2XAA
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![BU of 2xaa by Molmil](/molmil-images/mine/2xaa) | Alcohol dehydrogenase ADH-'A' from Rhodococcus ruber DSM 44541 at pH 8.5 in complex with NAD and butane-1,4-diol | Descriptor: | 1,4-BUTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SECONDARY ALCOHOL DEHYDROGENASE, ... | Authors: | Kroutil, W, Gruber, K, Grogan, G. | Deposit date: | 2010-03-30 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Insights Into Substrate Specificity and Solvent Tolerance in Alcohol Dehydrogenase Adh-'A' from Rhodococcus Ruber Dsm 44541. Chem.Commun.(Camb.), 46, 2010
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6ZEA
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![BU of 6zea by Molmil](/molmil-images/mine/6zea) | Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, (1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, 1,2-ETHANEDIOL, ... | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2020-06-16 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline To Be Published
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5FR9
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![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
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5M3K
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![BU of 5m3k by Molmil](/molmil-images/mine/5m3k) | A multi-component acyltransferase PhlABC from Pseudomonas protegens | Descriptor: | 2,4-diacetylphloroglucinol biosynthesis protein PhlB, 2,4-diacetylphloroglucinol biosynthesis protein PhlC, PhlA, ... | Authors: | Pavkov-Keller, T, Schmidt, N.G, Kroutil, W, Gruber, K. | Deposit date: | 2016-10-15 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure and Catalytic Mechanism of a Bacterial Friedel-Crafts Acylase. Chembiochem, 20, 2019
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5MG5
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![BU of 5mg5 by Molmil](/molmil-images/mine/5mg5) | A multi-component acyltransferase PhlABC from Pseudomonas protegens soaked with the monoacetylphloroglucinol (MAPG) | Descriptor: | 2,4-diacetylphloroglucinol biosynthesis protein, 2,4-diacetylphloroglucinol biosynthesis protein PhlC, Hydroxymethylglutaryl-CoA synthase, ... | Authors: | Pavkov-Keller, T, Schmidt, N.G, Kroutil, W, Gruber, K. | Deposit date: | 2016-11-20 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.44 Å) | Cite: | Structure and Catalytic Mechanism of a Bacterial Friedel-Crafts Acylase. Chembiochem, 20, 2019
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6S5J
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![BU of 6s5j by Molmil](/molmil-images/mine/6s5j) | Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-Ethyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Strictosidine synthase | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2019-07-01 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions. J.Am.Chem.Soc., 142, 2020
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6S5Q
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![BU of 6s5q by Molmil](/molmil-images/mine/6s5q) | Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-isobutyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Strictosidine synthase | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2019-07-02 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions. J.Am.Chem.Soc., 142, 2020
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6S5U
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![BU of 6s5u by Molmil](/molmil-images/mine/6s5u) | Strictosidine Synthase from Ophiorrhiza pumila in complex with N-[2-(1H-Indol-3-yl)ethyl]-3-methyl-1-butanamine | Descriptor: | Strictosidine synthase, ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-butan-1-amine | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2019-07-02 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions. J.Am.Chem.Soc., 142, 2020
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6S5M
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![BU of 6s5m by Molmil](/molmil-images/mine/6s5m) | Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-n-propyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{S})-1-propyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Strictosidine synthase | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2019-07-02 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions. J.Am.Chem.Soc., 142, 2020
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6GG2
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![BU of 6gg2 by Molmil](/molmil-images/mine/6gg2) | The structure of FsqB from Aspergillus fumigatus, a flavoenzyme of the amine oxidase family | Descriptor: | Amino acid oxidase fmpA, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Pavkov-Keller, T, Lahham, M, Macheroux, P, Gruber, K. | Deposit date: | 2018-05-02 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Oxidative cyclization ofN-methyl-dopa by a fungal flavoenzyme of the amine oxidase family. J. Biol. Chem., 293, 2018
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3JV7
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![BU of 3jv7 by Molmil](/molmil-images/mine/3jv7) | Structure of ADH-A from Rhodococcus ruber | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, ADH-A, ... | Authors: | Karabec, M, Lyskowski, A, Gruber, K. | Deposit date: | 2009-09-16 | Release date: | 2010-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into substrate specificity and solvent tolerance in alcohol dehydrogenase ADH-'A' from Rhodococcus ruber DSM 44541. Chem.Commun.(Camb.), 2010
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8OIM
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![BU of 8oim by Molmil](/molmil-images/mine/8oim) | |
8P7E
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![BU of 8p7e by Molmil](/molmil-images/mine/8p7e) | |
8P8F
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![BU of 8p8f by Molmil](/molmil-images/mine/8p8f) | |
7O1Z
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![BU of 7o1z by Molmil](/molmil-images/mine/7o1z) | |
7O2D
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![BU of 7o2d by Molmil](/molmil-images/mine/7o2d) | |
7O1X
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![BU of 7o1x by Molmil](/molmil-images/mine/7o1x) | |
7O2G
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![BU of 7o2g by Molmil](/molmil-images/mine/7o2g) | |
7O1R
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![BU of 7o1r by Molmil](/molmil-images/mine/7o1r) | |
8A8I
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![BU of 8a8i by Molmil](/molmil-images/mine/8a8i) | Xenobiotic reductase A from Pseudomonas putida in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Polidori, N, Gruber, K. | Deposit date: | 2022-06-23 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines. Acs Catalysis, 13, 2023
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8AUG
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![BU of 8aug by Molmil](/molmil-images/mine/8aug) | |
8AU9
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![BU of 8au9 by Molmil](/molmil-images/mine/8au9) | |
8AUB
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8AUQ
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![BU of 8auq by Molmil](/molmil-images/mine/8auq) | |
8AUA
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![BU of 8aua by Molmil](/molmil-images/mine/8aua) | |