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6BHL
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BU of 6bhl by Molmil
Phosphotriesterase variant S5deltaL7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-10-30
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Phosphotriesterase variant S5deltaL7
To Be Published
5W6B
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BU of 5w6b by Molmil
Phosphotriesterase variant S1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-06-16
Release date:2018-12-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.739 Å)
Cite:Phosphotriesterase variant S1
To Be Published
5W7H
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BU of 5w7h by Molmil
Supercharged arPTE variant R5
Descriptor: Phosphotriesterase, ZINC ION
Authors:Campbell, E, Grant, J, Wang, Y, Sandhu, M, Williams, R.J, Nisbet, D.R, Perriman, A, Lupton, D, Jackson, C.J.
Deposit date:2017-06-19
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Hydrogel-Immobilized Supercharged Proteins
Adv Biosyst, 2018
6BM9
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BU of 6bm9 by Molmil
Directed evolutionary changes in MBL super family - VIM-2 Round 10
Descriptor: GLYCEROL, Metallo-beta-lactamase, ZINC ION
Authors:Hong, N.-S, Jackson, C.J, Carr, P.D.
Deposit date:2017-11-13
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Cryptic genetic variation shapes the adaptive evolutionary potential of enzymes.
Elife, 8, 2019
5WCW
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BU of 5wcw by Molmil
Phosphotriesterase variant S3
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-07-02
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.457 Å)
Cite:Phosphotriesterase variant S4
To Be Published
6BQE
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BU of 6bqe by Molmil
Low-resolution structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa in space group P4322.
Descriptor: ACETATE ION, Arogenate dehydratase
Authors:Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2017-11-27
Release date:2017-12-13
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
4E3T
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BU of 4e3t by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase with Bound Transition State Analog
Descriptor: Phosphotriesterase, ZINC ION, hexyl(naphthalen-2-yloxy)phosphinic acid
Authors:Tokuriki, N, Jackson, C.J, Tawfik, D.S.
Deposit date:2012-03-10
Release date:2013-01-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
5WCQ
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BU of 5wcq by Molmil
Phosphotriesterase variant S2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-07-01
Release date:2018-07-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:Phosphotriesterase variant S2
To Be Published
5TYL
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BU of 5tyl by Molmil
alpha-esterase-7 in complex with naphthalen-2-ylboronic acid
Descriptor: Carboxylic ester hydrolase, naphthalen-2-ylboronic acid
Authors:Correy, G.J, Jackson, C.J.
Deposit date:2016-11-21
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
5TYJ
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BU of 5tyj by Molmil
alpha-esterase-7 in complex with (3-bromo-5-phenoxylphenyl)boronic acid
Descriptor: (3-bromo-5-phenoxyphenyl)boronic acid, Carboxylic ester hydrolase
Authors:Correy, G.J, Jackson, C.J.
Deposit date:2016-11-20
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
5WJ0
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BU of 5wj0 by Molmil
Phosphotriesterase variant S5+254R
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-07-21
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Phosphotriesterase variant S5+254R
To Be Published
5WCP
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BU of 5wcp by Molmil
Phosphotriesterase variant S7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-07-01
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Phosphotriesterase variant S7
To Be Published
5WMS
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BU of 5wms by Molmil
Phosphotriesterase variant S7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-07-31
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Phosphotriesterase variant S7
To Be Published
5W1U
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BU of 5w1u by Molmil
Culex quinquefasciatus carboxylesterase B2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carboxylic ester hydrolase, MALONATE ION
Authors:Hopkins, D.H, Jackson, C.J.
Deposit date:2017-06-04
Release date:2017-08-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of an Insecticide Sequestering Carboxylesterase from the Disease Vector Culex quinquefasciatus: What Makes an Enzyme a Good Insecticide Sponge?
Biochemistry, 56, 2017
5WJP
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BU of 5wjp by Molmil
Crystal structure of the cyclohexadienyl dehydratase-like solute-binding protein SAR11_1068 from Candidatus Pelagibacter ubique.
Descriptor: Cyclohexadienyl dehydratase
Authors:Clifton, B.E, Jackson, C.J.
Deposit date:2017-07-24
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
5WCR
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BU of 5wcr by Molmil
Phosphotriesterase variant R0deltaL7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R0, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-07-01
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Phosphotriesterase variant R0deltaL7
To Be Published
5WIZ
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BU of 5wiz by Molmil
Phosphotriesterase variant S5
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-07-21
Release date:2019-01-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Phosphotriesterase variant S5
To Be Published
4PCP
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BU of 4pcp by Molmil
Crystal structure of Phosphotriesterase variant R0
Descriptor: CACODYLATE ION, Phosphotriesterase variant PTE-R0, ZINC ION
Authors:Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
Deposit date:2014-04-16
Release date:2015-05-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
4PBE
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BU of 4pbe by Molmil
Phosphotriesterase Variant Rev6
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-revR6, ...
Authors:Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
Deposit date:2014-04-12
Release date:2015-05-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
4PBF
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BU of 4pbf by Molmil
Phosphotriesterase variant Rev12
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-revR12, ...
Authors:Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
Deposit date:2014-04-12
Release date:2015-05-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
5DQ6
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BU of 5dq6 by Molmil
Mus musculus A20 OTU domain
Descriptor: Tumor necrosis factor alpha-induced protein 3
Authors:Mabbitt, P.D, Jackson, C.J.
Deposit date:2015-09-14
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mus musculus A20 OTU domain
To Be Published
5EH9
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BU of 5eh9 by Molmil
Indirect contributions of mutations underlie optimization of new enzyme function
Descriptor: 2-HYDROXYETHYL DISULFIDE, GLYCEROL, N-acyl homoserine lactonase AiiA, ...
Authors:Hong, N.-S, Jackson, C.J, Tokuriki, N, Yang, G, Baier, F.
Deposit date:2015-10-28
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects.
Biochemistry, 55, 2016
5CH3
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BU of 5ch3 by Molmil
E3 alpha-esterase-7 carboxylesterase
Descriptor: Carboxylic ester hydrolase
Authors:Correy, G, Mabbitt, P, Jackson, C.J.
Deposit date:2015-07-10
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5CH5
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BU of 5ch5 by Molmil
E3 alpha-esterase-7 carboxylesterase
Descriptor: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
Authors:Correy, G, Mabbitt, P, Jackson, C.J.
Deposit date:2015-07-10
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5C8V
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BU of 5c8v by Molmil
Lucilia cuprina alpha esterase 7: Gly137Asp
Descriptor: Carboxylic ester hydrolase
Authors:Correy, G.J, Mabbitt, P.D, Jackson, C.J.
Deposit date:2015-06-26
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Conformational Disorganization within the Active Site of a Recently Evolved Organophosphate Hydrolase Limits Its Catalytic Efficiency.
Biochemistry, 55, 2016

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