4CY6
| apo structure of 2-hydroxybiphenyl 3-monooxygenase HbpA | Descriptor: | 2-HYDROXYBIPHENYL-3-MONOOXYGENASE | 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 (2.76 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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4D3S
| Imine reductase from Nocardiopsis halophila | Descriptor: | IMINE REDUCTASE, octyl beta-D-glucopyranoside | Authors: | Man, H, Hart, S, Turkenburg, J.P, Grogan, G. | Deposit date: | 2014-10-23 | Release date: | 2015-04-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.24 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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4BMV
| Short-chain dehydrogenase from Sphingobium yanoikuyae in complex with NADPH | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SHORT-CHAIN DEHYDROGENASE | Authors: | Man, H, Kedziora, K, Lavandera-Garcia, I, Gotor-Fernandez, V, Grogan, G. | Deposit date: | 2013-05-10 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of Alcohol Dehydrogenases from Ralstonia and Sphingobium Spp. Reveal the Molecular Basis for Their Recognition of 'Bulky-Bulky' Ketones Top.Catal., 57, 2014
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4BMN
| apo structure of short-chain alcohol dehydrogenase from Ralstonia sp. DSM 6428 | Descriptor: | 1,2-ETHANEDIOL, ALCLOHOL DEHYDROGENASE/SHORT-CHAIN DEHYDROGENASE, TRIS(HYDROXYETHYL)AMINOMETHANE | Authors: | Man, H, Kulig, J, Rother, D, Grogan, G. | Deposit date: | 2013-05-10 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of Alcohol Dehydrogenases from Ralstonia and Sphingobium Spp. Reveal the Molecular Basis for Their Recognition of 'Bulky-Bulky' Ketones Top.Catal., 57, 2014
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4C4O
| Structure of carbonyl reductase CPCR2 from Candida parapsilosis in complex with NADH | Descriptor: | 1,2-ETHANEDIOL, CARBONYL REDUCTASE CPCR2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Man, H, Loderer, C, Ansorge-Schumacher, M, Grogan, G. | Deposit date: | 2013-09-06 | Release date: | 2014-07-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of Nadh-Dependent Carbonyl Reductase (Cpcr2) from Candida Parapsilosis Provides Insight Into Mutations that Improve Catalytic Properties Chemcatchem, 6, 2014
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4C5O
| Flavin monooxygenase from Stenotrophomonas maltophilia. Q193R H194T mutant | Descriptor: | FLAVIN MONOOXYGENASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Jensen, C.N, Ali, S.T, Allen, M.J, Grogan, G. | Deposit date: | 2013-09-13 | Release date: | 2014-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mutations of an Nad(P)H-Dependent Flavoprotein Monooxygenase that Influence Cofactor Promiscuity and Enantioselectivity. FEBS Open Bio, 3, 2013
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4BMS
| Short chain alcohol dehydrogenase from Ralstonia sp. DSM 6428 in complex with NADPH | Descriptor: | ALCLOHOL DEHYDROGENASE/SHORT-CHAIN DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Man, H, Kulig, J, Rother, D, Grogan, G. | Deposit date: | 2013-05-10 | Release date: | 2014-03-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structures of Alcohol Dehydrogenases from Ralstonia and Sphingobium Spp. Reveal the Molecular Basis for Their Recognition of 'Bulky-Bulky' Ketones Top.Catal., 57, 2014
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5FWN
| Imine Reductase from Amycolatopsis orientalis. Closed form in in complex with (R)- Methyltetrahydroisoquinoline | Descriptor: | (1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline, IMINE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Man, H, Aleku, G, Turner, N.J, Grogan, G. | Deposit date: | 2016-02-18 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Stereoselectivity and Structural Characterization of an Imine Reductase (Ired) from Amycolatopsis Orientalis Acs Catalysis, 6, 2016
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5G6R
| Imine reductase from Aspergillus oryzae | Descriptor: | IMINE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Man, H, Aleku, G, Turner, N.J, Grogan, G. | Deposit date: | 2016-06-23 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | A reductive aminase from Aspergillus oryzae. Nat Chem, 9, 2017
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5G6S
