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5UNU
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BU of 5unu by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile
分子名称: 3-[(2-amino-4-methylquinolin-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 (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
5UO7
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BU of 5uo7 by Molmil
Structure of human neuronal nitric oxide synthase heme domain in complex with (S)-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-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
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 (2.06 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
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
4JSJ
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BU of 4jsj by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((5-(((3-fluorophenethyl)amino)methyl)pyridin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}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 (1.92 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
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
5XFR
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BU of 5xfr by Molmil
Ternary complex of MTF2, DNA and histone
分子名称: DNA (5'-D(*GP*GP*GP*CP*GP*GP*CP*CP*GP*CP*CP*CP*T)-3'), Metal-response element-binding transcription factor 2, Peptide from Histone H3.1, ...
著者Wang, Z, Li, H.
登録日2017-04-11
公開日2017-09-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
5XFP
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BU of 5xfp by Molmil
Binary complex of PHF1 and a double stranded DNA
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*GP*GP*GP*CP*GP*GP*CP*CP*GP*CP*CP*CP*T)-3'), PHD finger protein 1, ...
著者Wang, Z, Li, H.
登録日2017-04-11
公開日2017-09-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
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
4LUX
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BU of 4lux by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((((3R,5S)-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-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-07-25
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110, 2013
7W29
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BU of 7w29 by Molmil
Crystal Structure of SETD3-SAH in complex with betaA-Orn73 peptide
分子名称: Actin, cytoplasmic 1, N-terminally processed, ...
著者Li, H, Ma, H.
登録日2021-11-23
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Histidine methyltransferase SETD3 methylates structurally diverse histidine mimics in actin.
Protein Sci., 31, 2022
6AVO
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BU of 6avo by Molmil
Cryo-EM structure of human immunoproteasome with a novel noncompetitive inhibitor that selectively inhibits activated lymphocytes
分子名称: N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
著者Li, H, Santos, R, Bai, L.
登録日2017-09-04
公開日2017-12-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of human immunoproteasome with a reversible and noncompetitive inhibitor that selectively inhibits activated lymphocytes.
Nat Commun, 8, 2017
7W28
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BU of 7w28 by Molmil
Crystal Structure of SETD3-SAH in complex with betaA-4PyrAla73 peptide
分子名称: Actin, cytoplasmic 1, Histone-lysine N-methyltransferase setd3, ...
著者Li, H, Ma, H.
登録日2021-11-22
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Histidine methyltransferase SETD3 methylates structurally diverse histidine mimics in actin.
Protein Sci., 31, 2022
8JZ4
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BU of 8jz4 by Molmil
Crystal structure of AetF in complex with FAD and 5-bromo-L-tryptophan
分子名称: 5-bromo-L-tryptophan, AetF, FLAVIN-ADENINE DINUCLEOTIDE
著者Li, H, Dai, L, Chen, C.-C, Guo, R.-T.
登録日2023-07-04
公開日2024-01-17
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural and functional insights into the self-sufficient flavin-dependent halogenase.
Int.J.Biol.Macromol., 260, 2024
8JZ2
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BU of 8jz2 by Molmil
Crystal structure of AetF in complex with FAD
分子名称: AetF, FLAVIN-ADENINE DINUCLEOTIDE
著者Li, H, Dai, L, Chen, C.-C, Guo, R.-T.
登録日2023-07-04
公開日2024-01-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and functional insights into the self-sufficient flavin-dependent halogenase.
Int.J.Biol.Macromol., 260, 2024
8JZ5
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BU of 8jz5 by Molmil
Crystal structure of AetF in complex with FAD and NADP+ at 1.86 angstrom
分子名称: AetF, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, H, Dai, L, Chen, C.-C, Guo, R.-T.
登録日2023-07-04
公開日2024-01-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and functional insights into the self-sufficient flavin-dependent halogenase.
Int.J.Biol.Macromol., 260, 2024
8JZ3
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BU of 8jz3 by Molmil
Crystal structure of AetF in complex with FAD and L-tryptophan
分子名称: AetF, FLAVIN-ADENINE DINUCLEOTIDE, TRYPTOPHAN
著者Li, H, Dai, L, Chen, C.-C, Guo, R.-T.
登録日2023-07-04
公開日2024-01-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional insights into the self-sufficient flavin-dependent halogenase.
Int.J.Biol.Macromol., 260, 2024
7DV4
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BU of 7dv4 by Molmil
Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4
分子名称: 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4
著者Li, H, Gan, X, He, Y.
登録日2021-01-12
公開日2022-01-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献An anti-CTLA-4 heavy chain-only antibody with enhanced T reg depletion shows excellent preclinical efficacy and safety profile.
Proc.Natl.Acad.Sci.USA, 119, 2022
7D86
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BU of 7d86 by Molmil
Crystal Structure of zebrafishPHF14-PZP
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHD finger protein 14, ...
著者Li, H, Zheng, S.
登録日2020-10-07
公開日2021-07-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Molecular basis for bipartite recognition of histone H3 by the PZP domain of PHF14.
Nucleic Acids Res., 49, 2021
7D8A
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BU of 7d8a by Molmil
Crystal Structure of H3(1-13)/PHF14-PZP fusion protein
分子名称: CALCIUM ION, Gene for histone H3 (germline gene), PHD finger protein 14, ...
著者Li, H, Zheng, S.
登録日2020-10-07
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for bipartite recognition of histone H3 by the PZP domain of PHF14.
Nucleic Acids Res., 49, 2021
7D87
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BU of 7d87 by Molmil
Crystal Structure of zebrafish PHF14-PZP in complex with H3(1-25)
分子名称: CALCIUM ION, Gene for histone H3 (germline gene), PHD finger protein 14, ...
著者Li, H, Zheng, S.
登録日2020-10-07
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Molecular basis for bipartite recognition of histone H3 by the PZP domain of PHF14.
Nucleic Acids Res., 49, 2021
7DZE
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BU of 7dze by Molmil
Fabp ground state captured by XFELs
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZH
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BU of 7dzh by Molmil
intermediate of FABP with a delay time of 100 ns
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZF
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BU of 7dzf by Molmil
Intermediate of FABP with a delay time of 10 ns
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZG
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BU of 7dzg by Molmil
Intermediate of FABP with a delay time of 30 ns
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022
7DZI
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BU of 7dzi by Molmil
intermediate of FABP with a delay time of 300 ns
分子名称: Fatty acid-binding protein, liver, PALMITIC ACID
著者Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J.
登録日2021-01-25
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser.
Nat.Chem., 14, 2022

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件を2024-08-07に公開中

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