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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:2019-01-30
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
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
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
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
7ZNV
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BU of 7znv by Molmil
Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 1.21 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Robinson, W.X.Q, Mielke, T, Grogan, G.
Deposit date:2022-04-22
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
7ZNW
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BU of 7znw by Molmil
Artificial Unspecific Peroxygenase expressed in Escherichia coli at 2.09 Angstrom resolution
Descriptor: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, artificial unspecific peoxygenase
Authors:Robinson, W.X.Q, Mielke, T, Grogan, G.
Deposit date:2022-04-22
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
7ZNM
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BU of 7znm by Molmil
Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 2.01 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Artificial Unspecific Peroxygenase, ...
Authors:Robinson, W.X.Q, Mielke, T, Grogan, G.
Deposit date:2022-04-21
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
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
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
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
8PYY
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BU of 8pyy by Molmil
Amide bond synthetase from Streptomyces hindustanus in open conformation
Descriptor: Fatty-acyl-CoA synthase, SULFATE ION
Authors:Tang, Q, Grogan, G.
Deposit date:2023-07-26
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8PPP
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BU of 8ppp by Molmil
Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with AMP-CPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Fatty-acyl-CoA synthase
Authors:Tang, Q, Grogan, G.
Deposit date:2023-07-07
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8PYX
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BU of 8pyx by Molmil
Amide bond synthetase from Streptomyces hindustanus K492H mutant in complex with Adenosine
Descriptor: ADENOSINE, Fatty-acyl-CoA synthase, SULFATE ION
Authors:Tang, Q, Grogan, G.
Deposit date:2023-07-26
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Broad Spectrum Enantioselective Amide Bond Synthetase from Streptoalloteichus hindustanus.
Acs Catalysis, 14, 2024
8OZV
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BU of 8ozv by Molmil
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
8P2J
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BU of 8p2j by Molmil
Imine Reductase from Ajellomyces dermatitidis in space group C21
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Oxidoreductase
Authors:Sharma, M, Grogan, G.
Deposit date:2023-05-16
Release date:2023-08-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms.
Acta Crystallogr.,Sect.F, 79, 2023
8OZW
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BU of 8ozw by Molmil
Imine Reductase from Ajellomyces dermatitidis in complex NADPH4
Descriptor: 1,2-ETHANEDIOL, 1,4,5,6-TETRAHYDRONICOTINAMIDE 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 (2.01 Å)
Cite:Structure of the imine reductase from Ajellomyces dermatitidis in three crystal forms.
Acta Crystallogr.,Sect.F, 79, 2023
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
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
6RYZ
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BU of 6ryz by Molmil
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
6RZ2
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BU of 6rz2 by Molmil
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
8A5Z
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BU of 8a5z by Molmil
Imine Reductase from Ensifer adhaerens A208N mutant in complex with NADP+
Descriptor: IODIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NAD_binding_2 domain-containing protein
Authors:Gilio, A.K, Grogan, G.
Deposit date:2022-06-16
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A Reductive Aminase Switches to Imine Reductase Mode for a Bulky Amine Substrate.
Acs Catalysis, 13, 2023
8A3X
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BU of 8a3x by Molmil
Imine Reductase from Ensifer adhaerens in complex with NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NAD_binding_2 domain-containing protein, POTASSIUM ION
Authors:Gilio, A.K, Grogan, G.
Deposit date:2022-06-09
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A Reductive Aminase Switches to Imine Reductase Mode for a Bulky Amine Substrate.
Acs Catalysis, 13, 2023

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