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5FR9
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BU of 5fr9 by Molmil
Structure of transaminase ATA-117 arRmut11 from Arthrobacter sp. KNK168 inhibited with 1-(4-Bromophenyl)-2-fluoroethylamine
分子名称: (R)-AMINE TRANSAMINASE, [4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate
著者Cuetos, A, Kroutil, W, Lavandera, I, Grogan, G.
登録日2015-12-16
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Catalytic Promiscuity of Transaminases: Preparation of Enantioenriched Beta-Fluoroamines by Formal Tandem Hydrodefluorination/Deamination.
Angew.Chem.Int.Ed.Engl., 55, 2016
5G4I
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BU of 5g4i by Molmil
PLP-dependent phospholyase A1RDF1 from Arthrobacter aurescens TC1
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, PHOSPHATE ION, ...
著者Cuetos, A, Tuan, A.N, Mangas Sanchez, J, Grogan, G.
登録日2016-05-13
公開日2016-10-19
最終更新日2017-03-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis for Phospholyase Activity of a Class III Transaminase Homologue.
Chembiochem, 17, 2016
5G4J
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BU of 5g4j by Molmil
Phospholyase A1RDF1 from Arthrobacter in complex with phosphoethanolamine
分子名称: PUTATIVE AMINOTRANSFERASE CLASS III PROTEIN, SODIUM ION, {5-hydroxy-6-methyl-4-[(E)-{[2-(phosphonooxy)ethyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate
著者Cuetos, A, Tuan, A.N, Mangas Sanchez, J, Grogan, G.
登録日2016-05-13
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural Basis for Phospholyase Activity of a Class III Transaminase Homologue.
Chembiochem, 17, 2016
7AD2
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BU of 7ad2 by Molmil
Linalool Dehydratase Isomerase G107T mutant
分子名称: Linalool dehydratase/isomerase, MALONATE ION
著者Cuetos, A, Fischer, M.P, Hauer, B, Grogan, G.
登録日2020-09-14
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Linalool Dehydratase Isomerase G107T mutant
To Be Published
6THM
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BU of 6thm by Molmil
Linalool Dehydratase Isomerase M125A mutant
分子名称: 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI, MALONATE ION
著者Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
登録日2019-11-20
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
6T9H
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BU of 6t9h by Molmil
C171S mutant of Linalool Dehydratase Isomerase
分子名称: Linalool dehydratase-isomerase protein LDI
著者Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
登録日2019-10-28
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
6TFT
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BU of 6tft by Molmil
Linalool Dehydratase Isomerase C171A mutant
分子名称: Linalool dehydratase-isomerase protein LDI
著者Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
登録日2019-11-14
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
6TFR
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BU of 6tfr by Molmil
Linalool Dehydratase Isomerase C180A mutant
分子名称: 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI
著者Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
登録日2019-11-14
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
6TFN
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BU of 6tfn by Molmil
Linalool Dehydratase Isomerase in complex with Myrcene
分子名称: 7-methyl-3-methylidene-oct-1-ene, Linalool dehydratase-isomerase protein LDI
著者Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
登録日2019-11-14
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
7A3W
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BU of 7a3w by Molmil
Structure of Imine Reductase from Pseudomonas sp.
分子名称: 1,2-ETHANEDIOL, GLYCEROL, NAD(P)-dependent oxidoreductase, ...
著者Cuetos, A, Thorpe, T, Turner, N.J, Grogan, G.
登録日2020-08-18
公開日2021-08-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Multifunctional biocatalyst for conjugate reduction and reductive amination.
Nature, 604, 2022
6H1B
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BU of 6h1b by Molmil
Structure of amide bond synthetase Mcba K483A mutant from Marinactinospora thermotolerans
分子名称: 1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid, ADENOSINE MONOPHOSPHATE, Fatty acid CoA ligase
著者Rowlinson, B, Petchey, M, Cuetos, A, Frese, A, Dannevald, S, Grogan, G.
登録日2018-07-11
公開日2018-09-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Broad Aryl Acid Specificity of the Amide Bond Synthetase McbA Suggests Potential for the Biocatalytic Synthesis of Amides.
Angew. Chem. Int. Ed. Engl., 57, 2018
6RYZ
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BU of 6ryz by Molmil
SalL with S-adenosyl methionine
分子名称: 1,2-ETHANEDIOL, Adenosyl-chloride synthase, CHLORIDE ION, ...
著者McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G.
登録日2019-06-12
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation.
Angew.Chem.Int.Ed.Engl., 58, 2019
6RZ2
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BU of 6rz2 by Molmil
SalL with Chloroadenosine
分子名称: 5'-CHLORO-5'-DEOXYADENOSINE, Adenosyl-chloride synthase
著者McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G.
登録日2019-06-12
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation.
Angew.Chem.Int.Ed.Engl., 58, 2019
8OZV
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BU of 8ozv by Molmil
Imine Reductase from Ajellomyces dermatitidis in complex with 2,2-difluoroacetophenone
分子名称: 2,2-bis(fluoranyl)-1-phenyl-ethanone, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase
著者Sharma, M, Grogan, G.
登録日2023-05-09
公開日2023-08-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms.
Acta Crystallogr.,Sect.F, 79, 2023
8OZW
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BU of 8ozw by Molmil
Imine Reductase from Ajellomyces dermatitidis in complex NADPH4
分子名称: 1,2-ETHANEDIOL, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, Oxidoreductase
著者Sharma, M, Grogan, G.
登録日2023-05-09
公開日2023-08-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms.
Acta Crystallogr.,Sect.F, 79, 2023
8P2J
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BU of 8p2j by Molmil
Imine Reductase from Ajellomyces dermatitidis in space group C21
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase
著者Sharma, M, Grogan, G.
登録日2023-05-16
公開日2023-08-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms.
Acta Crystallogr.,Sect.F, 79, 2023
7ZNW
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BU of 7znw by Molmil
Artificial Unspecific Peroxygenase expressed in Escherichia coli at 2.09 Angstrom resolution
分子名称: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, artificial unspecific peoxygenase
著者Robinson, W.X.Q, Mielke, T, Grogan, G.
登録日2022-04-22
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
7ZNM
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BU of 7znm by Molmil
Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 2.01 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Artificial Unspecific Peroxygenase, ...
著者Robinson, W.X.Q, Mielke, T, Grogan, G.
登録日2022-04-21
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
7ZNV
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BU of 7znv by Molmil
Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 1.21 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
著者Robinson, W.X.Q, Mielke, T, Grogan, G.
登録日2022-04-22
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023

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