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1GGV
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BU of 1ggv by Molmil
CRYSTAL STRUCTURE OF THE C123S MUTANT OF DIENELACTONE HYDROLASE (DLH) BOUND WITH THE PMS MOIETY OF THE PROTEASE INHIBITOR, PHENYLMETHYLSULFONYL FLUORIDE (PMSF)
分子名称: DIENELACTONE HYDROLASE
著者Robinson, A, Edwards, K.J, Carr, P.D, Barton, J.D, Ewart, G.D, Ollis, D.L.
登録日2000-09-27
公開日2000-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the C123S mutant of dienelactone hydrolase (DLH) bound with the PMS moiety of the protease inhibitor phenylmethylsulfonyl fluoride (PMSF).
Acta Crystallogr.,Sect.D, 56, 2000
1GNK
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BU of 1gnk by Molmil
GLNK, A SIGNAL PROTEIN FROM E. COLI
分子名称: PROTEIN (GLNK), SULFATE ION
著者Xu, Y, Cheah, E, Carr, P.D, Vanheeswijk, W.C, Westerhoff, H.V, Vasudevan, S.G, Ollis, D.L.
登録日1998-07-14
公開日1999-07-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献GlnK, a PII-homologue: structure reveals ATP binding site and indicates how the T-loops may be involved in molecular recognition.
J.Mol.Biol., 282, 1998
2R1L
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BU of 2r1l by Molmil
OpdA from Agrobacterium radiobacter with bound diethyl thiophosphate from crystal soaking with the compound- 1.95 A
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ...
著者Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G.
登録日2007-08-23
公開日2008-02-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase
J.Mol.Biol., 375, 2008
2R1N
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BU of 2r1n by Molmil
OpdA from Agrobacterium radiobacter with bound slow substrate diethyl 4-methoxyphenyl phosphate (20h)- 1.7 A
分子名称: COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, FE (II) ION, ...
著者Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G.
登録日2007-08-23
公開日2008-02-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase
J.Mol.Biol., 375, 2008
2R1P
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BU of 2r1p by Molmil
OpdA from Agrobacterium radiobacter with bound product diethyl thiophosphate from co-crystallisation with tetraethyl dithiopyrophosphate- 1.8 A
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ...
著者Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G.
登録日2007-08-23
公開日2008-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase
J.Mol.Biol., 375, 2008
2R1M
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BU of 2r1m by Molmil
OpdA from Agrobacterium radiobacter with bound product diethyl phosphate from crystal soaking with diethyl 4-methoxyphenyl phosphate (450h)- 2.5 A
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, ...
著者Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G.
登録日2007-08-23
公開日2008-02-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase
J.Mol.Biol., 375, 2008
2R1K
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BU of 2r1k by Molmil
OpdA from Agrobacterium radiobacter with bound diethyl phosphate from crystal soaking with the compound- 1.9 A
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, ...
著者Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G.
登録日2007-08-23
公開日2008-02-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase
J.Mol.Biol., 375, 2008
5TUJ
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BU of 5tuj by Molmil
Ancestral Cationic Amino Acid Solute Binding Protein (AncCDT-1)
分子名称: Ancestral protein CDT-Anc1
著者Kaczmarski, J.A, Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2016-11-06
公開日2017-12-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.352 Å)
主引用文献Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
5T0W
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BU of 5t0w by Molmil
Crystal structure of the ancestral amino acid-binding protein AncCDT-1, a precursor of cyclohexadienyl dehydratase
分子名称: ARGININE, AncCDT-1
著者Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2016-08-16
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献To be published
To Be Published
4FNG
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BU of 4fng by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina
分子名称: E3 alpha-esterase-7 caboxylesterase
著者Jackson, C.J, Liu, J.-W, Carr, P.D, Younis, F, Pandey, G, Coppin, C, Meirelles, T, Ollis, D.L, Tawfik, D.S, Weik, M, Oakeshott, J.G.
登録日2012-06-19
公開日2013-06-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and function of an insect alpha-carboxylesterase ( alpha Esterase7) associated with insecticide resistance.
Proc.Natl.Acad.Sci.USA, 110, 2013
5W1U
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BU of 5w1u by Molmil
Culex quinquefasciatus carboxylesterase B2
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carboxylic ester hydrolase, MALONATE ION
著者Hopkins, D.H, Jackson, C.J.
登録日2017-06-04
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of an Insecticide Sequestering Carboxylesterase from the Disease Vector Culex quinquefasciatus: What Makes an Enzyme a Good Insecticide Sponge?
Biochemistry, 56, 2017
5WJP
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BU of 5wjp by Molmil
Crystal structure of the cyclohexadienyl dehydratase-like solute-binding protein SAR11_1068 from Candidatus Pelagibacter ubique.
分子名称: Cyclohexadienyl dehydratase
著者Clifton, B.E, Jackson, C.J.
登録日2017-07-24
公開日2017-08-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
5IVK
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BU of 5ivk by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated-enzyme ensemble refinement
分子名称: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
著者Correy, G.J, Jackson, C.J.
登録日2016-03-21
公開日2016-06-22
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5IVI
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BU of 5ivi by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated enzyme qFit multi-conformer model
分子名称: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
著者Correy, G.J, Jackson, C.J.
登録日2016-03-20
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5IVH
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BU of 5ivh by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: apo-enzyme ensemble refinement
分子名称: Carboxylic ester hydrolase
著者Correy, G.J, Jackson, C.J.
登録日2016-03-20
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5IVD
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BU of 5ivd by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: apo-enzyme qFit multi-conformer model
分子名称: Carboxylic ester hydrolase
著者Correy, G.J, Jackson, C.J.
登録日2016-03-20
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
6WUP
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BU of 6wup by Molmil
Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-5
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ancestral cyclohexadienyl dehydratase, AncCDT-5, ...
著者Kaczmarski, J.A, Mahawaththa, M.C.
登録日2020-05-05
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Altered conformational sampling along an evolutionary trajectory changes the catalytic activity of an enzyme.
Nat Commun, 11, 2020
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
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

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