4ALB
| Structure of Phenolic Acid Decarboxylase from Bacillus subtilis: Tyr19Ala mutant in complex with coumaric acid | Descriptor: | 4'-HYDROXYCINNAMIC ACID, PHENOLIC ACID DECARBOXYLASE PADC | Authors: | Frank, A, Eborall, W, Hyde, R, Hart, S, Turkenburg, J.P, Grogan, G. | Deposit date: | 2012-03-02 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Mutational Analysis of Phenolic Acid Decarboxylase from Bacillus Subtilis (Bspad), which Converts Bio-Derived Phenolic Acids to Styrene Derivatives Catal.Sci.Technol., 2, 2012
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4ATQ
| GABA-transaminase A1R958 in complex with external aldimine PLP-GABA adduct | Descriptor: | 4-AMINOBUTYRATE TRANSAMINASE, GAMMA-AMINO-BUTANOIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Bruce, H, Tuan, A.N, Mangas Sanchez, J, Hart, S, Turkenburg, J.P, Grogan, G. | Deposit date: | 2012-05-09 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structures of a Gamma-Aminobutyrate (Gaba) Transaminase from the S-Triazine-Degrading Organism Arthrobacter Aurescens Tc1 in Complex with Plp and with its External Aldimine Plp- Gaba Adduct. Acta Crystallogr.,Sect.F, 68, 2012
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4ATP
| Structure of GABA-transaminase A1R958 from Arthrobacter aurescens in complex with PLP | Descriptor: | 4-AMINOBUTYRATE TRANSAMINASE, PYRIDOXAL-5'-PHOSPHATE | Authors: | Bruce, H, Tuan, A.N, Mangas Sanchez, J, Hart, S, Turkenburg, J.P, Grogan, G. | Deposit date: | 2012-05-09 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of a Gamma-Aminobutyrate (Gaba) Transaminase from the S-Triazine-Degrading Organism Arthrobacter Aurescens Tc1 in Complex with Plp and with its External Aldimine Plp- Gaba Adduct. Acta Crystallogr.,Sect.F, 68, 2012
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5FJU
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5FJP
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5FJT
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5FJR
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2UZ1
| 1.65 Angstrom structure of Benzaldehyde Lyase complexed with 2-methyl- 2,4-pentanediol | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BENZALDEHYDE LYASE, THIAMINE DIPHOSPHATE | Authors: | Maraite, A, Schmidt, T, Ansorge-Schumacher, M.B, Brzozowski, A.M, Grogan, G. | Deposit date: | 2007-04-23 | Release date: | 2007-07-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of the Thdp-Dependent Enzyme Benzaldehyde Lyase Refined to 1.65 A Resolution. Acta Crystallogr.,Sect.F, 63, 2007
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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
| 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
| 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
| 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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6SLE
| Structure of Reductive Aminase from Neosartorya fumigata in complex with NADP+ | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase, putative | Authors: | Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G. | Deposit date: | 2019-08-19 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases. Chem Sci, 11, 2020
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6SQ8
| Structure of amide bond synthetase McbA 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, Grogan, G. | Deposit date: | 2019-09-03 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Biocatalytic Synthesis of Moclobemide Using the Amide Bond Synthetase McbA Coupled with an ATP Recycling System. Acs Catalysis, 10, 2020
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2XED
| Nocardia farcinica maleate cis-trans isomerase C194S mutant with a covalently bound succinylcysteine intermediate | Descriptor: | PUTATIVE MALEATE ISOMERASE, SUCCINIC ACID | Authors: | Fisch, F, Martinez-Fleites, C, Baudendistel, N, Hauer, B, Turkenburg, J.P, Hart, S, Bruce, N.C, Grogan, G. | Deposit date: | 2010-05-13 | Release date: | 2010-08-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Covalent Succinylcysteine-Like Intermediate in the Enzyme-Catalyzed Transformation of Maleate to Fumarate by Maleate Isomerase. J.Am.Chem.Soc., 132, 2010
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2XEC
