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PDB: 86 results

4PIP
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BU of 4pip by Molmil
Engineered EgtD variant EgtD-M252V,E282A in complex with tryptophan and SAH
Descriptor: CHLORIDE ION, Histidine-specific methyltransferase EgtD, MAGNESIUM ION, ...
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2014-05-09
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis.
Chembiochem, 16, 2015
4PIM
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BU of 4pim by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD, apo form
Descriptor: ACETATE ION, Histidine-specific methyltransferase EgtD
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2014-05-09
Release date:2014-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis.
Chembiochem, 16, 2015
4PIO
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BU of 4pio by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N-dimethylhistidine and SAH
Descriptor: CHLORIDE ION, Histidine-specific methyltransferase EgtD, MAGNESIUM ION, ...
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2014-05-09
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.506 Å)
Cite:Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis.
Chembiochem, 16, 2015
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
Descriptor: Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY, CALCIUM ION, CHLORIDE ION, ...
Authors:Leisinger, F, Seebeck, F.P.
Deposit date:2020-01-16
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Non-Coordinative Binding of O2 at the Active Center of a Copper-Dependent Enzyme
Angew.Chem.Int.Ed.Engl., 2020
6QKI
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BU of 6qki by Molmil
Native structure of EgtB from Chloracidobacterium thermophilum, a type II sulfoxide synthase
Descriptor: FE (III) ION, Uncharacterized protein
Authors:Stampfli, A.R, Badri, B.N, Schirmer, T, Seebeck, F.P.
Deposit date:2019-01-29
Release date:2019-03-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:An Alternative Active Site Architecture for O2Activation in the Ergothioneine Biosynthetic EgtB from Chloracidobacterium thermophilum.
J.Am.Chem.Soc., 141, 2019
6QKJ
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BU of 6qkj by Molmil
EgtB from Chloracidobacterium thermophilum, a type II sulfoxide synthase in complex with N,N,N-trimethyl-histidine
Descriptor: CHLORIDE ION, FE (III) ION, IMIDAZOLE, ...
Authors:Stampfli, A.R, Badri, B.N, Schirmer, T, Seebeck, F.P.
Deposit date:2019-01-29
Release date:2019-03-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Alternative Active Site Architecture for O2Activation in the Ergothioneine Biosynthetic EgtB from Chloracidobacterium thermophilum.
J.Am.Chem.Soc., 141, 2019
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
Descriptor: (2~{S})-2-(dimethylamino)-3-(2-sulfo-1~{H}-imidazol-4-yl)propanoic acid, ergothionase
Authors:Leisinger, F, Seebeck, F.P.
Deposit date:2019-07-05
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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.
Descriptor: Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY-ARG, CALCIUM ION, CHLORIDE ION, ...
Authors:Leisinger, F, Miarzlou, D.A, Seebeck, F.P.
Deposit date:2019-06-14
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite: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
Descriptor: Uncharacterized protein
Authors:Leisinger, F, Seebeck, F.P.
Deposit date:2019-07-05
Release date:2019-07-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Mechanism of Ergothionase from Treponema denticola.
Chemistry, 25, 2019
4ZFL
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BU of 4zfl by Molmil
Ergothioneine-biosynthetic Ntn hydrolase variant EgtC_C2A with natural substrate
Descriptor: (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
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2015-04-21
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Amidohydrolase EgtC
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2015-04-21
Release date:2015-07-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cysteine dioxygenase, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
3E64
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BU of 3e64 by Molmil
Fragment based discovery of JAK-2 inhibitors
Descriptor: 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2
Authors: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.
Deposit date:2008-08-14
Release date:2008-10-14
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
8QFM
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BU of 8qfm by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese
Descriptor: 1,2-ETHANEDIOL, Cysteine dioxygenase, DI(HYDROXYETHYL)ETHER, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: CHLORIDE ION, Cysteine dioxygenase, MAGNESIUM ION, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: ACETATE ION, Cysteine dioxygenase, FE (III) ION, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QFN
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BU of 8qfn by Molmil
Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with manganese and in presence of catalase aerobic
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cysteine dioxygenase, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
8QFO
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BU of 8qfo by Molmil
Ergothioneine dioxygenase, variant Y149F, from Thermocatellispora tengchongensis in complex with manganese
Descriptor: ACETATE ION, Cysteine dioxygenase, DI(HYDROXYETHYL)ETHER, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-09-04
Release date:2023-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Enzyme-Catalyzed Oxidative Degradation of Ergothioneine.
Angew.Chem.Int.Ed.Engl., 63, 2024
8Q9V
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BU of 8q9v by Molmil
S-methylthiourocanate hydratase from Variovorax sp. RA8 in complex with NAD+ and imidazolone propionate
Descriptor: 1,2-ETHANEDIOL, 3-[(4~{R})-5-oxidanylidene-1,4-dihydroimidazol-4-yl]propanoic acid, ACETIC ACID, ...
Authors:Vasseur, C.M, Seebeck, F.P.
Deposit date:2023-08-21
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Substrate Specificity of S -Methyl Thiourocanate Hydratase.
Acs Chem.Biol., 19, 2024
3E63
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BU of 3e63 by Molmil
Fragment based discovery of JAK-2 inhibitors
Descriptor: 5-phenyl-1H-indazol-3-amine, Tyrosine-protein kinase JAK2
Authors: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.
Deposit date:2008-08-14
Release date:2008-10-14
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 5-bromo-1H-indazol-3-amine, Tyrosine-protein kinase JAK2
Authors: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.
Deposit date:2008-08-14
Release date:2008-10-14
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4X8B
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BU of 4x8b by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB, apo form
Descriptor: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
4X8D
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BU of 4x8d by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N-dimethyl-histidine and gamma-glutamyl-cysteine
Descriptor: CALCIUM ION, CHLORIDE ION, GAMMA-GLUTAMYLCYSTEINE, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
4X8E
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BU of 4x8e by Molmil
Ergothioneine-biosynthetic sulfoxide synthase EgtB in complex with N,N,N-trimethyl-histidine
Descriptor: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Vit, A, Goncharenko, K.V, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2014-12-10
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway.
Angew.Chem.Int.Ed.Engl., 54, 2015
4ZFK
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BU of 4zfk by Molmil
Ergothioneine-biosynthetic Ntn hydrolase EgtC with glutamine
Descriptor: 1,2-ETHANEDIOL, Amidohydrolase EgtC, GLUTAMINE
Authors:Vit, A, Seebeck, F.P, Blankenfeldt, W.
Deposit date:2015-04-21
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC.
Chembiochem, 16, 2015

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