3A3W
 
 | | Structure of OpdA mutant (G60A/A80V/S92A/R118Q/K185R/Q206P/D208G/I260T/G273S) with diethyl 4-methoxyphenyl phosphate bound in the active site | | Descriptor: | COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, 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 (1.85 Å) | | Cite: | Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
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3A3X
 | | 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
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2ZC1
 | | Organophosphorus Hydrolase from Deinococcus radiodurans | | Descriptor: | BROMIDE ION, COBALT (II) ION, Phosphotriesterase | | Authors: | Larsen, S.D, Hawwa, R, Ratia, K, Santarsiero, B.D, Mesecar, A.D. | | Deposit date: | 2007-11-02 | | Release date: | 2008-11-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | X-Ray Structural Insights into a Phosphotriesterase
to be published
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3C86
 | | OpdA from agrobacterium radiobacter with bound product diethyl thiophosphate from crystal soaking with tetraethyl dithiopyrophosphate- 1.8 A | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ... | | Authors: | Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G. | | Deposit date: | 2008-02-10 | | Release date: | 2008-02-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase
J.Mol.Biol., 375, 2008
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3CAK
 | | X-ray structure of WT PTE with ethyl phosphate | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, ... | | Authors: | Kim, J, Tsai, P.-C, Almo, S.C, Raushel, F.M. | | Deposit date: | 2008-02-20 | | Release date: | 2008-10-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure of diethyl phosphate bound to the binuclear metal center of phosphotriesterase.
Biochemistry, 47, 2008
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3A4J
 | | 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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3CS2
 | | Crystal structure of PTE G60A mutant | | Descriptor: | CACODYLATE ION, COBALT (II) ION, Parathion hydrolase | | Authors: | Kim, J, Almo, S.C. | | Deposit date: | 2008-04-08 | | Release date: | 2009-02-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of diethyl phosphate bound to the binuclear metal center of phosphotriesterase.
Biochemistry, 47, 2008
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8SFM
 | | Crystal structure of the engineered SsoPox variant IVB10 in alternate state | | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | | Deposit date: | 2023-04-11 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
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8SFB
 | | Crystal structure of the engineered SsoPox variant IVA4 | | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ... | | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | | Deposit date: | 2023-04-10 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
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8SFA
 | | Crystal structure of the engineered SsoPox variant IIIC1 | | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION | | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | | Deposit date: | 2023-04-10 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
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8SF2
 | | Crystal structure of the engineered SsoPox variant IG7 | | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ... | | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | | Deposit date: | 2023-04-10 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
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8SF9
 | | Crystal structure of the engineered SsoPox variant IG7 - Alternative state | | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION | | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | | Deposit date: | 2023-04-10 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
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8SFK
 | | Crystal structure of the engineered SsoPox variant IVE2 | | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ... | | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | | Deposit date: | 2023-04-11 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
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8SFC
 | | Crystal structure of the engineered SsoPox variant IVA4 in alternate state | | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ... | | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | | Deposit date: | 2023-04-10 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
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8SFD
 | | Crystal structure of the engineered SsoPox variant IVB10 | | Descriptor: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ... | | Authors: | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | | Deposit date: | 2023-04-10 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
To Be Published
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4PCP
 | | Crystal structure of Phosphotriesterase variant R0 | | Descriptor: | CACODYLATE ION, Phosphotriesterase variant PTE-R0, ZINC ION | | Authors: | Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J. | | Deposit date: | 2014-04-16 | | Release date: | 2015-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
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4QSF
 | | CRYSTAL STRUCTURE of AMIDOHYDROLASE PMI1525 (TARGET EFI-500319) FROM PROTEUS MIRABILIS HI4320, A COMPLEX WITH BUTYRIC ACID AND MANGANESE | | Descriptor: | Amidohydrolase Pmi1525, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Patskovsky, Y, Toro, R, Xiang, D.F, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-07-03 | | Release date: | 2014-07-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of Amidohydrolase Pmi1525 from Proteus Mirabilis Hi4320
To be Published
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3WML
 | | 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
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4RDZ
 | | Crystal structure of VmoLac in P64 space group | | Descriptor: | COBALT (II) ION, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Hiblot, J, Bzdrenga, J, Champion, C, Gotthard, G, Gonzalez, D, Chabriere, E, Elias, M. | | Deposit date: | 2014-09-20 | | Release date: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia.
Sci Rep, 5, 2015
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4RE0
 | | Crystal structure of VmoLac in P622 space group | | Descriptor: | COBALT (II) ION, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Hiblot, J, Bzdrenga, J, Champion, C, Gotthard, G, Gonzalez, D, Chabriere, E, Elias, M. | | Deposit date: | 2014-09-20 | | Release date: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia.
Sci Rep, 5, 2015
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3UR2
 | | Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, IMIDAZOLE, ... | | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | | Deposit date: | 2011-11-21 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
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4PBE
 | | 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
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3URA
 | | Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T | | Descriptor: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase | | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | | Deposit date: | 2011-11-21 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
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3URN
 | | Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T with cyclohexyl methylphosphonate inhibitor | | Descriptor: | COBALT (II) ION, IMIDAZOLE, Parathion hydrolase, ... | | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | | Deposit date: | 2011-11-22 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
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3UR5
 | | Crystal Structure of PTE mutant K185R/I274N | | Descriptor: | COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, Parathion hydrolase | | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | | Deposit date: | 2011-11-21 | | Release date: | 2012-08-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents.
Biochemistry, 51, 2012
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