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PDB: 186 件
5HPQ
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BU of 5hpq by Molmil
Crystal structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa bound to acetate
分子名称: ACETATE ION, Cyclohexadienyl dehydratase
著者Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2016-01-20
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa bound to acetate
To Be Published
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
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
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
2ZOA
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BU of 2zoa by Molmil
Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) COLLECTED AT 1.280 ANGSTROM
分子名称: FE (II) ION, MALONATE ION, Phosphohydrolase
著者Ollis, D.L, Jackson, C.J, Carr, P.D.
登録日2008-05-07
公開日2008-10-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal-ion preference.
Acta Crystallogr.,Sect.F, 64, 2008
7K7U
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BU of 7k7u by Molmil
BetaB2-crystallin
分子名称: Beta-crystallin B2
著者Tan, L.L, Jackson, C.J.
登録日2020-09-24
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献BetaB2-crystallin
To Be Published
7KL8
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BU of 7kl8 by Molmil
Structure of F420 binding protein Rv1558 from Mycobacterium tuberculosis with F420 bound
分子名称: COENZYME F420, COENZYME F420-3, Deazaflavin-dependent nitroreductase, ...
著者Lee, B.M, Tan, L.L, Jackson, C.J.
登録日2020-10-29
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.469 Å)
主引用文献Potency boost of a Mycobacterium tuberculosis dihydrofolate reductase inhibitor by multienzyme F 420 H 2 -dependent reduction.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KW0
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BU of 7kw0 by Molmil
Non-ribosomal didomain (stabilised glycine-PCP-C) acceptor bound state
分子名称: N-{2-[(2-aminoethyl)sulfanyl]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, PCP-C didomain
著者Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J.
登録日2020-11-29
公開日2021-03-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
7KW3
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BU of 7kw3 by Molmil
Non Ribosomal PCP domain
分子名称: PCP domain, SULFATE ION
著者Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J.
登録日2020-11-29
公開日2021-03-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
7KVW
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BU of 7kvw by Molmil
Non-ribosomal didomain (holo-PCP-C) acceptor bound state
分子名称: 4'-PHOSPHOPANTETHEINE, PCP-C didomain
著者Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J.
登録日2020-11-29
公開日2021-03-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
7KW2
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BU of 7kw2 by Molmil
Non-ribosomal didomain (holo-PCP-C) acceptor bound state, R2577G
分子名称: 4'-PHOSPHOPANTETHEINE, PCP-C didomain
著者Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J.
登録日2020-11-29
公開日2021-03-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity.
Nat Commun, 12, 2021
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
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
7LNH
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BU of 7lnh by Molmil
S-adenosylmethionine synthetase co-crystallized with UppNHp
分子名称: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]butanoic acid, 1,2-ETHANEDIOL, S-adenosylmethionine synthase isoform type-2
著者Tan, L.L, Jackson, C.J.
登録日2021-02-07
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
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
7LL3
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BU of 7ll3 by Molmil
S-adenosylmethionine synthetase co-crystallized with UppNHp
分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine, ...
著者Tan, L.L, Jackson, C.J.
登録日2021-02-03
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
7LOW
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BU of 7low by Molmil
S-adenosylmethionine synthetase
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Tan, L.L, Jackson, C.J.
登録日2021-02-10
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
7LOZ
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BU of 7loz by Molmil
S-adenosylmethionine synthetase
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Tan, L.L, Jackson, C.J.
登録日2021-02-11
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
7LNN
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BU of 7lnn by Molmil
E. coli S-adenosyl methionine transferase co-crystallized with guanosine-5'-imidotriphosphate
分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Tan, L.L, Jackson, C.J.
登録日2021-02-08
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
7LO2
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BU of 7lo2 by Molmil
S-adenosylmethionine synthetase cocrystallized with CTP
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Tan, L.L, Jackson, C.J.
登録日2021-02-09
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
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
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
3A4J
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BU of 3a4j by Molmil
arPTE (K185R/D208G/N265D/T274N)
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, Phosphotriesterase
著者Foo, J.L, Jackson, C.J, Carr, P.D, Ollis, D.L.
登録日2009-07-07
公開日2010-01-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009

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