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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
分子名称: 6-OXO CAMPHOR HYDROLASE, SODIUM ION
著者Grogan, G, Whittingham, J.L, Turkenburg, J.P, Verma, C.S, Walsh, M.A.
登録日2002-12-04
公開日2003-01-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, Dihydrodipicolinate reductase N-terminus domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Grogan, G, Vaxelaire-Vergne, C, Beloti, L, Mayol, O.
登録日2018-11-27
公開日2019-03-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献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
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase
著者Grogan, G, Dubiel, P, Sharma, M, Klenk, J, Hauer, B.
登録日2018-05-25
公開日2019-03-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: (2S,4S)-4-(2,2-DIHYDROXYETHYL)-2,3,3-TRIMETHYLCYCLOPENTANONE, 6-oxocamphor hydrolase, CALCIUM ION
著者Leonard, P.M, Grogan, G.
登録日2004-04-06
公開日2004-06-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
2UZ1
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BU of 2uz1 by Molmil
1.65 Angstrom structure of Benzaldehyde Lyase complexed with 2-methyl- 2,4-pentanediol
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BENZALDEHYDE LYASE, THIAMINE DIPHOSPHATE
著者Maraite, A, Schmidt, T, Ansorge-Schumacher, M.B, Brzozowski, A.M, Grogan, G.
登録日2007-04-23
公開日2007-07-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of the Thdp-Dependent Enzyme Benzaldehyde Lyase Refined to 1.65 A Resolution.
Acta Crystallogr.,Sect.F, 63, 2007
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
分子名称: (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, ...
著者Eger, E, Sharma, M, Kroutil, W, Grogan, G.
登録日2020-06-16
公開日2020-09-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
To Be Published
4USR
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BU of 4usr by Molmil
Structure of flavin-containing monooxygenase from Pseudomonas stutzeri NF13
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MONOOXYGENASE
著者Jensen, C.N, Ali, S.T, Allen, M.J, Grogan, G.
登録日2014-07-11
公開日2014-10-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献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
4USQ
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Structure of flavin-containing monooxygenase from Cellvibrio sp. BR
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, PYRIDINE NUCLEOTIDE-DISULFIDE OXIDOREDUCTASE
著者Jensen, C.N, Ali, S.T, Allen, M.J, Grogan, G.
登録日2014-07-11
公開日2014-10-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献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
6EOI
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Reductive Aminase from Aspergillus terreus in complex with NADPH and ethyl-5-oxohexanoate
分子名称: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Reductive Aminase, ...
著者Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G.
登録日2017-10-09
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A Mechanism for Reductive Amination Catalyzed by Fungal Reductive Aminases
Acs Catalysis, 2018
6EOD
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Structure of Reductive Aminase from Aspergillus terreus in complex with NADPH
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Reductive Aminase
著者Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G.
登録日2017-10-09
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Mechanism for Reductive Amination Catalyzed by Fungal Reductive Aminases
Acs Catalysis, 2018
6QHE
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BU of 6qhe by Molmil
Alcohol Dehydrogenase from Arthrobacter sp. TS-15 in complex with NAD+
分子名称: Alcohol Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
著者Lockie, C, Beloti, L, Shanati, T, Ansorge-Schumacher, M, Grogan, G.
登録日2019-01-16
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Two Enantiocomplementary Ephedrine Dehydrogenases from Arthrobacter sp. TS-15 with Broad Substrate Specificity
Acs Catalysis, 9, 2019
7QZN
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Amine Dehydrogenase from Cystobacter fuscus (CfusAmDH) W145A mutant with NAD+
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Amine Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G.
登録日2022-01-31
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献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
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMYLAMINE, Amine Dehydrogenase, ...
著者Bennett, M, Ducrot, L, Vaxelaire-Vergne, C, Grogan, G.
登録日2022-01-31
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
6THM
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BU of 6thm by Molmil
Linalool Dehydratase Isomerase M125A mutant
分子名称: 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI, MALONATE ION
著者Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
登録日2019-11-20
公開日2020-10-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
6T9H
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BU of 6t9h by Molmil
C171S mutant of Linalool Dehydratase Isomerase
分子名称: Linalool dehydratase-isomerase protein LDI
著者Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
登録日2019-10-28
公開日2020-10-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
8AV5
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Glycosylated PaDa-I mutant of Unspecific Peroxygenase from Agrocybe aegerita
分子名称: 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, ...
著者Mielke, T.F, Grogan, G.
登録日2022-08-26
公開日2023-08-02
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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
分子名称: Imine Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Gilio, A.K, Steflik, J, Grogan, G.
登録日2022-11-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Engineering of a Reductive Aminase to Enable the Synthesis of a Key Intermediate to a CDK 2/4/6 Inhibitor
Acs Catalysis, 13, 2023
6TFT
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BU of 6tft by Molmil
Linalool Dehydratase Isomerase C171A mutant
分子名称: Linalool dehydratase-isomerase protein LDI
著者Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
登録日2019-11-14
公開日2020-10-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献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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Linalool Dehydratase Isomerase C180A mutant
分子名称: 1,2-ETHANEDIOL, Linalool dehydratase-isomerase protein LDI
著者Cuetos, A, Zukic, E, Danesh-Azari, H.R, Grogan, G.
登録日2019-11-14
公開日2020-10-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Mutational Analysis of Linalool Dehydratase Isomerase Suggests That Alcohol and Alkene Transformations Are Catalyzed Using Noncovalent Mechanisms
Acs Catalysis, 2020
8CI9
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Deoxypodophyllotoxin Synthase in complex with Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxypodophyllotoxin synthase, FE (III) ION
著者Ingold, Z, Lichman, B, Grogan, G.
登録日2023-02-09
公開日2023-06-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure and mutation of deoxypodophyllotoxin synthase (DPS) from Podophyllum hexandrum
Front Catal, 3, 2023
4CPD
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Alcohol dehydrogenase TADH from Thermus sp. ATN1
分子名称: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Man, H, Gargulio, S, Frank, A, Hollmann, F, Grogan, G.
登録日2014-02-05
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献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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2-hydroxybiphenyl 3-monooxygenase (HbpA) in complex with FAD
分子名称: 2-HYDROXYBIPHENYL 3-MONOOXYGENASE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
著者Jensen, C.N, Farrugia, J.E, Frank, A, Man, H, Hart, S, Turkenburg, J.P, Grogan, G.
登録日2014-04-10
公開日2015-03-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献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
4D3F
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BcSIRED from Bacillus cereus in complex with NADPH
分子名称: IMINE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Man, H, Hart, S, Turkenburg, J.P, Grogan, G.
登録日2014-10-21
公開日2015-04-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Chembiochem, 16, 2015
4D3D
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Structure of Imine Reductase BcSIRED from Bacillus cereus BAG3X2
分子名称: IMINE REDUCTASE, MAGNESIUM ION, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL
著者Man, H, Hart, S, Turkenburg, J.P, Grogan, G.
登録日2014-10-21
公開日2015-04-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Chembiochem, 16, 2015
4CY6
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apo structure of 2-hydroxybiphenyl 3-monooxygenase HbpA
分子名称: 2-HYDROXYBIPHENYL-3-MONOOXYGENASE
著者Jensen, C.N, Farrugia, J.E, Frank, A, Man, H, Hart, S, Turkenburg, J.P, Grogan, G.
登録日2014-04-10
公開日2015-03-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献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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