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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
4LEF
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BU of 4lef by Molmil
Crystal structure of PHOSPHOTRIESTERASE HOMOLOGY PROTEIN FROM ESCHERICHIA COLI complexed with phosphate in active site
Descriptor: PHOSPHATE ION, Phosphotriesterase homology protein, ZINC ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Xiang, D.F, Raushel, F.M, Almo, S.C.
Deposit date:2013-06-25
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Crystal structure of PHOSPHOTRIESTERASE HOMOLOGY PROTEIN FROM ESCHERICHIA COLI complexed with phosphate in active site
To be Published
5CH9
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BU of 5ch9 by Molmil
Gkap mutant B12
Descriptor: COBALT (II) ION, Phosphotriesterase
Authors:Chen, L.-Q.
Deposit date:2015-07-10
Release date:2015-09-09
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Active site loop architecture enhance the promiscuous PTE activity in lactonase from Geobacillus kaustophilus HTA426
To Be Published
3WML
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BU of 3wml by Molmil
Structure of phosphotriesterase mutant (S308L/Y309A) from Agrobacterium radiobacter
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ...
Authors:Jackson, C.J, Carr, P.D, Sugrue, E.
Deposit date:2013-11-21
Release date:2014-09-24
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A 5000-fold increase in the specificity of a bacterial phosphotriesterase for malathion through combinatorial active site mutagenesis
Plos One, 9, 2014
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
1BF6
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BU of 1bf6 by Molmil
PHOSPHOTRIESTERASE HOMOLOGY PROTEIN FROM ESCHERICHIA COLI
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, PHOSPHOTRIESTERASE HOMOLOGY PROTEIN, ...
Authors:Buchbinder, J.L, Stephenson, R.C, Scanlan, T.S, Fletterick, R.J.
Deposit date:1998-05-27
Release date:1999-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical characterization and crystallographic structure of an Escherichia coli protein from the phosphotriesterase gene family.
Biochemistry, 37, 1998
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
3MSR
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BU of 3msr by Molmil
The crystal structure of an amidohydrolase from Mycoplasma synoviae
Descriptor: GLYCEROL, PHOSPHATE ION, amidohydrolases
Authors:Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-04-29
Release date:2010-05-12
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:The crystal structure of an amidohydrolase from Mycoplasma synoviae
To be Published
4ZSU
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BU of 4zsu by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3aG
Descriptor: COBALT (II) ION, Parathion hydrolase
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2015-05-14
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
4ZST
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BU of 4zst by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3a
Descriptor: COBALT (II) ION, Parathion hydrolase
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2015-05-13
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
4XD6
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BU of 4xd6 by Molmil
Phosphotriesterase Variant E2a
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-E2, ...
Authors:Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
Deposit date:2014-12-19
Release date:2015-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XD5
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BU of 4xd5 by Molmil
Phosphotriesterase variant R2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R2, ...
Authors:Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
Deposit date:2014-12-19
Release date:2015-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
2D2H
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BU of 2d2h by Molmil
OpdA from Agrobacterium radiobacter with bound inhibitor trimethyl phosphate at 1.8 A resolution
Descriptor: COBALT (II) ION, TRIMETHYL PHOSPHATE, phosphotriesterase
Authors:Jackson, C, Kim, H.K, Carr, P.D, Liu, J.W, Ollis, D.L.
Deposit date:2005-09-09
Release date:2005-09-20
Last modified:2015-08-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of an enzyme-product complex reveals the critical role of a terminal hydroxide nucleophile in the bacterial phosphotriesterase mechanism
Biochim.Biophys.Acta, 1752, 2005
4XAF
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BU of 4xaf by Molmil
Cycles of destabilization and repair underlie evolutionary transitions in enzymes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R1, ...
Authors:Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
Deposit date:2014-12-14
Release date:2015-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
1DPM
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BU of 1dpm by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE ZINC-CONTAINING PHOSPHOTRIESTERASE WITH BOUND SUBSTRATE ANALOG DIETHYL 4-METHYLBENZYLPHOSPHONATE
Descriptor: DIETHYL 4-METHYLBENZYLPHOSPHONATE, FORMIC ACID, PHOSPHOTRIESTERASE, ...
Authors:Vanhooke, J.L, Benning, M.M, Raushel, F.M, Holden, H.M.
