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PDB: 184 results
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
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
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
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
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
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
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
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
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
5T0W
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BU of 5t0w by Molmil
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
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
5THM
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BU of 5thm by Molmil
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
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
5TYO
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BU of 5tyo by Molmil
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
5TYK
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BU of 5tyk by Molmil
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
5TUJ
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BU of 5tuj by Molmil
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
5TYN
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BU of 5tyn by Molmil
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
5TYM
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BU of 5tym by Molmil
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
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BU of 5typ by Molmil
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
6N4A
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BU of 6n4a by Molmil
PII-like SbtB from Cyanobium sp PCC 7001 (apo)
Descriptor: PHOSPHATE ION, PII-like SbtB
Authors:Kaczmarski, J.A, Jackson, C.J.
Deposit date:2018-11-18
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
7R6O
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BU of 7r6o by Molmil
Pyrrolysyl-tRNA synthetase from methanogenic archaeon ISO4-G1 (G1PylRS)
Descriptor: 1,2-ETHANEDIOL, Pyrrolysyl-tRNA synthetase PylS, SULFATE ION
Authors:Frkic, R.L, Huber, T, Jackson, C.J.
Deposit date:2021-06-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Genetic Encoding of Cyanopyridylalanine for In-Cell Protein Macrocyclization by the Nitrile-Aminothiol Click Reaction.
Angew.Chem.Int.Ed.Engl., 61, 2022
7RNW
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BU of 7rnw by Molmil
SARS-CoV-2 Main Protease in complex with a cyclic peptide inhibitor
Descriptor: 3C-like proteinase, ACE-DTY-LEU-GLN-TYR-ALA-VAL-LEU-ARG-HIS-LYS-ARG-ARG-GLU-SEC
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2021-07-30
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antiviral cyclic peptides targeting the main protease of SARS-CoV-2.
Chem Sci, 13, 2022
5KKW
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BU of 5kkw by Molmil
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
3A3X
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BU of 3a3x by Molmil
Structure of OpdA mutant (G60A/A80V/R118Q/K185R/Q206P/D208G/I260T/G273S)
Descriptor: COBALT (II) ION, Phosphotriesterase
Authors:Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K.
Deposit date:2009-06-23
Release date:2010-01-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
3A4J
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BU of 3a4j by Molmil
arPTE (K185R/D208G/N265D/T274N)
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, Phosphotriesterase
Authors:Foo, J.L, Jackson, C.J, Carr, P.D, Ollis, D.L.
Deposit date:2009-07-07
Release date:2010-01-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009

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