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8BIT
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BU of 8bit by Molmil
Crystal structure of acyl-CoA synthetase from Metallosphaera sedula in complex with Coenzyme A and acetyl-AMP
分子名称: 4-hydroxybutyrate--CoA ligase 1, COENZYME A, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate
著者Capra, N, Thunnissen, A.M.W.H, Janssen, D.B.
登録日2022-11-02
公開日2023-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering
Front Catal, 4, 2024
8BIQ
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BU of 8biq by Molmil
Crystal structure of acyl-COA synthetase from Metallosphaera sedula in complex with acetyl-AMP
分子名称: 4-hydroxybutyrate--CoA ligase 1, ADENOSINE MONOPHOSPHATE, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate
著者Capra, N, Thunnissen, A.M.W.H, Janssen, D.B.
登録日2022-11-02
公開日2023-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering
Front Catal, 4, 2024
5OX2
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BU of 5ox2 by Molmil
Crystal structure of thymoligase, a substrate-tailored peptiligase variant
分子名称: Fragment of prodomain, SULFATE ION, Subtilisin BPN'
著者Rozeboom, H.J, Janssen, D.B.
登録日2017-09-05
公開日2018-01-10
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Design of a substrate-tailored peptiligase variant for the efficient synthesis of thymosin-alpha1.
Org. Biomol. Chem., 16, 2018
6YRA
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BU of 6yra by Molmil
Crystal structure of ATP-dependent caprolactamase from Pseudomonas jessenii
分子名称: 5-oxoprolinase, Hydantoinase, ZINC ION
著者Rozeboom, H.J, Janssen, D.B.
登録日2020-04-20
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Catalytic and structural properties of ATP-dependent caprolactamase from Pseudomonas jessenii.
Proteins, 89, 2021
5AC3
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BU of 5ac3 by Molmil
Crystal structure of PAM12A
分子名称: ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE
著者Wu, B, Wijma, H.J, Song, L, Rozeboom, H.J, Poloni, C, Tian, Y, Arif, M.I, Nuijens, T, Quadflieg, P.J.L.M, Szymanski, W, Feringa, B.L, Janssen, D.B.
登録日2015-08-11
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Versatile Peptide C-Terminal Functionalization Via a Computationally Peptide Amidase
Acs Catalysis, 2016
1EHY
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BU of 1ehy by Molmil
X-ray structure of the epoxide hydrolase from agrobacterium radiobacter ad1
分子名称: POTASSIUM ION, PROTEIN (SOLUBLE EPOXIDE HYDROLASE)
著者Nardini, M, Ridder, I.S, Rozeboom, H.J, Kalk, K.H, Rink, R, Janssen, D.B, Dijkstra, B.W.
登録日1998-10-17
公開日1999-10-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The x-ray structure of epoxide hydrolase from Agrobacterium radiobacter AD1. An enzyme to detoxify harmful epoxides.
J.Biol.Chem., 274, 1999
1FXH
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BU of 1fxh by Molmil
MUTANT OF PENICILLIN ACYLASE IMPAIRED IN CATALYSIS WITH PHENYLACETIC ACID IN THE ACTIVE SITE
分子名称: 2-PHENYLACETIC ACID, CALCIUM ION, PENICILLIN ACYLASE
著者Alkema, W.B, Hensgens, C.M, Kroezinga, E.H, de Vries, E, Floris, R, van der Laan, J.M, Dijkstra, B.W, Janssen, D.B.
登録日2000-09-26
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Characterization of the beta-lactam binding site of penicillin acylase of Escherichia coli by structural and site-directed mutagenesis studies.
Protein Eng., 13, 2000
1FXV
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BU of 1fxv by Molmil
PENICILLIN ACYLASE MUTANT IMPAIRED IN CATALYSIS WITH PENICILLIN G IN THE ACTIVE SITE
分子名称: CALCIUM ION, PENICILLIN ACYLASE, PENICILLIN G
著者Alkema, W.B, Hensgens, C.M, Kroezinga, E.H, de Vries, E, Floris, R, van der Laan, J.M, Dijkstra, B.W, Janssen, D.B.
登録日2000-09-27
公開日2001-03-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Characterization of the beta-lactam binding site of penicillin acylase of Escherichia coli by structural and site-directed mutagenesis studies.
Protein Eng., 13, 2000
1ZMT
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BU of 1zmt by Molmil
Structure of haloalcohol dehalogenase HheC of Agrobacterium radiobacter AD1 in complex with (R)-para-nitro styrene oxide, with a water molecule in the halide-binding site
分子名称: (R)-PARA-NITROSTYRENE OXIDE, Haloalcohol dehalogenase HheC
著者de Jong, R.M, Tiesinga, J.J.W, Villa, A, Tang, L, Janssen, D.B, Dijkstra, B.W.
登録日2005-05-10
公開日2005-10-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for the Enantioselectivity of an Epoxide Ring Opening Reaction Catalyzed by Halo Alcohol Dehalogenase HheC.
J.Am.Chem.Soc., 127, 2005
1ZO8
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BU of 1zo8 by Molmil
X-ray Structure of the haloalcohol dehalogenase HheC of Agrobacterium radiobacter AD1 in complex with (S)-para-nitrostyrene oxide, with a water molecule in the halide-binding site
分子名称: (S)-PARA-NITROSTYRENE OXIDE, halohydrin dehalogenase
著者de Jong, R.M, Tiesinga, J.J.W, Tang, L, Villa, A, Janssen, D.B, Dijkstra, B.W.
登録日2005-05-12
公開日2005-10-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for the Enantioselectivity of an Epoxide Ring Opening Reaction Catalyzed by Halo Alcohol Dehalogenase HheC.
