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PDB: 1642 件
4D7O
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BU of 4d7o by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(4-(((3-Fluorophenethyl)amino)methyl)phenyl)-4- methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-11-25
公開日2015-07-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Nitric Oxide Synthase as a Target for Methicillin-Resistant Staphylococcus Aureus
Chem.Biol., 22, 2015
4D31
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BU of 4d31 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-cyanobenzyl) ethan-1-amine
分子名称: 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile, 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 (1.951 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
4CTX
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BU of 4ctx by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl) ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-03-15
公開日2014-05-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
4CTW
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BU of 4ctw by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl) ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine
分子名称: (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-03-15
公開日2014-05-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
4D32
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BU of 4d32 by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-(3-fluorophenyl)-N-2-(2-(5-methyl-1H-imidazol-1-yl) pyrimidin-4-yl)ethylpropan-1-amine
分子名称: 3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine, 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 (2.103 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
4CTR
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BU of 4ctr by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(6-Amino-4-methylpyridin-2-yl)-1-(3-(2-(6-amino-4- methylpyridin-2-yl)ethyl )phenyl)ethan-1-ol
分子名称: (1S)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-03-15
公開日2014-05-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
4CTQ
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BU of 4ctq by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl) ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
分子名称: (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-03-15
公開日2014-05-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
4CTP
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BU of 4ctp by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl) ethyl)phenyl)ethyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[(2S)-2-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2014-03-15
公開日2014-05-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Nitric Oxide Synthase Inhibitors that Interact with Both a Heme Propionate and Tetrahydrobiopterin Show High Isoform Selectivity.
J.Med.Chem., 57, 2014
7L1E
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BU of 7l1e by Molmil
The Crystal Structure of Bromide-Bound GtACR1
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Anion channelrhodopsin-1, BROMIDE ION, ...
著者Li, H, Huang, C.Y, Wang, M, Spudich, J.L, Zheng, L.
登録日2020-12-14
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The crystal structure of bromide-bound Gt ACR1 reveals a pre-activated state in the transmembrane anion tunnel.
Elife, 10, 2021
4FVW
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BU of 4fvw by Molmil
Structure of rat nNOS heme domain in complex with N(omega)-methoxy-L-arginine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2012-06-29
公開日2013-05-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Methylated N(omega)-Hydroxy-l-arginine Analogues as Mechanistic Probes for the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction
Biochemistry, 52, 2013
4FW0
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BU of 4fw0 by Molmil
Structure of rat nNOS heme domain in complex with N(delta)-methyl- N(omega)-hydroxy-L-arginine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
著者Li, H, Poulos, T.L.
登録日2012-06-29
公開日2013-05-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Methylated N(omega)-Hydroxy-l-arginine Analogues as Mechanistic Probes for the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction
Biochemistry, 52, 2013
4G3T
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BU of 4g3t by Molmil
Mycobacterium smegmatis DprE1 - hexagonal crystal form
分子名称: oxidoreductase DprE1
著者Li, H, Jogl, G.
登録日2012-07-15
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.346 Å)
主引用文献Crystal structure of decaprenylphosphoryl-beta- D-ribose 2'-epimerase from Mycobacterium smegmatis.
Proteins, 81, 2013
8JI7
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BU of 8ji7 by Molmil
Crystal structure of AetD in complex with L-tryptophan and two Fe2+
分子名称: AetD, FE (II) ION, NICKEL (II) ION, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI5
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BU of 8ji5 by Molmil
Crystal structure of AetD in complex with 5-bromo-L-tryptophan and two Fe2+
分子名称: 5-bromo-L-tryptophan, AetD, FE (II) ION, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI6
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BU of 8ji6 by Molmil
Crystal structure of AetD in complex with L-tryptophan
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, FE (II) ION, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI2
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BU of 8ji2 by Molmil
Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan
分子名称: (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI3
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BU of 8ji3 by Molmil
Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan and two Fe2+
分子名称: (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, AetD, FE (II) ION, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
8JI4
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BU of 8ji4 by Molmil
Crystal structure of AetD in complex with 5-bromo-L-tryptophan
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-bromo-L-tryptophan, AetD, ...
著者Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T.
登録日2023-05-26
公開日2023-11-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The structural and functional investigation into an unusual nitrile synthase.
Nat Commun, 14, 2023
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2024-06-05
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
8JZ5
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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
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
7UQY
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BU of 7uqy by Molmil
Cryo-EM structure of the human Exostosin-1 and Exostosin-2 heterodimer in complex with UDP-GlcA
分子名称: Exostosin-1, Exostosin-2, URIDINE-5'-DIPHOSPHATE, ...
著者Li, H, Li, H.
登録日2022-04-20
公開日2022-09-28
最終更新日2023-05-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for heparan sulfate co-polymerase action by the EXT1-2 complex.
Nat.Chem.Biol., 19, 2023
7UQX
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BU of 7uqx by Molmil
Cryo-EM structure of the human Exostosin-1 and Exostosin-2 heterodimer in complex with UDP-GlcNAc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-1, Exostosin-2, ...
著者Li, H, Li, H.
登録日2022-04-20
公開日2022-09-28
最終更新日2023-05-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for heparan sulfate co-polymerase action by the EXT1-2 complex.
Nat.Chem.Biol., 19, 2023
8UFT
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BU of 8uft by Molmil
Structure of human endothelial nitric oxide synthase P370N mutant heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine
分子名称: (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Li, H, Poulos, T.L.
登録日2023-10-04
公開日2024-03-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024

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件を2024-06-05に公開中

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