5UNU
 
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 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
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5UO7
 | | 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 | | Descriptor: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | 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
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4JSI
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((3-(((3-fluorophenethyl)amino)methyl)phenoxy)methyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2013-03-22 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
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4JSJ
 | | 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 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2013-03-22 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
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4K5I
 | | 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 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2013-04-14 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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5XFR
 | | Ternary complex of MTF2, DNA and histone | | Descriptor: | 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, ... | | Authors: | Wang, Z, Li, H. | | Deposit date: | 2017-04-11 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
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5XFP
 | | Binary complex of PHF1 and a double stranded DNA | | Descriptor: | 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, ... | | Authors: | Wang, Z, Li, H. | | Deposit date: | 2017-04-11 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
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4K5E
 | | 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 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2013-04-14 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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4LUX
 | | 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 | | Descriptor: | 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, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2013-07-25 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110, 2013
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7W29
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6AVO
 | | Cryo-EM structure of human immunoproteasome with a novel noncompetitive inhibitor that selectively inhibits activated lymphocytes | | Descriptor: | 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, ... | | Authors: | Li, H, Santos, R, Bai, L. | | Deposit date: | 2017-09-04 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of human immunoproteasome with a reversible and noncompetitive inhibitor that selectively inhibits activated lymphocytes.
Nat Commun, 8, 2017
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7W28
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8JZ4
 | | Crystal structure of AetF in complex with FAD and 5-bromo-L-tryptophan | | Descriptor: | 5-bromo-L-tryptophan, AetF, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Li, H, Dai, L, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-07-04 | | Release date: | 2024-01-17 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural and functional insights into the self-sufficient flavin-dependent halogenase.
Int.J.Biol.Macromol., 260, 2024
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8JZ2
 | | Crystal structure of AetF in complex with FAD | | Descriptor: | AetF, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Li, H, Dai, L, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-07-04 | | Release date: | 2024-01-17 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and functional insights into the self-sufficient flavin-dependent halogenase.
Int.J.Biol.Macromol., 260, 2024
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8JZ5
 | | Crystal structure of AetF in complex with FAD and NADP+ at 1.86 angstrom | | Descriptor: | AetF, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, H, Dai, L, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-07-04 | | Release date: | 2024-01-17 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural and functional insights into the self-sufficient flavin-dependent halogenase.
Int.J.Biol.Macromol., 260, 2024
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8JZ3
 | | Crystal structure of AetF in complex with FAD and L-tryptophan | | Descriptor: | AetF, FLAVIN-ADENINE DINUCLEOTIDE, TRYPTOPHAN | | Authors: | Li, H, Dai, L, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-07-04 | | Release date: | 2024-01-17 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional insights into the self-sufficient flavin-dependent halogenase.
Int.J.Biol.Macromol., 260, 2024
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7DV4
 | | Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4 | | Descriptor: | 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4 | | Authors: | Li, H, Gan, X, He, Y. | | Deposit date: | 2021-01-12 | | Release date: | 2022-01-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | 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
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7D86
 | | Crystal Structure of zebrafishPHF14-PZP | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHD finger protein 14, ... | | Authors: | Li, H, Zheng, S. | | Deposit date: | 2020-10-07 | | Release date: | 2021-07-28 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Molecular basis for bipartite recognition of histone H3 by the PZP domain of PHF14.
Nucleic Acids Res., 49, 2021
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7D8A
 | | Crystal Structure of H3(1-13)/PHF14-PZP fusion protein | | Descriptor: | CALCIUM ION, Gene for histone H3 (germline gene), PHD finger protein 14, ... | | Authors: | Li, H, Zheng, S. | | Deposit date: | 2020-10-07 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for bipartite recognition of histone H3 by the PZP domain of PHF14.
Nucleic Acids Res., 49, 2021
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7D87
 | | Crystal Structure of zebrafish PHF14-PZP in complex with H3(1-25) | | Descriptor: | CALCIUM ION, Gene for histone H3 (germline gene), PHD finger protein 14, ... | | Authors: | Li, H, Zheng, S. | | Deposit date: | 2020-10-07 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Molecular basis for bipartite recognition of histone H3 by the PZP domain of PHF14.
Nucleic Acids Res., 49, 2021
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7DZE
 | | Fabp ground state captured by XFELs | | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | | Deposit date: | 2021-01-25 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 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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7DZH
 | | intermediate of FABP with a delay time of 100 ns | | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | | Deposit date: | 2021-01-25 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 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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7DZF
 | | Intermediate of FABP with a delay time of 10 ns | | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | | Deposit date: | 2021-01-25 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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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7DZG
 | | Intermediate of FABP with a delay time of 30 ns | | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | | Deposit date: | 2021-01-25 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 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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7DZI
 | | intermediate of FABP with a delay time of 300 ns | | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | | Deposit date: | 2021-01-25 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 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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