Deposit date:1996-02-13
Release date:1997-08-20
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three-dimensional structure of the zinc-containing phosphotriesterase with the bound substrate analog diethyl 4-methylbenzylphosphonate.
Biochemistry, 35, 1996
1EYW
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BU of 1eyw by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE ZINC-CONTAINING PHOSPHOTRIESTERASE WITH BOUND SUBSTRATE ANALOG TRIETHYLPHOSPHATE
Descriptor: 2-PHENYL-ETHANOL, PHOSPHOTRIESTERASE, TRIETHYL PHOSPHATE, ...
Authors:Holden, H.M, Benning, M.M, Raushel, F.M, Hong, S.-B.
Deposit date:2000-05-09
Release date:2000-12-20
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The binding of substrate analogs to phosphotriesterase.
J.Biol.Chem., 275, 2000
6JST
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BU of 6jst by Molmil
Structure of Geobacillus kaustophilus lactonase, Y99P/D266N double mutant with bound 3-oxo-C8-HSL
Descriptor: 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, FE (III) ION, HYDROXIDE ION, ...
Authors:Xue, B, Yew, W.S.
Deposit date:2019-04-08
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:Directed Computational Evolution of Quorum-Quenching Lactonases from the Amidohydrolase Superfamily.
Structure, 28, 2020
6JSS
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BU of 6jss by Molmil
Structure of Geobacillus kaustophilus lactonase, Y99P mutant
Descriptor: FE (III) ION, HYDROXIDE ION, Phosphotriesterase, ...
Authors:Xue, B, Yew, W.S.
Deposit date:2019-04-08
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Directed Computational Evolution of Quorum-Quenching Lactonases from the Amidohydrolase Superfamily.
Structure, 28, 2020
6JSU
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BU of 6jsu by Molmil
Structure of Geobacillus kaustophilus lactonase, Y99C/D266N double mutant
Descriptor: FE (III) ION, HYDROXIDE ION, Phosphotriesterase, ...
Authors:Xue, B, Yew, W.S.
Deposit date:2019-04-08
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Directed Computational Evolution of Quorum-Quenching Lactonases from the Amidohydrolase Superfamily.
Structure, 28, 2020
1EZ2
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BU of 1ez2 by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE ZINC-CONTAINING PHOSPHOTRIESTERASE WITH BOUND SUBSTRATE ANALOG DIISOPROPYLMETHYL PHOSPHONATE.
Descriptor: METHYLPHOSPHONIC ACID DIISOPROPYL ESTER, PHOSPHOTRIESTERASE, ZINC ION
Authors:Holden, H.M, Benning, M.M, Raushel, F.M, Hong, S.-B.
Deposit date:2000-05-09
Release date:2000-12-20
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The binding of substrate analogs to phosphotriesterase.
J.Biol.Chem., 275, 2000
2D2J
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BU of 2d2j by Molmil
OpdA from Agrobacterium radiobacter without inhibitor/product present at 1.75 A resolution
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, phosphotriesterase
Authors:Jackson, C, Kim, H.K, Carr, P.D, Liu, J.W, Ollis, D.L.
Deposit date:2005-09-09
Release date:2005-09-20
Last modified:2015-08-19
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structure of an enzyme-product complex reveals the critical role of a terminal hydroxide nucleophile in the bacterial phosphotriesterase mechanism
Biochim.Biophys.Acta, 1752, 2005
2D2G
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BU of 2d2g by Molmil
OpdA from Agrobacterium radiobacter with bound product dimethylthiophosphate
Descriptor: COBALT (II) ION, O,O-DIMETHYL HYDROGEN THIOPHOSPHATE, phosphotriesterase
Authors:Jackson, C, Kim, H.K, Carr, P.D, Liu, J.W, Ollis, D.L.
Deposit date:2005-09-08
Release date:2005-09-20
Last modified:2015-08-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The structure of an enzyme-product complex reveals the critical role of a terminal hydroxide nucleophile in the bacterial phosphotriesterase mechanism
Biochim.Biophys.Acta, 1752, 2005
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
8UQZ
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BU of 8uqz by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase Bound to Gadolinium(III) Measured at 9.5 keV
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GADOLINIUM ION, ...
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 (1.61 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
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

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