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PDB: 84 件
6XTP
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BU of 6xtp by Molmil
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Cu:S:O2-1a complex
分子名称: ABZ-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY, CALCIUM ION, COPPER (I) ION, ...
著者Leisinger, F, Seebeck, F.P.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Non-Coordinative Binding of O2 at the Active Center of a Copper-Dependent Enzyme
Angew.Chem.Int.Ed.Engl., 2020
3E63
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BU of 3e63 by Molmil
Fragment based discovery of JAK-2 inhibitors
分子名称: 5-phenyl-1H-indazol-3-amine, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E62
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BU of 3e62 by Molmil
Fragment based discovery of JAK-2 inhibitors
分子名称: 5-bromo-1H-indazol-3-amine, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2012-02-08
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
6XTO
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BU of 6xto by Molmil
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Cu:S:NO complex
分子名称: ABZ-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY, CALCIUM ION, COPPER (I) ION, ...
著者Leisinger, F, Seebeck, F.P.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Non-Coordinative Binding of O2 at the Active Center of a Copper-Dependent Enzyme
Angew.Chem.Int.Ed.Engl., 2020
6XTM
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BU of 6xtm by Molmil
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Ag:S:O2 complex
分子名称: Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY, CALCIUM ION, CHLORIDE ION, ...
著者Leisinger, F, Seebeck, F.P.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Non-Coordinative Binding of O2 at the Active Center of a Copper-Dependent Enzyme
Angew.Chem.Int.Ed.Engl., 2020
6XTN
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BU of 6xtn by Molmil
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Ag:S:NO complex
分子名称: 1,2-ETHANEDIOL, Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY, CALCIUM ION, ...
著者Leisinger, F, Seebeck, F.P.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Non-Coordinative Binding of O2 at the Active Center of a Copper-Dependent Enzyme
Angew.Chem.Int.Ed.Engl., 2020
6XTL
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BU of 6xtl by Molmil
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Ag:S complex
分子名称: 1,2-ETHANEDIOL, Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY, CALCIUM ION, ...
著者Leisinger, F, Seebeck, F.P.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Non-Coordinative Binding of O2 at the Active Center of a Copper-Dependent Enzyme
Angew.Chem.Int.Ed.Engl., 2020
6XTR
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BU of 6xtr by Molmil
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Cu:S:O2-1c complex
分子名称: ABZ-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY, CALCIUM ION, CHLORIDE ION, ...
著者Leisinger, F, Seebeck, F.P.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Non-Coordinative Binding of O2 at the Active Center of a Copper-Dependent Enzyme
Angew.Chem.Int.Ed.Engl., 2020
6XTS
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BU of 6xts by Molmil
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Cu:S:O2-1d complex
分子名称: ABZ-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY, CALCIUM ION, CHLORIDE ION, ...
著者Leisinger, F, Seebeck, F.P.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Non-Coordinative Binding of O2 at the Active Center of a Copper-Dependent Enzyme
Angew.Chem.Int.Ed.Engl., 2020
6XTQ
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BU of 6xtq by Molmil
Crystal structure reveals non-coordinative binding of O2 to the copper center of the formylglycine-generating enzyme - FGE:Cu:S:O2-1b complex
分子名称: ABZ-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY, CALCIUM ION, CHLORIDE ION, ...
著者Leisinger, F, Seebeck, F.P.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Non-Coordinative Binding of O2 at the Active Center of a Copper-Dependent Enzyme
Angew.Chem.Int.Ed.Engl., 2020
5NYY
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BU of 5nyy by Molmil
Formylglycine generating enzyme from T. curvata in complex with Cd(II)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
著者Meury, M, Knop, M, Seebeck, F.P.
登録日2017-05-12
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structural Basis for Copper-Oxygen Mediated C-H Bond Activation by the Formylglycine-Generating Enzyme.
Angew. Chem. Int. Ed. Engl., 56, 2017
3E64
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BU of 3e64 by Molmil
Fragment based discovery of JAK-2 inhibitors
分子名称: 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2
著者Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F.
登録日2008-08-14
公開日2008-10-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
6S7Q
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BU of 6s7q by Molmil
Crystal structure of ergothioneine degrading enzyme Ergothionase from Treponema denticola in complex with desmethyl-ergothioneine sulfonic acid
分子名称: (2~{S})-2-(dimethylamino)-3-(2-sulfo-1~{H}-imidazol-4-yl)propanoic acid, ergothionase
著者Leisinger, F, Seebeck, F.P.
