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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

8D1D

PROSS PETase
Descriptor:	CALCIUM ION, Poly(ethylene terephthalate) hydrolase
Authors:	Vongsouthi, V, Jackson, C.J, Tan, L.
Deposit date:	2022-05-27
Release date:	2022-09-21
Last modified:	2023-10-18
Method:	X-RAY DIFFRACTION (1.42 Å)
Cite:	PROSS PETase To Be Published

5IVI

The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated enzyme qFit multi-conformer model
Descriptor:	Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
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 (1.53 Å)
Cite:	Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography. Structure, 24, 2016

5IVK

The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated-enzyme ensemble refinement
Descriptor:	Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
Authors:	Correy, G.J, Jackson, C.J.
Deposit date:	2016-03-21
Release date:	2016-06-22
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

5JAB

Structure of the biliverdin reductase Rv2074 from Mycobacterium tuberculosis in complex with F420
Descriptor:	Biliverdin reductase Rv2074, CHLORIDE ION, COENZYME F420-3
Authors:	Ahmed, F.H, Carr, P.D, Jackson, C.J.
Deposit date:	2016-04-12
Release date:	2016-07-13
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (1.65 Å)
Cite:	Rv2074 is a novel F420 H2 -dependent biliverdin reductase in Mycobacterium tuberculosis. Protein Sci., 25, 2016

5IVH

The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: apo-enzyme ensemble refinement
Descriptor:	Carboxylic ester hydrolase
Authors:	Correy, G.J, Jackson, C.J.
Deposit date:	2016-03-20
Release date:	2016-06-22
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

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

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:	2024-10-16
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

8E07

Crystal structure of HPSE P6 in complex with triose pentosan inhibitor
Descriptor:	2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, AMMONIUM ION, ...
Authors:	Whitefield, C, Jackson, C.J.
Deposit date:	2022-08-08
Release date:	2023-07-12
Last modified:	2023-11-15
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Complex Inhibitory Mechanism of Glycomimetics with Heparanase. Biochemistry, 62, 2023

8E08

Crystal structure of HPSE P6 in complex with tetraose pentosan inhibitor
Descriptor:	2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, Heparanase 50 kDa subunit, ...
Authors:	Whitefield, C, Jackson, C.J.
Deposit date:	2022-08-08
Release date:	2023-07-12
Last modified:	2023-10-25
Method:	X-RAY DIFFRACTION (1.93 Å)
Cite:	Complex Inhibitory Mechanism of Glycomimetics with Heparanase. Biochemistry, 62, 2023

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

8E5I

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

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

5T0W

Crystal structure of the ancestral amino acid-binding protein AncCDT-1, a precursor of cyclohexadienyl dehydratase
Descriptor:	ARGININE, AncCDT-1
Authors:	Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:	2016-08-16
Release date:	2017-09-06
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (2.59 Å)
Cite:	To be published To Be Published

5THM

Esterase-6 from Drosophila melanogaster
Descriptor:	Esterase-6, N,N-dimethylboranamine
Authors:	Fraser, N.J, Jackson, C.J.
Deposit date:	2016-09-29
Release date:	2017-03-08
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (2.15 Å)
Cite:	Molecular basis for the behavioral effects of the odorant degrading enzyme Esterase 6 in Drosophila. Sci Rep, 7, 2017

5TYP

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

5TUJ

Ancestral Cationic Amino Acid Solute Binding Protein (AncCDT-1)
Descriptor:	Ancestral protein CDT-Anc1
Authors:	Kaczmarski, J.A, Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:	2016-11-06
Release date:	2017-12-06
Last modified:	2024-03-06
Method:	X-RAY DIFFRACTION (3.352 Å)
Cite:	Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein. Nat. Chem. Biol., 14, 2018

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:	2024-10-09
Method:	X-RAY DIFFRACTION (1.531 Å)
Cite:	Overcoming insecticide resistance through computational inhibitor design. Proc.Natl.Acad.Sci.USA, 116, 2019

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

5TYM

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 (1.84 Å)
Cite:	Overcoming insecticide resistance through computational inhibitor design. Proc.Natl.Acad.Sci.USA, 116, 2019

5TYK

alpha-esterase-7 in complex with 3-chloro-4-[(2-fluorophenyl)methoxy]phenylborinic acid
Descriptor:	Carboxylic ester hydrolase, {3-chloro-4-[(2-fluorophenyl)methoxy]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 (1.65 Å)
Cite:	Overcoming insecticide resistance through computational inhibitor design. Proc.Natl.Acad.Sci.USA, 116, 2019

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

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