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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
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
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
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
6ZEA
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BU of 6zea by Molmil
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:2024-01-24
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
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
6QHE
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BU of 6qhe by Molmil
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
7R09
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BU of 7r09 by Molmil
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
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
6G71
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BU of 6g71 by Molmil
Structure of CYP1232A24 from Arthrobacter sp.
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, FE (III) ION, ...
Authors:Dubiel, P, Sharma, M, Klenk, J, Hauer, B, Grogan, G.
Deposit date:2018-04-04
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and characterization of cytochrome P450 1232A24 and 1232F1 from Arthrobacter sp. and their role in the metabolic pathway of papaverine.
J.Biochem., 166, 2019
6G1M
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BU of 6g1m by Molmil
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
6G1H
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BU of 6g1h by Molmil
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
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A family of native amine dehydrogenases for the asymmetric reductive amination of ketones
Nat Catal, 2019
6GIO
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BU of 6gio by Molmil
Structure of Amino Acid Amide Racemase from Ochrobactrum anthropi
Descriptor: 1,2-ETHANEDIOL, Amino acid amide racemase, PYRIDOXAL-5'-PHOSPHATE
Authors:Frese, A, Grogan, G.
Deposit date:2018-05-14
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:An Aminocaprolactam Racemase from Ochrobactrum anthropi with Promiscuous Amino Acid Ester Racemase Activity.
Chembiochem, 2018
6T9H
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BU of 6t9h by Molmil
C171S mutant of Linalool Dehydratase Isomerase
Descriptor: Linalool dehydratase-isomerase protein LDI
Authors:Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
Deposit date:2019-10-28
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
6TFT
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BU of 6tft by Molmil
Linalool Dehydratase Isomerase C171A mutant
Descriptor: Linalool dehydratase-isomerase protein LDI
Authors:Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
Deposit date:2019-11-14
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
6TFR
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BU of 6tfr by Molmil
Linalool Dehydratase Isomerase C180A mutant
Descriptor: 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI
Authors:Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
Deposit date:2019-11-14
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
6TOE
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BU of 6toe by Molmil
Imine Reductase from Myxococcus stipitatus V8 variant in complex with NAD+
Descriptor: Coenzyme F420-dependent NADP oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Sharma, M, Nestl, B, Grogan, G.
Deposit date:2019-12-11
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Inverting the Stereoselectivity of an NADH-Dependent Imine-Reductase Variant
Chemcatchem, 2021
6TO4
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BU of 6to4 by Molmil
Imine Reductase from Myxococcus stipitatus in complex with NADP+
Descriptor: Coenzyme F420-dependent NADP oxidoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sharma, M, Nestl, B, Grogan, G.
Deposit date:2019-12-11
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Inverting the Stereoselectivity of an NADH-Dependent Imine-Reductase Variant
Chemcatchem, 2021
8AV5
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BU of 8av5 by Molmil
Glycosylated PaDa-I mutant of Unspecific Peroxygenase from Agrocybe aegerita
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Mielke, T.F, Grogan, G.
Deposit date:2022-08-26
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Glycosylated PaDa-I mutant of Unspecific Peroxygenase from Agrocybe aegerita
To Be Published
8BJ5
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BU of 8bj5 by Molmil
Imine Reductase IR007 from Amycolatopsis azurea
Descriptor: Imine Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gilio, A.K, Steflik, J, Grogan, G.
Deposit date:2022-11-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.72 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
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
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure and mutation of deoxypodophyllotoxin synthase (DPS) from Podophyllum hexandrum
Front Catal, 3, 2023
7QUL
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BU of 7qul by Molmil
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
7QUY
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BU of 7quy by Molmil
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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