Author results

4E3T
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ROUND 18 ARYLESTERASE VARIANT OF PHOSPHOTRIESTERASE WITH BOUND TRANSITION STATE ANALOG
Descriptor:Phosphotriesterase, ZINC ION, hexyl(naphthalen-2-yloxy)phosphinic acid
Authors:Tokuriki, N., Jackson, C.J., Tawfik, D.S.
Deposit date:2012-03-10
Release date:2013-01-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
4GY0
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ROUND 18 ARYLESTERASE VARIANT OF PHOSPHOTRIESTERASE
Descriptor:arylesterase variant of phosphotriesterase, ZINC ION
Authors:Jackson, C.J., Tokuriki, N., Tawfik, D.S.
Deposit date:2012-09-05
Release date:2013-08-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
4GY1
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ROUND 18 ARYLESTERASE VARIANT OF PHOSPHOTRIESTERASE WITH BOUND CACODYLATE
Descriptor:arylesterase variant of phosphotriesterase, ZINC ION, CACODYLATE ION
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
5EH9
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INDIRECT CONTRIBUTIONS OF MUTATIONS UNDERLIE OPTIMIZATION OF NEW ENZYME FUNCTION
Descriptor:N-acyl homoserine lactonase AiiA, ZINC ION, GLYCEROL, ...
Authors:Hong, N.-S., Jackson, C.J., Tokuriki, N., Yang, G., Baier, F.
Deposit date:2015-10-28
Release date:2016-09-07
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects.
Biochemistry, 55, 2016
3A3W
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STRUCTURE OF OPDA MUTANT (G60A/A80V/S92A/R118Q/K185R/Q206P/D208G/I260T/G273S) WITH DIETHYL 4-METHOXYPHENYL PHOSPHATE BOUND IN THE ACTIVE SITE
Descriptor:Phosphotriesterase, COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE
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:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
3A3X
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STRUCTURE OF OPDA MUTANT (G60A/A80V/R118Q/K185R/Q206P/D208G/I260T/G273S)
Descriptor:Phosphotriesterase, COBALT (II) ION
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:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
4CXK
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G9 MUTANT OF PAS, ARYLSULFATASE FROM PSEUDOMONAS AERUGINOSA
Descriptor:ARYLSULFATASE, CALCIUM ION, SULFATE ION, ...
Authors:Miton, C.M., Jonas, S., Mohammed, M.F., Fischer, G., Loo, B.v., Kintses, B., Hyvonen, M., Tokuriki, N., Hollfelder, F.
Deposit date:2014-04-07
Release date:2015-04-22
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4CXS
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G4 MUTANT OF PAS, ARYLSULFATASE FROM PSEUDOMONAS AERUGINOSA, IN COMPLEX WITH PHENYLPHOSPHONIC ACID
Descriptor:ARYLSULFATASE, CALCIUM ION, SULFATE ION, ...
Authors:Miton, C.M., Jonas, S., Mohammed, M.F., Fischer, G., Loo, B.v., Kintses, B., Hyvonen, M., Tokuriki, N., Hollfelder, F.
Deposit date:2014-04-08
Release date:2015-05-13
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4CXU
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G4 MUTANT OF PAS, ARYLSULFATASE FROM PSEUDOMONAS AERUGINOSA, IN COMPLEX WITH 3-BR-PHENOLPHENYLPHOSPHONATE
Descriptor:ARYLSULFATASE, CALCIUM ION, 3-bromophenyl hydrogen (S)-phenylphosphonate
Authors:Miton, C.M., Jonas, S., Mohammed, M.F., Fischer, G., Loo, B.v., Kintses, B., Hyvonen, M., Tokuriki, N., Hollfelder, F.
Deposit date:2014-04-08
Release date:2015-04-22
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4CYR
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G4 MUTANT OF PAS, ARYLSULFATASE FROM PSEUDOMONAS AERUGINOSA
Descriptor:ARYLSULFATASE, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Miton, C.M., Jonas, S., Mohammed, M.F., Fischer, G., Loo, B.v., Kintses, B., Hyvonen, M., Tokuriki, N., Hollfelder, F.
Deposit date:2014-04-14
Release date:2015-04-29
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4CYS
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G6 MUTANT OF PAS, ARYLSULFATASE FROM PSEUDOMONAS AERUGINOSA, IN COMPLEX WITH PHENYLPHOSPHONIC ACID
Descriptor:ARYLSULFATASE, CALCIUM ION, phenylphosphonic acid, ...
Authors:Miton, C.M., Jonas, S., Mohammed, M.F., Fischer, G., Loo, B.v., Kintses, B., Hyvonen, M., Tokuriki, N., Hollfelder, F.
Deposit date:2014-04-14
Release date:2015-04-29
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4PBE
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PHOSPHOTRIESTERASE VARIANT REV6
Descriptor:Phosphotriesterase variant PTE-revR6, ZINC ION, CACODYLATE ION, ...
Authors:Campbell, E., Kaltenbach, M., Tokuriki, N., Jackson, C.J.
Deposit date:2014-04-12
Release date:2015-05-06
Last modified:2018-04-18
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
4PBF
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PHOSPHOTRIESTERASE VARIANT REV12
Descriptor:Phosphotriesterase variant PTE-revR12, ZINC ION, CACODYLATE ION, ...
