1EHY
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![BU of 1ehy by Molmil](/molmil-images/mine/1ehy) | X-ray structure of the epoxide hydrolase from agrobacterium radiobacter ad1 | Descriptor: | POTASSIUM ION, PROTEIN (SOLUBLE EPOXIDE HYDROLASE) | Authors: | Nardini, M, Ridder, I.S, Rozeboom, H.J, Kalk, K.H, Rink, R, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 1998-10-17 | Release date: | 1999-10-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The x-ray structure of epoxide hydrolase from Agrobacterium radiobacter AD1. An enzyme to detoxify harmful epoxides. J.Biol.Chem., 274, 1999
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5AC3
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![BU of 5ac3 by Molmil](/molmil-images/mine/5ac3) | Crystal structure of PAM12A | Descriptor: | ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE | Authors: | 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. | Deposit date: | 2015-08-11 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Versatile Peptide C-Terminal Functionalization Via a Computationally Peptide Amidase Acs Catalysis, 2016
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8PA2
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![BU of 8pa2 by Molmil](/molmil-images/mine/8pa2) | |
8PA1
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4R9K
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![BU of 4r9k by Molmil](/molmil-images/mine/4r9k) | Structure of thermostable eightfold mutant of limonene epoxide hydrolase from Rhodococcus erythropolis | Descriptor: | (2R)-2-hydroxyhexanamide, GLYCEROL, Limonene-1,2-epoxide hydrolase | Authors: | Floor, R.J, Wijma, H.J, Jekel, P.A, Terwisscha van Scheltinga, A.C, Dijkstra, B.W, Janssen, D.B. | Deposit date: | 2014-09-05 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | X-ray crystallographic validation of structure predictions used in computational design for protein stabilization. Proteins, 83, 2015
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4R9L
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![BU of 4r9l by Molmil](/molmil-images/mine/4r9l) | Structure of a thermostable elevenfold mutant of limonene epoxide hydrolase from Rhodococcus erythropolis, containing two stabilizing disulfide bonds | Descriptor: | (2R)-2-hydroxyhexanamide, Limonene-1,2-epoxide hydrolase | Authors: | Floor, R.J, Wijma, H.J, Jekel, P.A, Terwisscha van Scheltinga, A.C, Dijkstra, B.W, Janssen, D.B. | Deposit date: | 2014-09-05 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic validation of structure predictions used in computational design for protein stabilization. Proteins, 83, 2015
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6YRA
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![BU of 6yra by Molmil](/molmil-images/mine/6yra) | |
6Z1X
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![BU of 6z1x by Molmil](/molmil-images/mine/6z1x) | |
6Z1W
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1MPX
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![BU of 1mpx by Molmil](/molmil-images/mine/1mpx) | ALPHA-AMINO ACID ESTER HYDROLASE LABELED WITH SELENOMETHIONINE | Descriptor: | CALCIUM ION, GLYCEROL, alpha-amino acid ester hydrolase | Authors: | Barends, T.R.M, Polderman-Tijmes, J.J, Jekel, P.A, Hensgens, C.M.H, de Vries, E.J, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2002-09-13 | Release date: | 2003-04-15 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The sequence and crystal structure of the alpha-amino acid ester hydrolase from Xanthomonas citri define a new family of beta-lactam antibiotic acylases. J.Biol.Chem., 278, 2003
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8BIT
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![BU of 8bit by Molmil](/molmil-images/mine/8bit) | Crystal structure of acyl-CoA synthetase from Metallosphaera sedula in complex with Coenzyme A and acetyl-AMP | Descriptor: | 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 | Authors: | Capra, N, Thunnissen, A.M.W.H, Janssen, D.B. | Deposit date: | 2022-11-02 | Release date: | 2023-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering Front Catal, 4, 2024
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8BIQ
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![BU of 8biq by Molmil](/molmil-images/mine/8biq) | Crystal structure of acyl-COA synthetase from Metallosphaera sedula in complex with acetyl-AMP | Descriptor: | 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 | Authors: | Capra, N, Thunnissen, A.M.W.H, Janssen, D.B. | Deposit date: | 2022-11-02 | Release date: | 2023-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering Front Catal, 4, 2024
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1FXH
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![BU of 1fxh by Molmil](/molmil-images/mine/1fxh) | MUTANT OF PENICILLIN ACYLASE IMPAIRED IN CATALYSIS WITH PHENYLACETIC ACID IN THE ACTIVE SITE | Descriptor: | 2-PHENYLACETIC ACID, CALCIUM ION, PENICILLIN ACYLASE | Authors: | 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. | Deposit date: | 2000-09-26 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Characterization of the beta-lactam binding site of penicillin acylase of Escherichia coli by structural and site-directed mutagenesis studies. Protein Eng., 13, 2000
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1FXV