| Nocardia farcinica maleate cis-trans isomerase bound to TRIS | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, PUTATIVE MALEATE ISOMERASE | Authors: | Fisch, F, Martinez-Fleites, C, Baudendistel, N, Hauer, B, Turkenburg, J.P, Hart, S, Bruce, N.C, Grogan, G. | Deposit date: | 2010-05-13 | Release date: | 2010-08-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Covalent Succinylcysteine-Like Intermediate in the Enzyme-Catalyzed Transformation of Maleate to Fumarate by Maleate Isomerase. J.Am.Chem.Soc., 132, 2010
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2VSS
| Wild-type Hydroxycinnamoyl-CoA hydratase lyase in complex with acetyl- CoA and vanillin | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, ACETYL COENZYME *A, P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | Authors: | Bennett, J.P, Bertin, L.M, Brzozowski, A.M, Walton, N.J, Grogan, G. | Deposit date: | 2008-04-29 | Release date: | 2008-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | A Ternary Complex of Hydroxycinnamoyl-Coa Hydratase-Lyase (Hchl) with Acetyl-Coa and Vanillin Gives Insights Into Substrate Specificity and Mechanism. Biochem.J., 414, 2008
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2VSU
| A ternary complex of Hydroxycinnamoyl-CoA Hydratase-Lyase (HCHL) with acetyl-Coenzyme A and vanillin gives insights into substrate specificity and mechanism. | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, ACETYL COENZYME *A, P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | Authors: | Bennett, J.P, Bertin, L.M, Brzozowski, A.M, Walton, N.J, Grogan, G. | Deposit date: | 2008-04-29 | Release date: | 2008-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Ternary Complex of Hydroxycinnamoyl-Coa Hydratase-Lyase (Hchl) with Acetyl-Coa and Vanillin Gives Insights Into Substrate Specificity and Mechanism. Biochem.J., 414, 2008
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6SKX
| Structure of Reductive Aminase from Neosartorya fumigata | Descriptor: | Oxidoreductase, putative | Authors: | Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G. | Deposit date: | 2019-08-16 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases. Chem Sci, 11, 2020
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5FJO
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6TFN
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4CPD
| Alcohol dehydrogenase TADH from Thermus sp. ATN1 | Descriptor: | ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | Authors: | Man, H, Gargulio, S, Frank, A, Hollmann, F, Grogan, G. | Deposit date: | 2014-02-05 | Release date: | 2014-12-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structure of the Nadh-Dependent Thermostable Alcohol Dehydrogenase Tadh from Thermus Sp. Atn1 Provides a Platform for Engineering Specificity and Improved Compatibility with Inorganic Cofactor-Regeneration Catalysts J.Mol.Catal., B Enzym., 105, 2014
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4CY8
| 2-hydroxybiphenyl 3-monooxygenase (HbpA) in complex with FAD | Descriptor: | 2-HYDROXYBIPHENYL 3-MONOOXYGENASE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE | Authors: | Jensen, C.N, Farrugia, J.E, Frank, A, Man, H, Hart, S, Turkenburg, J.P, Grogan, G. | Deposit date: | 2014-04-10 | Release date: | 2015-03-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structures of the Apo and Fad-Bound Forms of 2-Hydroxybiphenyl 3-Monooxygenase (Hbpa) Locate Activity Hotspots Identified by Using Directed Evolution. Chembiochem, 16, 2015
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4D3F
| BcSIRED from Bacillus cereus in complex with NADPH | Descriptor: | IMINE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Man, H, Hart, S, Turkenburg, J.P, Grogan, G. | Deposit date: | 2014-10-21 | Release date: | 2015-04-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline. Chembiochem, 16, 2015
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4D3D
| Structure of Imine Reductase BcSIRED from Bacillus cereus BAG3X2 | Descriptor: | IMINE REDUCTASE, MAGNESIUM ION, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL | Authors: | Man, H, Hart, S, Turkenburg, J.P, Grogan, G. | Deposit date: | 2014-10-21 | Release date: | 2015-04-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline. Chembiochem, 16, 2015
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