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PDB: 1778 件
8FGA
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BU of 8fga by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-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 (1.8947 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
8FGK
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BU of 8fgk by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(5-(2-(diethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(diethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-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 (2.25 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
8FGM
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BU of 8fgm by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-(difluoromethyl)-6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)pyridin-2-amine
分子名称: 4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-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 (2.1 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
8FGU
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BU of 8fgu by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(difluoromethyl)-6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)pyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
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 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
8FGP
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BU of 8fgp by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methoxypyridin-2-amine
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methoxypyridin-2-amine, ...
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 (1.88 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
8FGL
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BU of 8fgl by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(2,3-difluoro-5-(2-(4-methylpiperazin-1-yl)ethyl)phenethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-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 (2.1 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
3TYO
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BU of 3tyo by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((furan-2-ylmethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{2-[(furan-2-ylmethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-09-26
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.927 Å)
主引用文献Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012
3NVI
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BU of 3nvi by Molmil
Structure of N-terminal truncated Nop56/58 bound with L7Ae and box C/D RNA
分子名称: 50S ribosomal protein L7Ae, NOP5/NOP56 related protein, RNA (5'-R(*CP*UP*CP*UP*GP*AP*CP*CP*GP*AP*AP*AP*GP*GP*CP*GP*UP*GP*AP*UP*GP*AP*GP*C)-3')
著者Li, H, Xue, S, Wang, R.
登録日2010-07-08
公開日2011-07-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.709 Å)
主引用文献Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle.
Mol.Cell, 39, 2010
3TYM
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BU of 3tym by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((2-methoxybenzyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-09-26
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012
3SVQ
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BU of 3svq by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2,3-difluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-07-12
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.
J.Med.Chem., 54, 2011
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
5XQ1
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BU of 5xq1 by Molmil
Structural basis of kindlin-mediated integrin recognition and activation
分子名称: Fermitin family homolog 2,Integrin beta-3
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 (2.954 Å)
主引用文献Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3SVP
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BU of 3svp by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(3-chloro-5-fluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-07-12
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.
J.Med.Chem., 54, 2011
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
3D1B
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BU of 3d1b by Molmil
Tetragonal crystal structure of Tas3 C-terminal alpha motif
分子名称: RNA-induced transcriptional silencing complex protein tas3
著者Li, H, Patel, D.J.
登録日2008-05-05
公開日2009-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An alpha motif at Tas3 C terminus mediates RITS cis spreading and promotes heterochromatic gene silencing.
Mol.Cell, 34, 2009
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
3TYL
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BU of 3tyl by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((2-fluorobenzyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3S,4S)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2011-09-26
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 20, 2012
4EUX
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BU of 4eux by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)oxy)pentyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2012-04-25
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.14 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
3QLN
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BU of 3qln by Molmil
Crystal structure of ATRX ADD domain in free state
分子名称: Transcriptional regulator ATRX, ZINC ION
著者Li, H, Patel, D.J.
登録日2011-02-03
公開日2011-06-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献ATRX ADD domain links an atypical histone methylation recognition mechanism to human mental-retardation syndrome
Nat.Struct.Mol.Biol., 18, 2011
2HAI
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BU of 2hai by Molmil
Crystal structure of HCV NS5B RNA polymerase in complex with novel class of dihydropyrone-containing inhibitor.
分子名称: (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE, HEPATITIS C VIRUS NS5B RNA POLYMERASE
著者Li, H, Love, R.L.
登録日2006-06-12
公開日2006-09-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
3E9C
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BU of 3e9c by Molmil
Structure of a tryptic core fragment of TIGAR from Danio rerio
分子名称: POTASSIUM ION, Zgc:56074
著者Li, H, Jogl, G.
登録日2008-08-21
公開日2008-12-16
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献TIGAR (TP53 induced glycolysis and apoptosis regulator) is a fructose-2,6- and fructose-1,6-bisphosphatase
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