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KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 9.26 MGy
Descriptor:	DIETHYL HYDROGEN PHOSPHATE, E3
Authors:	Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G.
Deposit date:	2014-08-13
Release date:	2015-08-19
Last modified:	2023-11-08
Method:	X-RAY DIFFRACTION (2.36 Å)
Cite:	Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography Structure, 24, 2016

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

8F9Y

SAL1 from Arabidopsis thaliana
Descriptor:	MAGNESIUM ION, PHOSPHATE ION, SAL1 phosphatase
Authors:	Frkic, R.L, Kaczmarski, J.A, Tan, L, Jackson, C.J.
Deposit date:	2022-11-24
Release date:	2023-01-18
Last modified:	2024-05-22
Method:	X-RAY DIFFRACTION (2.6 Å)
Cite:	Sensing and signaling of oxidative stress in chloroplasts by inactivation of the SAL1 phosphoadenosine phosphatase. Proc.Natl.Acad.Sci.USA, 113, 2016

6C8B

Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 23 round 6
Descriptor:	Kemp eliminase KE07
Authors:	Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:	2018-01-24
Release date:	2018-08-01
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.61 Å)
Cite:	The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018

6C7T

Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 20 round 5
Descriptor:	Kemp Eliminase KE07
Authors:	Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:	2018-01-23
Release date:	2018-08-01
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.83 Å)
Cite:	The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018

6CAI

Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 24 round 7
Descriptor:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Kemp Eliminase KE07
Authors:	Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:	2018-01-30
Release date:	2018-08-01
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.82 Å)
Cite:	The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018

6CT3

Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 27 round 7-2
Descriptor:	5-nitro-2-oxidanyl-benzenecarbonitrile, GLYCEROL, Kemp eliminase, ...
Authors:	Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:	2018-03-22
Release date:	2018-08-01
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.9 Å)
Cite:	The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018

6C7H

Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 18 Design Trp50Ala mutant
Descriptor:	Kemp eliminase KE07
Authors:	Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:	2018-01-22
Release date:	2018-08-01
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (2.43 Å)
Cite:	The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018

6C7M

Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 19 round 5
Descriptor:	(4S)-2-METHYL-2,4-PENTANEDIOL, Kemp Eliminase KE07
Authors:	Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:	2018-01-22
Release date:	2018-08-01
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.45 Å)
Cite:	The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018

6C7V

Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 22 round 5
Descriptor:	Kemp eliminase KE07
Authors:	Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:	2018-01-23
Release date:	2018-08-01
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (1.64 Å)
Cite:	The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018

6DKV

Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 21 round 5
Descriptor:	5-nitro-2-oxidanyl-benzenecarbonitrile, DI(HYDROXYETHYL)ETHER, Kemp eliminase KE07
Authors:	Jackson, C.J, Hong, N.-S, Carr, P.D.
Deposit date:	2018-05-30
Release date:	2018-08-01
Last modified:	2023-10-11
Method:	X-RAY DIFFRACTION (1.89 Å)
Cite:	The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018

5IKX

Crystal structure of the alpha-esterase-7 carboxyl esterase (dimer), E3, from Lucilia cuprina
Descriptor:	Carboxylic ester hydrolase
Authors:	Jackson, C, Fraser, N.
Deposit date:	2016-03-04
Release date:	2016-06-22
Last modified:	2023-09-27
Method:	X-RAY DIFFRACTION (2.19 Å)
Cite:	Evolution of Protein Quaternary Structure in Response to Selective Pressure for Increased Thermostability. J.Mol.Biol., 428, 2016

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

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

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

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

5V3B

Human A20 OTU domain (WT) with acetamidylated C103
Descriptor:	Tumor necrosis factor alpha-induced protein 3
Authors:	Langley, D.B, Christ, D, Grey, S.
Deposit date:	2017-03-07
Release date:	2018-03-21
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (3 Å)
Cite:	Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity. Nat.Immunol., 20, 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

5V3P

Human A20 OTU domain (I325N) with acetamidylated C103
Descriptor:	Tumor necrosis factor alpha-induced protein 3
Authors:	Langley, D.B, Christ, D, Grey, S.
Deposit date:	2017-03-07
Release date:	2018-03-21
Last modified:	2023-10-04
Method:	X-RAY DIFFRACTION (2.5 Å)
Cite:	Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity. Nat.Immunol., 20, 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

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Total results:	48
Displayed results:	23
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