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PDB: 1804 件
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
5XQ0
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BU of 5xq0 by Molmil
Structural basis of kindlin-mediated integrin recognition and activation
分子名称: Fermitin family homolog 2,Integrin beta-1, GLYCEROL
著者Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z.
登録日2017-06-05
公開日2017-07-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
7TSM
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BU of 7tsm by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl)pyridin-2-amine bishydrochloride
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS8
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BU of 7ts8 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-chloro-6-((5-(2-(dimethylamino)ethyl)-2,3-difluorophenyl)ethynyl)pyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSF
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BU of 7tsf by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.776 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSI
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BU of 7tsi by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-((methylamino)methyl)phenyl)pyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSN
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BU of 7tsn by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSG
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BU of 7tsg by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-(dimethylamino)propyl)-4-methylpyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSO
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BU of 7tso by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)propyl)-4-methylpyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS3
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BU of 7ts3 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
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
5XPZ
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BU of 5xpz by Molmil
Structural basis of kindlin-mediated integrin recognition and activation
分子名称: Fermitin family homolog 2, GLYCEROL
著者Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z.
登録日2017-06-05
公開日2017-07-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7VQ6
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BU of 7vq6 by Molmil
Structure of a specialized glyoxalase from Gossypium hirsutum
分子名称: Lactoylglutathione lyase, NICKEL (II) ION
著者Li, H, Hu, Y.M, Dai, L.H, Chen, C.C, Huang, J.W, Liu, W.D, Guo, R.T.
登録日2021-10-19
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Crystal structure and biochemical analysis of the specialized deoxynivalenol-detoxifying glyoxalase SPG from Gossypium hirsutum.
Int.J.Biol.Macromol., 200, 2022
7US8
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BU of 7us8 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(4-(dimethylamino)butyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[4-(dimethylamino)butyl]-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-04-23
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7UAM
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BU of 7uam by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (6-(3-(4,4-difluoropiperidin-1-yl)propyl)-4-methylpyridin-2-amine)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-03-13
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.837 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7UAO
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BU of 7uao by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with (6-(3-(4,4-difluoropiperidin-1-yl)propyl)-4-methylpyridin-2-amine)
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2022-03-13
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7US7
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BU of 7us7 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(4-(dimethylamino)but-1-yn-1-yl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[4-(dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-04-23
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSK
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BU of 7tsk by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(methylamino)prop-1-yn-1-yl)pyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSL
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BU of 7tsl by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-methyl-6-(3-(4-methylpiperazin-1-yl)propyl)pyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS4
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BU of 7ts4 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl)pyridin-2-amine
分子名称: 4-methyl-6-[3-(4-methylpiperazin-1-yl)prop-1-yn-1-yl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS7
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BU of 7ts7 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-(methylamino)propyl)pyridin-2-amine
分子名称: 4-methyl-6-[3-(methylamino)propyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TSP
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BU of 7tsp by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS2
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BU of 7ts2 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)propyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9758 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022
7TS6
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BU of 7ts6 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-6-(3-((methylamino)methyl)phenyl)pyridin-2-amine
分子名称: 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2022-01-31
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献2-Aminopyridines with a shortened amino sidechain as potent, selective, and highly permeable human neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem., 69, 2022

226707

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