1O8U
 
 | | The 2 Angstrom Structure of 6-Oxo Camphor Hydrolase: New Structural Diversity in the Crotonase Superfamily | | Descriptor: | 6-OXO CAMPHOR HYDROLASE, SODIUM ION | | Authors: | Grogan, G, Whittingham, J.L, Turkenburg, J.P, Verma, C.S, Walsh, M.A. | | Deposit date: | 2002-12-04 | | Release date: | 2003-01-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 2 a Crystal Structure of 6-Oxo Camphor Hydrolase: New Structural Diversity in the Crotonase Superfamily
J.Biol.Chem., 278, 2003
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6IAQ
 | | Structure of Amine Dehydrogenase from Mycobacterium smegmatis | | Descriptor: | 1,2-ETHANEDIOL, Dihydrodipicolinate reductase N-terminus domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Grogan, G, Vaxelaire-Vergne, C, Beloti, L, Mayol, O. | | Deposit date: | 2018-11-27 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | A family of native amine dehydrogenases for the asymmetric reductive amination of ketones
Nat Catal, 2019
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6GMF
 | | Structure of Cytochrome P450 CYP109Q5 from Chondromyces apiculatus | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase | | Authors: | Grogan, G, Dubiel, P, Sharma, M, Klenk, J, Hauer, B. | | Deposit date: | 2018-05-25 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Characterization and structure-guided engineering of the novel versatile terpene monooxygenase CYP109Q5 from Chondromyces apiculatus DSM436.
Microb Biotechnol, 12, 2019
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1SZO
 | | Crystal Structure Analysis of the 6-Oxo Camphor Hydrolase His122Ala Mutant Bound to Its Natural Product (2S,4S)-alpha-Campholinic Acid | | Descriptor: | (2S,4S)-4-(2,2-DIHYDROXYETHYL)-2,3,3-TRIMETHYLCYCLOPENTANONE, 6-oxocamphor hydrolase, CALCIUM ION | | Authors: | Leonard, P.M, Grogan, G. | | Deposit date: | 2004-04-06 | | Release date: | 2004-06-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of 6-oxo camphor hydrolase H122A mutant bound to its natural product, (2S,4S)-alpha-campholinic acid: mutant structure suggests an atypical mode of transition state binding for a crotonase homolog.
J.Biol.Chem., 279, 2004
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4USR
 | | Structure of flavin-containing monooxygenase from Pseudomonas stutzeri NF13 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MONOOXYGENASE | | Authors: | Jensen, C.N, Ali, S.T, Allen, M.J, Grogan, G. | | Deposit date: | 2014-07-11 | | Release date: | 2014-10-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Exploring Nicotinamide Cofactor Promiscuity in Nad(P)H-Dependent Flavin Containing Monooxygenases (Fmos) Using Natural Variation within the Phosphate Binding Loop. Structure and Activity of Fmos from Cellvibrio Sp. Br and Pseudomonas Stutzeri NF13
J.Mol.Catal., 109, 2014
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7QUL
 | | Alcohol Dehydrogenase from Thauera aromatica K319A/K320A mutant | | Descriptor: | 1,2-ETHANEDIOL, 6-hydroxycyclohex-1-ene-1-carbonyl-CoA dehydrogenase, ZINC ION | | Authors: | Petchey, M.L, Stark, F, Ansorge-Schumacher, M, Grogan, G. | | Deposit date: | 2022-01-18 | | Release date: | 2022-08-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Advanced Insights into Catalytic and Structural Features of the Zinc-Dependent Alcohol Dehydrogenase from Thauera aromatica.
Chembiochem, 23, 2022
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7QUY
 | | Alcohol Dehydrogenase from Thauera aromatica complexed with NADH | | Descriptor: | 6-hydroxycyclohex-1-ene-1-carbonyl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Petchey, M.L, Stark, F, Ansorge-Schumacher, M, Grogan, G. | | Deposit date: | 2022-01-19 | | Release date: | 2022-08-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Advanced Insights into Catalytic and Structural Features of the Zinc-Dependent Alcohol Dehydrogenase from Thauera aromatica.
