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6IAQ
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BU of 6iaq by Molmil
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
1O8U
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BU of 1o8u by Molmil
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
6GMF
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BU of 6gmf by Molmil
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
1SZO
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BU of 1szo by Molmil
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
8CI9
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BU of 8ci9 by Molmil
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
4USR
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BU of 4usr by Molmil
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
5M49
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BU of 5m49 by Molmil
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
5FJU
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BU of 5fju by Molmil
N-acyl amino acid racemase from Amycolatopsis sp. Ts-1-60: Q26A M50I G291D F323Y mutant in complex with N-acetyl phenylalanine
Descriptor: MAGNESIUM ION, N-acetyl-L-phenylalanine, O-SUCCINYLBENZOATE SYNTHASE
Authors:Sanchez Carron, G, Campopiano, D, Grogan, G.
Deposit date:2015-10-13
Release date:2016-11-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure of N-Acylamino Acid Racemase Mutants in Complex with Substrates
To be Published
7ZBO
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BU of 7zbo by Molmil
Amine Dehydrogenase MATOUAmDH2 in complex with NADP+
Descriptor: Amine Dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bennett, M, Ducrot, L, Vergne-Vaxelaire, C, Grogan, G.
Deposit date:2022-03-24
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure and Mutation of the Native Amine Dehydrogenase MATOUAmDH2.
Chembiochem, 23, 2022
4USQ
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BU of 4usq by Molmil
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
7ANT
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BU of 7ant by Molmil
Structure of CYP153A from Polaromonas sp.
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, HEME C
Authors:Zukic, E, Rowlinson, B, Sharma, M, Hoffman, S, Hauer, B, Grogan, G.
Deposit date:2020-10-12
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
7AO7
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BU of 7ao7 by Molmil
Structure of CYP153A from Polaromonas sp. in complex with octan-1-ol
Descriptor: Cytochrome P450, OCTAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zukic, E, Rowlinson, B, Sharma, M, Hoffmann, S, Hauer, B, Grogan, G.
Deposit date:2020-10-13
Release date:2021-04-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
5FYF
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BU of 5fyf by Molmil
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
5FYG
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BU of 5fyg by Molmil
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
6IAU
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BU of 6iau by Molmil
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
4D3F
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BU of 4d3f by Molmil
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
4D3S
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BU of 4d3s by Molmil
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
4CPD
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BU of 4cpd by Molmil
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
4CY8
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BU of 4cy8 by Molmil
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
4CY6
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BU of 4cy6 by Molmil
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
4D3D
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BU of 4d3d by Molmil
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
2XEC
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BU of 2xec by Molmil
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
2XED
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BU of 2xed by Molmil
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
7QZN
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BU of 7qzn by Molmil
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
7QZL
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BU of 7qzl by Molmil
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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