5FR9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5fr9 by Molmil](/molmil-images/mine/5fr9) | Structure of transaminase ATA-117 arRmut11 from Arthrobacter sp. KNK168 inhibited with 1-(4-Bromophenyl)-2-fluoroethylamine | Descriptor: | (R)-AMINE TRANSAMINASE, [4-[3-(4-bromophenyl)-3-oxidanylidene-propyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl phosphate | Authors: | Cuetos, A, Kroutil, W, Lavandera, I, Grogan, G. | Deposit date: | 2015-12-16 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Catalytic Promiscuity of Transaminases: Preparation of Enantioenriched Beta-Fluoroamines by Formal Tandem Hydrodefluorination/Deamination. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
5G4J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g4j by Molmil](/molmil-images/mine/5g4j) | Phospholyase A1RDF1 from Arthrobacter in complex with phosphoethanolamine | Descriptor: | PUTATIVE AMINOTRANSFERASE CLASS III PROTEIN, SODIUM ION, {5-hydroxy-6-methyl-4-[(E)-{[2-(phosphonooxy)ethyl]imino}methyl]pyridin-3-yl}methyl dihydrogen phosphate | Authors: | Cuetos, A, Tuan, A.N, Mangas Sanchez, J, Grogan, G. | Deposit date: | 2016-05-13 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural Basis for Phospholyase Activity of a Class III Transaminase Homologue. Chembiochem, 17, 2016
|
|
5G4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5g4i by Molmil](/molmil-images/mine/5g4i) | PLP-dependent phospholyase A1RDF1 from Arthrobacter aurescens TC1 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, PHOSPHATE ION, ... | Authors: | Cuetos, A, Tuan, A.N, Mangas Sanchez, J, Grogan, G. | Deposit date: | 2016-05-13 | Release date: | 2016-10-19 | Last modified: | 2017-03-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis for Phospholyase Activity of a Class III Transaminase Homologue. Chembiochem, 17, 2016
|
|
7AD2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ad2 by Molmil](/molmil-images/mine/7ad2) | |
6THM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6thm by Molmil](/molmil-images/mine/6thm) | Linalool Dehydratase Isomerase M125A mutant | Descriptor: | 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI, MALONATE ION | Authors: | Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G. | Deposit date: | 2019-11-20 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms Acs Catalysis, 2020
|
|
6T9H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t9h by Molmil](/molmil-images/mine/6t9h) | |
6TFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tfn by Molmil](/molmil-images/mine/6tfn) | |
6TFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tfr by Molmil](/molmil-images/mine/6tfr) | Linalool Dehydratase Isomerase C180A mutant | Descriptor: | 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI | Authors: | Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G. | Deposit date: | 2019-11-14 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms Acs Catalysis, 2020
|
|
6TFT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tft by Molmil](/molmil-images/mine/6tft) | |
7A3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7a3w by Molmil](/molmil-images/mine/7a3w) | Structure of Imine Reductase from Pseudomonas sp. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, NAD(P)-dependent oxidoreductase, ... | Authors: | Cuetos, A, Thorpe, T, Turner, N.J, Grogan, G. | Deposit date: | 2020-08-18 | Release date: | 2021-08-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Multifunctional biocatalyst for conjugate reduction and reductive amination. Nature, 604, 2022
|
|
6H1B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h1b by Molmil](/molmil-images/mine/6h1b) | Structure of amide bond synthetase Mcba K483A mutant from Marinactinospora thermotolerans | Descriptor: | 1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid, ADENOSINE MONOPHOSPHATE, Fatty acid CoA ligase | Authors: | Rowlinson, B, Petchey, M, Cuetos, A, Frese, A, Dannevald, S, Grogan, G. | Deposit date: | 2018-07-11 | Release date: | 2018-09-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 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
|
|
6RZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rz2 by Molmil](/molmil-images/mine/6rz2) | SalL with Chloroadenosine | Descriptor: | 5'-CHLORO-5'-DEOXYADENOSINE, Adenosyl-chloride synthase | Authors: | McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G. | Deposit date: | 2019-06-12 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation. Angew.Chem.Int.Ed.Engl., 58, 2019
|
|
6RYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ryz by Molmil](/molmil-images/mine/6ryz) | SalL with S-adenosyl methionine | Descriptor: | 1,2-ETHANEDIOL, Adenosyl-chloride synthase, CHLORIDE ION, ... | Authors: | McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G. | Deposit date: | 2019-06-12 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation. Angew.Chem.Int.Ed.Engl., 58, 2019
|
|
7ZNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7znm by Molmil](/molmil-images/mine/7znm) | Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 2.01 Angstrom resolution | Descriptor: | 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, ... | Authors: | Robinson, W.X.Q, Mielke, T, Grogan, G. | Deposit date: | 2022-04-21 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli. Chembiochem, 24, 2023
|
|
7ZNV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7znv by Molmil](/molmil-images/mine/7znv) | Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 1.21 Angstrom resolution | Descriptor: | 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, ... | Authors: | Robinson, W.X.Q, Mielke, T, Grogan, G. | Deposit date: | 2022-04-22 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli. Chembiochem, 24, 2023
|
|
7ZNW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7znw by Molmil](/molmil-images/mine/7znw) | |
8OZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ozw by Molmil](/molmil-images/mine/8ozw) | Imine Reductase from Ajellomyces dermatitidis in complex NADPH4 | Descriptor: | 1,2-ETHANEDIOL, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, Oxidoreductase | Authors: | Sharma, M, Grogan, G. | Deposit date: | 2023-05-09 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms. Acta Crystallogr.,Sect.F, 79, 2023
|
|
8OZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ozv by Molmil](/molmil-images/mine/8ozv) | Imine Reductase from Ajellomyces dermatitidis in complex with 2,2-difluoroacetophenone | Descriptor: | 2,2-bis(fluoranyl)-1-phenyl-ethanone, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase | Authors: | Sharma, M, Grogan, G. | Deposit date: | 2023-05-09 | Release date: | 2023-08-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms. Acta Crystallogr.,Sect.F, 79, 2023
|
|
8P2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p2j by Molmil](/molmil-images/mine/8p2j) | |