Chembiochem, 23, 2022
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3ZGJ
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7QZL
 | | Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NADP+ and pentylamine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMYLAMINE, Amine Dehydrogenase, ... | | Authors: | Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G. | | Deposit date: | 2022-01-31 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cover Feature: Expanding the Substrate Scope of Native Amine Dehydrogenases through In Silico Structural Exploration and Targeted Protein Engineering (ChemCatChem 22/2022)
Chemcatchem, 14, 2022
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7QZN
 | | Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NAD+ | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amine Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G. | | Deposit date: | 2022-01-31 | | Release date: | 2022-12-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Cover Feature: Expanding the Substrate Scope of Native Amine Dehydrogenases through In Silico Structural Exploration and Targeted Protein Engineering (ChemCatChem 22/2022)
Chemcatchem, 14, 2022
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4USQ
 | | Structure of flavin-containing monooxygenase from Cellvibrio sp. BR | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PYRIDINE NUCLEOTIDE-DISULFIDE OXIDOREDUCTASE | | Authors: | Jensen, C.N, Ali, S.T, Allen, M.J, Grogan, G. | | Deposit date: | 2014-07-11 | | Release date: | 2014-10-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Exploring Nicotinamide Cofactor Promiscuity in Nad(P)H-Dependent Flavin Containing Monooxygenases (Fmos) Using Natural Variation within the Phosphate Binding Loop. Structure and Activity of Fmos from Cellvibrio Sp. Br and Pseudomonas Stutzeri NF13
J.Mol.Catal., 109, 2014
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5OJL
 | | Imine Reductase from Aspergillus terreus in complex with NADPH4 and dibenz[c,e]azepine | | Descriptor: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, 5-methyl-7~{H}-benzo[d][2]benzazepine, Imine reductase | | Authors: | Sharma, M, Grogan, G. | | Deposit date: | 2017-07-21 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Biocatalytic Routes to Enantiomerically Enriched Dibenz[c,e]azepines.
Angew. Chem. Int. Ed. Engl., 56, 2017
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3ZHB
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6QHE
 | | Alcohol Dehydrogenase from Arthrobacter sp. TS-15 in complex with NAD+ | | Descriptor: | Alcohol Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | | Authors: | Lockie, C, Beloti, L, Shanati, T, Ansorge-Schumacher, M, Grogan, G. | | Deposit date: | 2019-01-16 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Two Enantiocomplementary Ephedrine Dehydrogenases from Arthrobacter sp. TS-15 with Broad Substrate Specificity
Acs Catalysis, 9, 2019
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7R09
 | | Amine Dehydrogenase MATOUAmDH2 in complex with NADP+ and Cyclohexylamine | | Descriptor: | Amine Dehydrogenase, CYCLOHEXYLAMMONIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-04-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure and Mutation of the Native Amine Dehydrogenase MATOUAmDH2.
Chembiochem, 23, 2022
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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: | 2024-10-23 | | 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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6EOH
 | | Reductive Aminase from Aspergillus terreus in complex with NADPH and ethyl levulinate | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Reductive Aminase, ethyl levulinate | | Authors: | Sharma, M, Grogan, G, Mangas-Sanchez, J, Turner, N.J. | | Deposit date: | 2017-10-09 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Mechanism for Reductive Amination Catalyzed by Fungal Reductive Aminases
Acs Catalysis, 2018
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6EOI
 | | Reductive Aminase from Aspergillus terreus in complex with NADPH and ethyl-5-oxohexanoate | | Descriptor: | MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Reductive Aminase, ... | | Authors: | Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G. | | Deposit date: | 2017-10-09 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A Mechanism for Reductive Amination Catalyzed by Fungal Reductive Aminases
Acs Catalysis, 2018
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6EOD
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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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8AV5
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8CI9
 | | Deoxypodophyllotoxin Synthase in complex with Tris | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxypodophyllotoxin synthase, FE (III) ION | | Authors: | Ingold, Z, Lichman, B, Grogan, G. | | Deposit date: | 2023-02-09 | | Release date: | 2023-06-14 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Structure and mutation of deoxypodophyllotoxin synthase (DPS) from Podophyllum hexandrum
Front Catal, 3, 2023
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8BJ5
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6IAU
 | | Amine Dehydrogenase from Cystobacter fuscus in complex with NADP+ and cyclohexylamine | | Descriptor: | Amine Dehydrogenase, CYCLOHEXYLAMMONIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Beloti, L, Mayol, O, Turkenburg, J.P, Vaxelaire-Vergne, C, Grogan, G. | | Deposit date: | 2018-11-27 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A family of native amine dehydrogenases for the asymmetric reductive amination of ketones
Nat Catal, 2019
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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
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