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2OB3
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BU of 2ob3 by Molmil
Structure of Phosphotriesterase mutant H257Y/L303T
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Parathion hydrolase, ZINC ION
Authors:Kim, J, Ramagopal, U.A, Tsai, P, Raushel, F.M, Almo, S.C.
Deposit date:2006-12-18
Release date:2007-01-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Structure of Phosphotriesterase mutant H257Y/L303T
To be Published
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
1HZY
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BU of 1hzy by Molmil
HIGH RESOLUTION STRUCTURE OF THE ZINC-CONTAINING PHOSPHOTRIESTERASE FROM PSEUDOMONAS DIMINUTA
Descriptor: 1,2-ETHANEDIOL, 2-PHENYL-ETHANOL, FORMIC ACID, ...
Authors:Holden, H.M, Benning, M.M, Raushel, F.M, Shim, H.
Deposit date:2001-01-26
Release date:2001-04-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High resolution X-ray structures of different metal-substituted forms of phosphotriesterase from Pseudomonas diminuta.
Biochemistry, 40, 2001
1I0B
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BU of 1i0b by Molmil
HIGH RESOLUTION STRUCTURE OF THE MANGANESE-CONTAINING PHOSPHOTRIESTERASE FROM PSEUDOMONAS DIMINUTA
Descriptor: 1,2-ETHANEDIOL, 2-PHENYL-ETHANOL, FORMIC ACID, ...
Authors:Holden, H.M, Benning, M.M, Raushel, F.M, Shim, H.
Deposit date:2001-01-29
Release date:2001-04-04
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High resolution X-ray structures of different metal-substituted forms of phosphotriesterase from Pseudomonas diminuta.
Biochemistry, 40, 2001
1I0D
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BU of 1i0d by Molmil
HIGH RESOLUTION STRUCTURE OF THE ZINC/CADMIUM-CONTAINING PHOSPHOTRIESTERASE FROM PSEUDOMONAS DIMINUTA
Descriptor: 1,2-ETHANEDIOL, 2-PHENYL-ETHANOL, CADMIUM ION, ...
Authors:Holden, H.M, Benning, M.M, Raushel, F.M, Shim, H.
Deposit date:2001-01-29
Release date:2001-04-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High resolution X-ray structures of different metal-substituted forms of phosphotriesterase from Pseudomonas diminuta.
Biochemistry, 40, 2001
1JGM
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BU of 1jgm by Molmil
High Resolution Structure of the Cadmium-containing Phosphotriesterase from Pseudomonas diminuta
Descriptor: 1,2-ETHANEDIOL, 2-PHENYL-ETHANOL, CADMIUM ION, ...
Authors:Benning, M.M, Shim, H, Raushel, F.M, Holden, H.M.
Deposit date:2001-06-26
Release date:2001-07-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High resolution X-ray structures of different metal-substituted forms of phosphotriesterase from Pseudomonas diminuta.
Biochemistry, 40, 2001
5VEJ
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BU of 5vej by Molmil
High resolution crystal structure of a fluoride-inhibited organo-phosphate-degrading metallohydrolase
Descriptor: ACETATE ION, COBALT (II) ION, FLUORIDE ION, ...
Authors:Selleck, C.
Deposit date:2017-04-04
Release date:2017-07-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:High resolution crystal structure of a fluoride-inhibited organophosphate-degrading metallohydrolase.
J. Inorg. Biochem., 177, 2017
8P7U
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BU of 8p7u by Molmil
The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes
Descriptor: 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ...
Authors:Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L.
Deposit date:2023-05-31
Release date:2023-10-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase.
Acta Crystallogr D Struct Biol, 79, 2023
5VRK
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BU of 5vrk by Molmil
Crystal structure of SsoPox AsA6 mutant (F46L-C258A-W263M-I280T) - open form
Descriptor: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
Authors:Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M.
Deposit date:2017-05-10
Release date:2018-01-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase.
Sci Rep, 7, 2017
6BH7
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Phosphotriesterase variant R18+254S
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 R18+254S
To Be Published
6BHK
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Phosphotriesterase variant R18deltaL7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase, ZINC ION
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 R18deltaL7
To Be Published
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
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
6AML
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BU of 6aml by Molmil
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
7P85
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BU of 7p85 by Molmil
Engineered phosphotriesterase BdPTE 10-2-C3(C59V/C227V) in complex with ethyl-4-methylbenzylphosphonate
Descriptor: FORMIC ACID, GLYCEROL, Parathion hydrolase, ...
Authors:Eichinger, A, Skerra, A.
Deposit date:2021-07-21
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural and Functional Analysis of a Highly Active Designed Phosphotriesterase for the Detoxification of Organophosphate Nerve Agents Reveals an Unpredicted Conformation of the Active Site Loop.
Biochemistry, 62, 2023
6FFW
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BU of 6ffw by Molmil
Phosphotriesterase PTE_A53_5
Descriptor: (4~{S},6~{R})-2,2,6-trimethyl-1,3-dioxan-4-ol, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J.
Deposit date:2018-01-09
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.495 Å)
Cite:Phosphotriesterase PTE_A53_5
To Be Published
8UQW
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BU of 8uqw by Molmil
Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 13 keV
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18
Authors:Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J.
Deposit date:2023-10-25
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
4GY1
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BU of 4gy1 by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase with Bound Cacodylate
Descriptor: CACODYLATE ION, ZINC ION, arylesterase variant of phosphotriesterase
Authors:Jackson, C.J, Tokuriki, N, Tawfik, D.S.
Deposit date:2012-09-05
Release date:2013-08-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
3TN4
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BU of 3tn4 by Molmil
Crystal structure of GkaP mutant G209D from Geobacillus kaustophilus HTA426
Descriptor: COBALT (II) ION, Phosphotriesterase
Authors:An, J, Zhang, Z, Zhang, Y, Feng, Y, Wu, G.
Deposit date:2011-09-01
Release date:2012-09-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
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
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
8UQX
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BU of 8uqx by Molmil
Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 9.5 keV
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18
Authors:Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J.
Deposit date:2023-10-25
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
3RHG
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BU of 3rhg by Molmil
Crystal structure of amidohydrolase pmi1525 (target efi-500319) from proteus mirabilis hi4320
Descriptor: BENZOIC ACID, CACODYLATE ION, Putative phophotriesterase, ...
Authors:Patskovsky, Y, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2011-04-11
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal Structure of Amidohydrolase Pmi1525 from Proteus Mirabilis Hi4320
To be Published
4PCN
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BU of 4pcn by Molmil
Phosphotriesterase variant R22
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase variant PTE-R22, ZINC ION
Authors:Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
Deposit date:2014-04-16
Release date:2015-05-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
4XAZ
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BU of 4xaz by Molmil
Cycles of destabilization and repair underlie evolutionary transitions in enzymes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase variant PTE-R18, ZINC ION
Authors:Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
Deposit date:2014-12-16
Release date:2015-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016

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