5M46
 
 | | Alpha-amino epsilon-caprolactam racemase (ACLR) from Rhizobacterium freirei | | Descriptor: | 1,2-ETHANEDIOL, Aminotransferase class-III, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Frese, A, Sutton, P.W, Turkenburg, J.P, Grogan, G. | | Deposit date: | 2016-10-18 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography
Acs Catalysis, 7, 2017
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5M4D
 | | Alpha-amino epsilon-caprolactam racemase K241A mutant in complex with D-ACL (external aldimine) | | Descriptor: | 1,2-ETHANEDIOL, Aminotransferase class-III, [6-methyl-5-oxidanyl-4-[(~{E})-[(3~{R})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate | | Authors: | Frese, A, Sutton, P.W, Turkenburg, J.P, Grogan, G. | | Deposit date: | 2016-10-18 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography
Acs Catalysis, 7, 2017
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5M4B
 | | Alpha-amino epsilon-caprolactam racemase D210A mutant in complex with PLP and geminal diamine intermediate | | Descriptor: | 1,2-ETHANEDIOL, Aminotransferase class-III, [6-methyl-5-oxidanyl-4-[(~{E})-[(3~{R})-2-oxidanylideneazepan-3-yl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate | | Authors: | Frese, A, Sutton, P.W, Turkenburg, J.P, Grogan, G. | | Deposit date: | 2016-10-18 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography
Acs Catalysis, 7, 2017
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5M49
 | | Alpha-amino epsilon-caprolactam racemase in complex with PLP and D/L alpha amino epsilon-caprolactam (internal aldimine) | | Descriptor: | (3~{R})-3-azanylazepan-2-one, (3~{S})-3-azanylazepan-2-one, Aminotransferase class-III, ... | | Authors: | Frese, A, Sutton, P.W, Turkenburg, J.P, Grogan, G. | | Deposit date: | 2016-10-18 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography
Acs Catalysis, 7, 2017
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6GIO
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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
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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
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6G1M
 | | Amine Dehydrogenase from Petrotoga mobilis; open and closed form | | Descriptor: | Dihydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION | | Authors: | Beloti, L, Frese, A, Mayol, O, Vaxelaire-Vergne, C, Grogan, G. | | Deposit date: | 2018-03-21 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | A family of native amine dehydrogenases for the asymmetric reductive amination of ketones
Nat Catal, 2019
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6G1H
 | | Amine Dehydrogenase from Petrotoga mobilis; open form | | Descriptor: | 1,2-ETHANEDIOL, Dihydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Beloti, L, Frese, A, Mayol, O, Vergne-Vaxelaire, C, Grogan, G. | | Deposit date: | 2018-03-21 | | Release date: | 2019-03-27 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | A family of native amine dehydrogenases for the asymmetric reductive amination of ketones
Nat Catal, 2019
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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
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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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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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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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6Q7P
 | | Crystal structure of OE1.2 | | Descriptor: | 1,2-ETHANEDIOL, 1-PHENYLETHANONE, MAGNESIUM ION, ... | | Authors: | Levy, C.W. | | Deposit date: | 2018-12-13 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
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6Q7R
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6Q7O
 | | Crystal structure of OE1 | | Descriptor: | CALCIUM ION, OE1 | | Authors: | Levy, C.W. | | Deposit date: | 2018-12-13 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
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6Q7N
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6Q7Q
 | | Crystal structure of OE1.3 | | Descriptor: | OE1.3 | | Authors: | Levy, C.W. | | Deposit date: | 2018-12-13 | | Release date: | 2019-06-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism.
Nature, 570, 2019
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