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7XEF
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BU of 7xef by Molmil
Crystal Structure of the Y53F/N55A mutant of LEH complexed with (R)-(1-benzyl-3-phenylpyrrolidin-3-yl)methanol
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Limonene-1,2-epoxide hydrolase, ...
Authors:Qu, G, Li, X, Sun, Z.T.
Deposit date:2022-03-31
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.816 Å)
Cite:Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
7XEE
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BU of 7xee by Molmil
Crystal Structure of the Y53F/N55A mutant of LEH complexed with 2-(3-phenyloxetan-3-yl)ethanamine
Descriptor: 1,2-ETHANEDIOL, 2-(3-phenyloxetan-3-yl)ethanamine, Limonene-1,2-epoxide hydrolase, ...
Authors:Qu, G, Li, X, Sun, Z.T.
Deposit date:2022-03-31
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.877 Å)
Cite:Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
7VX2
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BU of 7vx2 by Molmil
Crystal Structure of the Y53F/N55A/I80F/L114V/I116V mutant of LEH
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D.
Deposit date:2021-11-12
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.485 Å)
Cite:Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
7VWM
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BU of 7vwm by Molmil
Crystal Structure of the Y53F/N55A/I116V mutant of LEH
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D.
Deposit date:2021-11-11
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
7VWD
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BU of 7vwd by Molmil
Crystal Structure of the Y53F/N55A mutant of LEH
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D.
Deposit date:2021-11-10
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
5YQT
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BU of 5yqt by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z.T, Wu, L, Reetz, M.T, Zhou, J.H, Xu, J.H.
Deposit date:2017-11-07
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
5YNG
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BU of 5yng by Molmil
Crystal structure of SZ348 in complex with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ...
Authors:Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
Deposit date:2017-10-24
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
5YAO
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BU of 5yao by Molmil
The complex structure of SZ529 and expoxid
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, SODIUM ION
Authors:Lian, W, Sun, Z.T, Zhou, J.H, Reetz, M.T.
Deposit date:2017-09-01
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.611 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations
J. Am. Chem. Soc., 140, 2018
5JPU
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BU of 5jpu by Molmil
Structure of limonene epoxide hydrolase mutant - H-2-H5 complex with (S,S)-cyclohexane-1,2-diol
Descriptor: (1S,2S)-cyclohexane-1,2-diol, limonene epoxide hydrolase
Authors:Li, G, Zhang, H, Sun, Z, Liu, X, Reetz, M.T.
Deposit date:2016-05-04
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase
To be published
5JPP
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BU of 5jpp by Molmil
Structure of limonene epoxide hydrolase mutant - H-2-H5
Descriptor: limonene epoxide hydrolase
Authors:Li, G, Zhang, H, Sun, Z, Liu, X, Reetz, M.T.
Deposit date:2016-05-04
Release date:2016-06-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase
To be published
5GKW
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BU of 5gkw by Molmil
crystal structure of SZ529 complex with (R,R)-cyclopentanediol
Descriptor: (1~{R},2~{R})-cyclopentane-1,2-diol, Limonene-1,2-epoxide hydrolase
Authors:Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
Deposit date:2016-07-07
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:crystal structure of SZ529 complex with (R,R)-cyclopentanediol
To Be Published
5CLK
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BU of 5clk by Molmil
Crystal structure of SZ348 in complex with S,S-cyclohexanediol
Descriptor: (1S,2S)-cyclohexane-1,2-diol, CHLORIDE ION, Limonene-1,2-epoxide hydrolase, ...
Authors:Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
Deposit date:2015-07-16
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Crystal structure of SZ348 in complex with S,S-cyclohexanediol
To Be Published
5CK6
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BU of 5ck6 by Molmil
Crystal structure of SZ348 in complex with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, NICKEL (II) ION, ...
Authors:Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
Deposit date:2015-07-15
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of SZ348 in complex with cyclopentene oxide
To Be Published
5CF2
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BU of 5cf2 by Molmil
Crystal Structure of the I80Y/L114V/I116V mutant of LEH
Descriptor: Limonene-1,2-epoxide hydrolase
Authors:Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
Deposit date:2015-07-08
Release date:2016-07-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of the I80Y/L114V/I116V mutant of LEH
To Be Published
5CF1
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BU of 5cf1 by Molmil
Crystal Structure of the M32V/M78V/I80V/L114F mutant of LEH
Descriptor: Limonene-1,2-epoxide hydrolase
Authors:Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
Deposit date:2015-07-08
Release date:2016-07-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.242 Å)
Cite:Crystal Structure of the M32V/M78V/I80V/L114F mutant of LEH
To Be Published
4XDW
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BU of 4xdw by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH
Descriptor: Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J.
Deposit date:2014-12-20
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XDV
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BU of 4xdv by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclohexanediol
Descriptor: (1R,2R)-cyclohexane-1,2-diol, Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J.
Deposit date:2014-12-20
Release date:2015-07-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XBY
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BU of 4xby by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J.
Deposit date:2014-12-17
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XBX
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BU of 4xbx by Molmil
Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH
Descriptor: Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J.
Deposit date:2014-12-17
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XBT
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BU of 4xbt by Molmil
Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH complexed with (S,S)-cyclohexanediol
Descriptor: (1S,2S)-cyclohexane-1,2-diol, CITRATE ANION, Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J.
Deposit date:2014-12-17
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4R9L
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BU of 4r9l by Molmil
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
4R9K
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BU of 4r9k by Molmil
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
2BNG
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BU of 2bng by Molmil
Structure of an M.tuberculosis LEH-like epoxide hydrolase
Descriptor: CALCIUM ION, MB2760
Authors:Johansson, P, Arand, M, Unge, T, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2005-03-24
Release date:2005-08-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of an Atypical Epoxide Hydrolase from Mycobacterium Tuberculosis Gives Insights Into its Function.
J.Mol.Biol., 351, 2005
1NWW
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BU of 1nww by Molmil
Limonene-1,2-epoxide hydrolase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HEPTANAMIDE, Limonene-1,2-epoxide hydrolase
Authors:Arand, M, Hallberg, B.M, Zou, J, Bergfors, T, Oesch, F, van der Werf, M.J, de Bont, J.A.M, Jones, T.A, Mowbray, S.L.
Deposit date:2003-02-07
Release date:2003-06-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure of Rhodococcus erythropolis limonene-1,2-epoxide hydrolase reveals a novel active site
EMBO J., 22, 2003
1NU3
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BU of 1nu3 by Molmil
Limonene-1,2-epoxide hydrolase in complex with valpromide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-PROPYLPENTANAMIDE, limonene-1,2-epoxide hydrolase
Authors:Arand, M, Hallberg, B.M, Zou, J, Bergfors, T, Oesch, F, van der Werf, M.J, de Bont, J.A.M, Jones, T.A, Mowbray, S.L.
Deposit date:2003-01-30
Release date:2003-06-10
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of Rhodococcus erythropolis limonene-1,2-epoxide hydrolase reveals a novel active site
EMBO J., 22, 2003

217705

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