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Old Yellow Enzyme 1 (NpOYE1) from Neptuniibacter sp.
Descriptor:	1,2-ETHANEDIOL, Alkene reductase, DI(HYDROXYETHYL)ETHER, ...
Authors:	Frkic, R.L, Jackson, C.J.
Deposit date:	2022-08-22
Release date:	2023-08-30
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Old Yellow Enzyme 1 (NpOYE1) from Neptuniibacter sp. To Be Published

8E5H

Old Yellow Enzyme 5 (PcOYE5) from Pseudomonas chloritidismutans
Descriptor:	1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, NADH:flavin oxidoreductase
Authors:	Frkic, R.L, Jackson, C.J.
Deposit date:	2022-08-22
Release date:	2023-08-30
Method:	X-RAY DIFFRACTION (1.27 Å)
Cite:	Old Yellow Enzyme 5 (PcOYE5) from Pseudomonas chloritidismutans To Be Published

4UAM

1.8 Angstrom crystal structure of IMP-1 metallo-beta-lactamase with a mixed iron-zinc center in the active site
Descriptor:	CITRATE ANION, FE (III) ION, IMP-1 metallo-beta-lactamase, ...
Authors:	Carruthers, T.J, Carr, P.D, Jackson, C.J, Otting, G.
Deposit date:	2014-08-11
Release date:	2014-09-17
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Iron(III) Located in the Dinuclear Metallo-beta-Lactamase IMP-1 by Pseudocontact Shifts. Angew.Chem.Int.Ed.Engl., 53, 2014

5TYO

alpha-esterase-7 in complex with [3-(benzyloxy)-4-methylphenyl]borinic acid
Descriptor:	Carboxylic ester hydrolase, [3-(benzyloxy)-4-methylphenyl]borinic 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 (1.57 Å)
Cite:	Overcoming insecticide resistance through computational inhibitor design. Proc.Natl.Acad.Sci.USA, 116, 2019

5TYN

alpha-esterase-7 in complex with [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid
Descriptor:	Carboxylic ester hydrolase, [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic 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 (1.531 Å)
Cite:	Overcoming insecticide resistance through computational inhibitor design. Proc.Natl.Acad.Sci.USA, 116, 2019

5W1U

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

5W6B

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

5WCW

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

5W7H

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

5WJ0

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

5WCQ

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

5WIZ

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

5WCP

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

5WCR

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

5TYL

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

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

5WJP

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

5WMS

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

6C2C

The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme
Descriptor:	DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ...
Authors:	Hong, N.-S, Jackson, C.J, Carr, P.D, Tokuriki, N, Baier, F, Yang, G.
Deposit date:	2018-01-08
Release date:	2019-01-16
Last modified:	2024-03-13
Method:	X-RAY DIFFRACTION (1.597 Å)
Cite:	Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme. Nat.Chem.Biol., 15, 2019

8THM

Beta carbonic anhydrase from the carboxysome of Cyanobium PCC 7001
Descriptor:	1,2-ETHANEDIOL, BICARBONATE ION, CARBON DIOXIDE, ...
Authors:	Pulsford, S.B, Jackson, C.J.
Deposit date:	2023-07-17
Release date:	2023-08-09
Last modified:	2024-05-22
Method:	X-RAY DIFFRACTION (2.3 Å)
Cite:	Alpha-cyanobacterial carbonic anhydrase is allosterically regulated by the Rubisco substrate Ribulose 1,5-bisphosphate (RuBP) To Be Published

5JV4

Structure of F420 binding protein, MSMEG_6526, from Mycobacterium smegmatis with F420 bound
Descriptor:	(4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COENZYME F420, ...
Authors:	Lee, B.M, Carr, P.D, Jackson, C.J.
Deposit date:	2016-05-10
Release date:	2017-08-09
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (1.7 Å)
Cite:	Structure of F420 binding protein, MSMEG_6526, from Mycobacterium smegmatis with F420 bound To Be Published

5JOS

Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-3(P188L).
Descriptor:	BENZOIC ACID, CITRIC ACID, Cyclohexadienyl dehydratase, ...
Authors:	Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:	2016-05-03
Release date:	2017-05-03
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2.1 Å)
Cite:	To be published To Be Published

5KKW

Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)
Descriptor:	3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, Cyclohexadienyl dehydratase, SULFATE ION
Authors:	Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:	2016-06-22
Release date:	2017-07-05
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (1.88 Å)
Cite:	Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate) To Be Published

6AML

Phosphotriesterase variant S8
Descriptor:	(4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:	Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:	2017-08-09
Release date:	2018-08-08
Last modified:	2023-11-15
Method:	X-RAY DIFFRACTION (1.46 Å)
Cite:	Phosphotriesterase variant S8 To Be Published

5IVD

The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: apo-enzyme qFit multi-conformer model
Descriptor:	Carboxylic ester hydrolase
Authors:	Correy, G.J, Jackson, C.J.
Deposit date:	2016-03-20
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

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