE ION
著者Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T.
登録日2021-06-30
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona
J Hazard Mater, 436, 2022
7W1W
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BU of 7w1w by Molmil
NADPH-bound AKR4C17 mutant F291D
分子名称: AKR4-2, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T.
登録日2021-11-21
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona
J Hazard Mater, 436, 2022
7W1X
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BU of 7w1x by Molmil
Crystal structure of AKR4C16 bound with NADPH
分子名称: AKR4-1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T.
登録日2021-11-21
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona
J Hazard Mater, 436, 2022
7UOV
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BU of 7uov by Molmil
Native Lassa glycoprotein in complex with neutralizing antibodies 12.1F and 37.2D
分子名称: 12.1F heavy chain (variable domain), 12.1F light chain (variable domain), 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Li, H, Saphire, E.O.
登録日2022-04-14
公開日2022-11-02
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献A cocktail of protective antibodies subverts the dense glycan shield of Lassa virus.
Sci Transl Med, 14, 2022
7UOT
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BU of 7uot by Molmil
Native Lassa glycoprotein in complex with neutralizing antibodies 8.9F and 37.2D
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 37.2D heavy chain (variable domain), ...
著者Li, H, Saphire, E.O.
登録日2022-04-13
公開日2022-11-02
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献A cocktail of protective antibodies subverts the dense glycan shield of Lassa virus.
Sci Transl Med, 14, 2022
3UFU
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BU of 3ufu by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 4-methyl-6-(((3R,4R)-4-((5-(pyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)pyridin-2-amine
分子名称: 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-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2011-11-01
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.886 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFR
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BU of 3ufr by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(((E)-5-(3-fluorophenyl)pent-4-en-1-yl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[(3E)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-11-01
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFT
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BU of 3uft by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(4-(3-chloro-5-fluorophenoxy)butoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({(3R,4R)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-11-01
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.078 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFW
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BU of 3ufw by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(6-aminopyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
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2011-11-01
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFP
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BU of 3ufp by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(3-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-11-01
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFS
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BU of 3ufs by Molmil
Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(3-chloro-5-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-11-01
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
6WZW
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BU of 6wzw by Molmil
Ash1L SET domain in complex with AS-85
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase ASH1L, N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide, ...
著者Li, H, Deng, J, Cierpicki, T, Grembecka, J.
登録日2020-05-14
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity.
Nat Commun, 12, 2021
7M56
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BU of 7m56 by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 7-((3-(3-aminophenethyl)phenoxy)methyl)quinolin-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-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2021-03-22
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.957 Å)
主引用文献Inhibition of bacterial nitric oxide synthase as an antimicrobial tool in fighting some antibiotic-resistant pathogens
To be published
4V3Z
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BU of 4v3z by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(2-(3- fluorophenyl)cyclopropylmethyl)ethan-1-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine, ...
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 (2.052 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
4V3W
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BU of 4v3w by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine
分子名称: 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine, 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2024-05-08
実験手法X-RAY DIFFRACTION (2.13 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
5VUS
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BU of 5vus by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-chlorobenzonitrile
分子名称: 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile, 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 (1.95 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
5VV3
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BU of 5vv3 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)benzonitrile
分子名称: 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
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 (2.18 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

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件を2024-08-21に公開中

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