Authors:Campbell, E., Kaltenbach, M., Tokuriki, N., Jackson, C.J.
Deposit date:2014-04-12
Release date:2015-05-06
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
4PCN
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PHOSPHOTRIESTERASE VARIANT R22
Descriptor:Phosphotriesterase variant PTE-R22, (4S)-2-METHYL-2,4-PENTANEDIOL, ZINC ION
Authors:Jackson, C.J., Campbell, E., Kaltenbach, M., Tokuriki, N.
Deposit date:2014-04-16
Release date:2015-05-06
Last modified:2018-04-18
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
4PCP
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CRYSTAL STRUCTURE OF PHOSPHOTRIESTERASE VARIANT R0
Descriptor:Phosphotriesterase variant PTE-R0, ZINC ION, CACODYLATE ION
Authors:Campbell, E., Kaltenbach, M., Tokuriki, N., Jackson, C.J.
Deposit date:2014-04-16
Release date:2015-05-06
Last modified:2018-04-18
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
4XAF
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CYCLES OF DESTABILIZATION AND REPAIR UNDERLIE EVOLUTIONARY TRANSITIONS IN ENZYMES
Descriptor:Phosphotriesterase variant PTE-R1, ZINC ION, CACODYLATE ION, ...
Authors:Jackson, C.J., Campbell, E., Kaltenbach, M., Tokuriki, N.
Deposit date:2014-12-14
Release date:2015-12-16
Last modified:2016-10-26
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
4XAG
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CYCLES OF DESTABILIZATION AND REPAIR UNDERLIE THE EVOLUTION OF NEW ENZYME FUNCTION
Descriptor:Phosphotriesterase variant PTE-R6, ZINC ION, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Jackson, C.J., Campbell, E., Kaltenbach, M., Tokuriki, N.
Deposit date:2014-12-14
Release date:2015-12-16
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XAY
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CYCLES OF DESTABILIZATION AND REPAIR UNDERLIE EVOLUTIONARY TRANSITIONS IN ENZYMES
Descriptor:Phosphotriesterase variant PTE-R8, ZINC ION, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:Jackson, C.J., Campbell, E., Kaltenbach, M., Tokuriki, N.
Deposit date:2014-12-16
Release date:2015-12-16
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XAZ
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CYCLES OF DESTABILIZATION AND REPAIR UNDERLIE EVOLUTIONARY TRANSITIONS IN ENZYMES
Descriptor:Phosphotriesterase variant PTE-R18, ZINC ION, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Jackson, C.J., Campbell, E., Kaltenbach, M., Tokuriki, N.
Deposit date:2014-12-16
Release date:2015-12-16
Last modified:2016-10-26
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
4XD3
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PHOSPHOTRIESTERASE VARIANT E3
Descriptor:Phosphotriesterase variant PTE-E1, ZINC ION, CACODYLATE ION, ...
Authors:Jackson, C.J., Campbell, E., Kaltenbach, M., Tokuriki, N.
Deposit date:2014-12-19
Release date:2015-12-23
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XD4
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PHOSPHOTRIESTERASE VARIANT E2B
Descriptor:Phosphotriesterase variant PTE-R3, ZINC ION, CACODYLATE ION, ...
Authors:Jackson, C.J., Campbell, E., Kaltenbach, M., Tokuriki, N.
Deposit date:2014-12-19
Release date:2015-12-23
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XD5
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PHOSPHOTRIESTERASE VARIANT R2
Descriptor:Phosphotriesterase variant PTE-R2, ZINC ION, CACODYLATE ION, ...
Authors:Campbell, E., Kaltenbach, M., Tokuriki, N., Jackson, C.J.
Deposit date:2014-12-19
Release date:2015-12-23
Last modified:2016-10-26
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
4XD6
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PHOSPHOTRIESTERASE VARIANT E2A
Descriptor:Phosphotriesterase variant PTE-E2, ZINC ION, CACODYLATE ION, ...
Authors:Jackson, C.J., Campbell, E., Kaltenbach, M., Tokuriki, N.
Deposit date:2014-12-19
Release date:2015-12-23
Last modified:2016-10-26
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
5AJ9
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G7 MUTANT OF PAS, ARYLSULFATASE FROM PSEUDOMONAS AERUGINOSA
Descriptor:ARYLSULFATASE, CALCIUM ION, SULFATE ION, ...
Authors:Miton, C.M., Fischer, G., Jonas, S., Mohammed, M.F., Loo, B.v., Kintses, B., Hyvonen, M., Tokuriki, N., Hollfelder, F.
Deposit date:2015-02-20
Release date:2016-03-16
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5W6B
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PHOSPHOTRIESTERASE VARIANT S1
Descriptor:Phosphotriesterase variant PTE-R1, ZINC ION, CACODYLATE ION, ...
Authors:Miton, C.M., Campbell, E.C., Jackson, C.J., Tokuriki, N.
Deposit date:2017-06-16
Release date:2018-12-12
Method:X-RAY DIFFRACTION (1.739 Å)
Cite:Phosphotriesterase variant S1
To Be Published
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