登録日2019-07-05
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and Mechanism of Ergothionase from Treponema denticola.
Chemistry, 25, 2019
6S07
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BU of 6s07 by Molmil
Structure of formylglycine-generating enzyme at 1.04 A in complex with copper and substrate reveals an acidic pocket for binding and acti-vation of molecular oxygen.
分子名称: Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY-ARG, CALCIUM ION, CHLORIDE ION, ...
著者Leisinger, F, Miarzlou, D.A, Seebeck, F.P.
登録日2019-06-14
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Structure of formylglycine-generating enzyme in complex with copper and a substrate reveals an acidic pocket for binding and activation of molecular oxygen.
Chem Sci, 10, 2019
6S7J
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BU of 6s7j by Molmil
Native crystal structure of ergothioneine degrading enzyme Ergothionase from Treponema denticola
分子名称: Uncharacterized protein
著者Leisinger, F, Seebeck, F.P.
登録日2019-07-05
公開日2019-07-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Mechanism of Ergothionase from Treponema denticola.
Chemistry, 25, 2019
5NXL
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BU of 5nxl by Molmil
Formylglycine generating enzyme from T. curvata in complex with Ag(I)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Meury, M, Knop, M, Seebeck, F.P.
登録日2017-05-10
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural Basis for Copper-Oxygen Mediated C-H Bond Activation by the Formylglycine-Generating Enzyme.
Angew. Chem. Int. Ed. Engl., 56, 2017
4ZFK
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BU of 4zfk by Molmil
Ergothioneine-biosynthetic Ntn hydrolase EgtC with glutamine
分子名称: 1,2-ETHANEDIOL, Amidohydrolase EgtC, GLUTAMINE
著者Vit, A, Seebeck, F.P, Blankenfeldt, W.
登録日2015-04-21
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
4ZFJ
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BU of 4zfj by Molmil
Ergothioneine-biosynthetic Ntn hydrolase EgtC, apo form
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Amidohydrolase EgtC
著者Vit, A, Seebeck, F.P, Blankenfeldt, W.
登録日2015-04-21
公開日2015-07-01
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
6FNR
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BU of 6fnr by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with chlorohistidine
分子名称: (2~{S})-2-chloranyl-3-(1~{H}-imidazol-5-yl)propanoic acid, GLYCEROL, Histidine N-alpha-methyltransferase, ...
著者Vit, A, Blankenfeldt, W, Seebeck, F.P.
登録日2018-02-05
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
6FNS
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BU of 6fns by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with morpholinohistidine
分子名称: GLYCEROL, Histidine N-alpha-methyltransferase, Morpholinohistidine
著者Vit, A, Blankenfeldt, W, Seebeck, F.P.
登録日2018-02-05
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
6FNT
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BU of 6fnt by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with pyrrolidinohistidine
分子名称: Histidine N-alpha-methyltransferase, Pyrrolidinohistidine
著者Vit, A, Blankenfeldt, W, Seebeck, F.P.
登録日2018-02-05
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
4ZFL
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BU of 4zfl by Molmil
Ergothioneine-biosynthetic Ntn hydrolase variant EgtC_C2A with natural substrate
分子名称: (1S)-1-carboxy-4-({(1R)-1-carboxy-2-[(S)-{4-[(2S)-2-carboxy-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl]ethyl}amino)-4-oxobutan-1-aminium, Amidohydrolase EgtC, GLYCEROL
著者Vit, A, Seebeck, F.P, Blankenfeldt, W.
登録日2015-04-21
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015
8QFQ
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BU of 8qfq by Molmil
Ergothioneine dioxygenase, variant H147A, from Thermocatellispora tengchongensis in complex with manganese
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Cysteine dioxygenase, ...
著者Vasseur, C.M, Seebeck, F.P.
登録日2023-09-04
公開日2023-12-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QFP
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BU of 8qfp by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese and in presence of catalase anaerobic
分子名称: CHLORIDE ION, Cysteine dioxygenase, MAGNESIUM ION, ...
著者Vasseur, C.M, Seebeck, F.P.
登録日2023-09-04
公開日2023-12-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QFL
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BU of 8qfl by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with iron
分子名称: ACETATE ION, Cysteine dioxygenase, FE (III) ION, ...
著者Vasseur, C.M, Seebeck, F.P.
登録日2023-09-04
公開日2023-12-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024

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