J.Am.Chem.Soc., 127, 2005
1ZMO
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BU of 1zmo by Molmil
Apo structure of haloalcohol dehalogenase HheA of Arthrobacter sp. AD2
分子名称: halohydrin dehalogenase
著者de Jong, R.M, Kalk, K.H, Tang, L, Janssen, D.B, Dijkstra, B.W.
登録日2005-05-10
公開日2006-04-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The X-ray structure of the haloalcohol dehalogenase HheA from Arthrobacter sp. strain AD2: insight into enantioselectivity and halide binding in the haloalcohol dehalogenase family.
J.Bacteriol., 188, 2006
4C5R
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BU of 4c5r by Molmil
Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis
分子名称: (3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid, GLYCEROL, PHENYLALANINE AMMONIA-LYASE
著者Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W.
登録日2013-09-16
公開日2014-05-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis.
Biochemistry, 53, 2014
4C5S
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BU of 4c5s by Molmil
Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis
分子名称: (3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid, PHENYLALANINE AMMONIA-LYASE
著者Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W.
登録日2013-09-16
公開日2014-05-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis.
Biochemistry, 53, 2014
4CQ5
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BU of 4cq5 by Molmil
Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PHENYLALANINE AMINOMUTASE, ...
著者Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W.
登録日2014-02-11
公開日2014-05-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis.
Biochemistry, 53, 2014
4BAB
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BU of 4bab by Molmil
Redesign of a Phenylalanine Aminomutase into a beta-Phenylalanine Ammonia Lyase
分子名称: PHENYLALANINE AMINOMUTASE
著者Bartsch, S, Wybenga, G.G, Jansen, M, Heberling, M.M, Wu, B, Dijkstra, B.W, Janssen, D.B.
登録日2012-09-12
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Redesign of a Phenylalanine Aminomutase Into a Phenylalanine Ammonia Lyase
To be Published
4C6G
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BU of 4c6g by Molmil
Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis
分子名称: PHENYLALANINE AMMONIA-LYASE
著者Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W.
登録日2013-09-18
公開日2014-05-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis.
Biochemistry, 53, 2014
4C5U
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BU of 4c5u by Molmil
Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis
分子名称: PHENYLALANINE AMMONIA-LYASE
著者Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W.
登録日2013-09-16
公開日2014-05-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis.
Biochemistry, 53, 2014
4IY1
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BU of 4iy1 by Molmil
Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) with chloride bound
分子名称: CHLORIDE ION, Halohydrin dehalogenase
著者Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B.
登録日2013-01-28
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase.
Chembiochem, 14, 2013
6Z1X
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BU of 6z1x by Molmil
Crystal structure of human steroid carrier protein SL (SCP-2L) mutant V83C
分子名称: OXTOXYNOL-10, Peroxisomal multifunctional enzyme type 2, SULFATE ION
著者Rozeboom, H.J, Janssen, D.B.
登録日2020-05-14
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Engineering Thermostability in Artificial Metalloenzymes to Increase Catalytic Activity
Acs Catalysis, 11, 2021
6Z1W
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BU of 6z1w by Molmil
Crystal structure of human steroid carrier protein SL (SCP-2L) mutant A100C
分子名称: OXTOXYNOL-10, Peroxisomal multifunctional enzyme type 2, SULFATE ION
著者Rozeboom, H.J, Janssen, D.B.
登録日2020-05-14
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Engineering Thermostability in Artificial Metalloenzymes to Increase Catalytic Activity
Acs Catalysis, 11, 2021
7B4J
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BU of 7b4j by Molmil
Thermostable omega transaminase PjTA-R6 variant W58M/F86L/R417L engineered for asymmetric synthesis of enantiopure bulky amines
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase family protein, SUCCINIC ACID
著者Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
登録日2020-12-02
公開日2021-09-01
最終更新日2021-09-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Computational Redesign of an omega-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines.
Acs Catalysis, 11, 2021
7B4I
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BU of 7b4i by Molmil
Thermostable omega transaminase PjTA-R6 variant W58G engineered for asymmetric synthesis of enantiopure bulky amines
分子名称: Aspartate aminotransferase family protein, PYRIDOXAL-5'-PHOSPHATE, SUCCINIC ACID
著者Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
登録日2020-12-02
公開日2021-09-01
最終更新日2021-09-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Computational Redesign of an omega-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines.
Acs Catalysis, 11, 2021
4IXT
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BU of 4ixt by Molmil
Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) bound to ethyl (R)-4-cyano-3-hydroxybutyrate
分子名称: CHLORIDE ION, Halohydrin dehalogenase, ethyl (3R)-4-cyano-3-hydroxybutanoate
著者Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B.
登録日2013-01-28
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase.
Chembiochem, 14, 2013
4IXW
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Halohydrin dehalogenase (HheC) bound to ethyl (2S)-oxiran-2-ylacetate
分子名称: CHLORIDE ION, Halohydrin dehalogenase, ethyl (2S)-oxiran-2-ylacetate
著者Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B.
登録日2013-01-28
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase.
Chembiochem, 14, 2013
4R9K
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Structure of thermostable eightfold mutant of limonene epoxide hydrolase from Rhodococcus erythropolis
分子名称: (2R)-2-hydroxyhexanamide, GLYCEROL, Limonene-1,2-epoxide hydrolase
著者Floor, R.J, Wijma, H.J, Jekel, P.A, Terwisscha van Scheltinga, A.C, Dijkstra, B.W, Janssen, D.B.
登録日2014-09-05
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献X-ray crystallographic validation of structure predictions used in computational design for protein stabilization.
Proteins, 83, 2015

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