| Imine reductase from Aspergillus oryzae in complex with NADP(H) and (R)-rasagiline | Descriptor: | IMINE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RASAGILINE | Authors: | Man, H, Aleku, G, Turner, N.J, Grogan, G. | Deposit date: | 2016-06-23 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A reductive aminase from Aspergillus oryzae. Nat Chem, 9, 2017
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5FYF
| Structure of CYP153A from Marinobacter aquaeolei | Descriptor: | 1,2-ETHANEDIOL, CYTOCHROME P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Danesh Azari, H.R, Spandolf, C, Hoffman, S.M, Weissenborn, M, Hauer, B, Grogan, G. | Deposit date: | 2016-03-07 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure-Guided Redesign of CYP153AM.aqfor the Improved Terminal Hydroxylation of Fatty Acids Chemcatchem, 2016
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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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5FYG
| Structure of CYP153A from Marinobacter aquaeolei in complex with hydroxydodecanoic acid | Descriptor: | 12-HYDROXYDODECANOIC ACID, CYTOCHROME P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Danesh-Azari, H.-R, Spandolf, C, Hoffman, S.M, Weissenborn, M, Hauer, B, Grogan, G. | Deposit date: | 2016-03-07 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-Guided Redesign of CYP153AM.aqfor the Improved Terminal Hydroxylation of Fatty Acids Chemcatchem, 2016
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5G1W
| Apo Structure of Linalool Dehydratase-Isomerase | Descriptor: | 1,2-ETHANEDIOL, LINALOOL DEHYDRATASE/ISOMERASE, METHYLMALONIC ACID | Authors: | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-03-30 | Release date: | 2017-01-11 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Nat. Chem. Biol., 13, 2017
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5G1U
| Linalool Dehydratase Isomerase in complex with Geraniol | Descriptor: | Geraniol, LINALOOL DEHYDRATASE/ISOMERASE | Authors: | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-03-30 | Release date: | 2017-01-11 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Nat. Chem. Biol., 13, 2017
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5G1V
| Linalool Dehydratase Isomerase: Selenomethionine Derivative | Descriptor: | LINALOOL DEHYDRATASE ISOMERASE | Authors: | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-03-30 | Release date: | 2017-01-11 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Nat. Chem. Biol., 13, 2017
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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
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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
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5G5A
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7OSN
| IRED361 from Micromonospora sp. in complex with NADP+ | Descriptor: | 6-phosphogluconate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Gilio, A.K, Harawa, V, Turner, N, Grogan, G.J. | Deposit date: | 2021-06-09 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Synthesis of Stereoenriched Piperidines via Chemo-Enzymatic Dearomatization of Activated Pyridines. J.Am.Chem.Soc., 144, 2022
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8BK1
| Mutant Imine Reductase IR007-143 from Amycolatopsis azurea, E120A, M197W, M206S, A213P, D238G, I240L | Descriptor: | Mutant Imine Reductase IR007-143 from Amycolatopsis azurea, E120A, M197W, ... | Authors: | Gilio, A.K, Grogan, G.J. | Deposit date: | 2022-11-08 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Engineering of a Reductive Aminase to Enable the Synthesis of a Key Intermediate to a CDK 2/4/6 Inhibitor Acs Catalysis, 13, 2023
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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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2WQ8
| Glycan labelling using engineered variants of galactose oxidase obtained by directed evolution | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ... | Authors: | Rannes, J.G, Ioannou, A, Willies, S.C, Behrens, C, Grogan, G.J, Flitsch, S.L, Turner, N.J. | Deposit date: | 2009-08-14 | Release date: | 2010-09-01 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Glycoprotein Labeling Using Engineered Variants of Galactose Oxidase Obtained by Directed Evolution. J.Am.Chem.Soc., 133, 2011
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