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4E3T
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BU of 4e3t by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase with Bound Transition State Analog
分子名称: Phosphotriesterase, ZINC ION, hexyl(naphthalen-2-yloxy)phosphinic acid
著者Tokuriki, N, Jackson, C.J, Tawfik, D.S.
登録日2012-03-10
公開日2013-01-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
4GY1
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BU of 4gy1 by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase with Bound Cacodylate
分子名称: CACODYLATE ION, ZINC ION, arylesterase variant of phosphotriesterase
著者Jackson, C.J, Tokuriki, N, Tawfik, D.S.
登録日2012-09-05
公開日2013-08-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
4GY0
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BU of 4gy0 by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase
分子名称: ZINC ION, arylesterase variant of phosphotriesterase
著者Jackson, C.J, Tokuriki, N, Tawfik, D.S.
登録日2012-09-05
公開日2013-08-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
5EH9
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BU of 5eh9 by Molmil
Indirect contributions of mutations underlie optimization of new enzyme function
分子名称: 2-HYDROXYETHYL DISULFIDE, GLYCEROL, N-acyl homoserine lactonase AiiA, ...
著者Hong, N.-S, Jackson, C.J, Tokuriki, N, Yang, G, Baier, F.
登録日2015-10-28
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects.
Biochemistry, 55, 2016
3A3W
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BU of 3a3w by Molmil
Structure of OpdA mutant (G60A/A80V/S92A/R118Q/K185R/Q206P/D208G/I260T/G273S) with diethyl 4-methoxyphenyl phosphate bound in the active site
分子名称: COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, Phosphotriesterase
著者Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K.
登録日2009-06-23
公開日2010-01-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
6C2C
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BU of 6c2c by Molmil
The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ...
著者Hong, N.-S, Jackson, C.J, Carr, P.D, Tokuriki, N, Baier, F, Yang, G.
登録日2018-01-08
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.597 Å)
主引用文献Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme.
Nat.Chem.Biol., 15, 2019
3A3X
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BU of 3a3x by Molmil
Structure of OpdA mutant (G60A/A80V/R118Q/K185R/Q206P/D208G/I260T/G273S)
分子名称: COBALT (II) ION, Phosphotriesterase
著者Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K.
登録日2009-06-23
公開日2010-01-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
4XAY
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BU of 4xay by Molmil
Cycles of destabilization and repair underlie evolutionary transitions in enzymes
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R8, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-16
公開日2015-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase variant PTE-R18, ZINC ION
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-16
公開日2015-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XD4
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BU of 4xd4 by Molmil
Phosphotriesterase variant E2b
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R3, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-19
公開日2015-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XAG
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BU of 4xag by Molmil
Cycles of destabilization and repair underlie the evolution of new enzyme function
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R6, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-14
公開日2015-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XD3
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BU of 4xd3 by Molmil
Phosphotriesterase variant E3
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-E1, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-19
公開日2015-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XD6
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BU of 4xd6 by Molmil
Phosphotriesterase Variant E2a
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-E2, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-19
公開日2015-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R2, ...
著者Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
登録日2014-12-19
公開日2015-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XAF
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BU of 4xaf by Molmil
Cycles of destabilization and repair underlie evolutionary transitions in enzymes
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R1, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-14
公開日2015-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
5AJ9
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BU of 5aj9 by Molmil
G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARYLSULFATASE, CALCIUM ION, ...
著者Miton, C.M, Fischer, G, Jonas, S, Mohammed, M.F, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2015-02-20
公開日2016-03-16
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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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BU of 4pbe by Molmil
Phosphotriesterase Variant Rev6
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-revR6, ...
著者Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
登録日2014-04-12
公開日2015-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
4PBF
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BU of 4pbf by Molmil
Phosphotriesterase variant Rev12
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-revR12, ...
著者Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
登録日2014-04-12
公開日2015-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
4PCN
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BU of 4pcn by Molmil
Phosphotriesterase variant R22
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase variant PTE-R22, ZINC ION
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-04-16
公開日2015-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
4PCP
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BU of 4pcp by Molmil
Crystal structure of Phosphotriesterase variant R0
分子名称: CACODYLATE ION, Phosphotriesterase variant PTE-R0, ZINC ION
著者Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
登録日2014-04-16
公開日2015-05-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat. Chem. Biol., 12, 2016
4CYR
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BU of 4cyr by Molmil
G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
分子名称: ARYLSULFATASE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-14
公開日2015-04-29
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献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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BU of 4cys by Molmil
G6 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with Phenylphosphonic acid
分子名称: AMMONIUM ION, ARYLSULFATASE, CALCIUM ION, ...
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-14
公開日2015-04-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献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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BU of 4cxs by Molmil
G4 mutant of PAS, arylsulfatase from Pseudomonas aeruginosa, in complex with Phenylphosphonic acid
分子名称: ARYLSULFATASE, CALCIUM ION, SULFATE ION, ...
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-08
公開日2015-05-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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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BU of 4cxu by Molmil
G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with 3-Br-Phenolphenylphosphonate
分子名称: 3-bromophenyl hydrogen (S)-phenylphosphonate, ARYLSULFATASE, CALCIUM ION
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-08
公開日2015-04-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献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
4CXK
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BU of 4cxk by Molmil
G9 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
分子名称: ARYLSULFATASE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2014-04-07
公開日2015-04-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献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

 

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