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![BU of 1fxv by Molmil](/molmil-images/mine/1fxv) | PENICILLIN ACYLASE MUTANT IMPAIRED IN CATALYSIS WITH PENICILLIN G IN THE ACTIVE SITE | Descriptor: | CALCIUM ION, PENICILLIN ACYLASE, PENICILLIN G | Authors: | 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. | Deposit date: | 2000-09-27 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Characterization of the beta-lactam binding site of penicillin acylase of Escherichia coli by structural and site-directed mutagenesis studies. Protein Eng., 13, 2000
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4CQ5
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![BU of 4cq5 by Molmil](/molmil-images/mine/4cq5) | Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PHENYLALANINE AMINOMUTASE, ... | Authors: | Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2014-02-11 | Release date: | 2014-05-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis. Biochemistry, 53, 2014
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4C5U
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![BU of 4c5u by Molmil](/molmil-images/mine/4c5u) | Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis | Descriptor: | PHENYLALANINE AMMONIA-LYASE | Authors: | Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2013-09-16 | Release date: | 2014-05-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis. Biochemistry, 53, 2014
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4C6G
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![BU of 4c6g by Molmil](/molmil-images/mine/4c6g) | Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis | Descriptor: | PHENYLALANINE AMMONIA-LYASE | Authors: | Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2013-09-18 | Release date: | 2014-05-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis. Biochemistry, 53, 2014
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4IXT
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![BU of 4ixt by Molmil](/molmil-images/mine/4ixt) | Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) bound to ethyl (R)-4-cyano-3-hydroxybutyrate | Descriptor: | CHLORIDE ION, Halohydrin dehalogenase, ethyl (3R)-4-cyano-3-hydroxybutanoate | Authors: | Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B. | Deposit date: | 2013-01-28 | Release date: | 2013-02-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase. Chembiochem, 14, 2013
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4IXW
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![BU of 4ixw by Molmil](/molmil-images/mine/4ixw) | Halohydrin dehalogenase (HheC) bound to ethyl (2S)-oxiran-2-ylacetate | Descriptor: | CHLORIDE ION, Halohydrin dehalogenase, ethyl (2S)-oxiran-2-ylacetate | Authors: | Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B. | Deposit date: | 2013-01-28 | Release date: | 2013-02-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase. Chembiochem, 14, 2013
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1ZMO
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![BU of 1zmo by Molmil](/molmil-images/mine/1zmo) | Apo structure of haloalcohol dehalogenase HheA of Arthrobacter sp. AD2 | Descriptor: | halohydrin dehalogenase | Authors: | de Jong, R.M, Kalk, K.H, Tang, L, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2005-05-10 | Release date: | 2006-04-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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1ZO8
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![BU of 1zo8 by Molmil](/molmil-images/mine/1zo8) | 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 | Descriptor: | (S)-PARA-NITROSTYRENE OXIDE, halohydrin dehalogenase | Authors: | de Jong, R.M, Tiesinga, J.J.W, Tang, L, Villa, A, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2005-05-12 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for the Enantioselectivity of an Epoxide Ring Opening Reaction Catalyzed by Halo Alcohol Dehalogenase HheC. J.Am.Chem.Soc., 127, 2005
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1ZMT
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![BU of 1zmt by Molmil](/molmil-images/mine/1zmt) | 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 | Descriptor: | (R)-PARA-NITROSTYRENE OXIDE, Haloalcohol dehalogenase HheC | Authors: | de Jong, R.M, Tiesinga, J.J.W, Villa, A, Tang, L, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2005-05-10 | Release date: | 2005-10-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for the Enantioselectivity of an Epoxide Ring Opening Reaction Catalyzed by Halo Alcohol Dehalogenase HheC. J.Am.Chem.Soc., 127, 2005
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4IY1
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![BU of 4iy1 by Molmil](/molmil-images/mine/4iy1) | Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) with chloride bound | Descriptor: | CHLORIDE ION, Halohydrin dehalogenase | Authors: | Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B. | Deposit date: | 2013-01-28 | Release date: | 2013-02-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase. Chembiochem, 14, 2013
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5OX2
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1PWX
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![BU of 1pwx by Molmil](/molmil-images/mine/1pwx) | Crystal structure of the haloalcohol dehalogenase HheC complexed with bromide | Descriptor: | BROMIDE ION, halohydrin dehalogenase | Authors: | de Jong, R.M, Tiesinga, J.J.W, Rozeboom, H.J, Kalk, K.H, Tang, L, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2003-07-02 | Release date: | 2003-10-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and Mechanism of a Bacterial Haloalcohol Dehalogenase: a new variation of the short-chain dehydrogenase/reductase fold without an NAD(P)H binding site EMBO J., 22, 2003
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