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5JV4
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BU of 5jv4 by Molmil
Structure of F420 binding protein, MSMEG_6526, from Mycobacterium smegmatis with F420 bound
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COENZYME F420, ...
著者Lee, B.M, Carr, P.D, Jackson, C.J.
登録日2016-05-10
公開日2017-08-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of F420 binding protein, MSMEG_6526, from Mycobacterium smegmatis with F420 bound
To Be Published
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
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
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
7RG8
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BU of 7rg8 by Molmil
Crystal Structure of a Stable Heparanase Mutant
分子名称: ACETATE ION, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ...
著者Whitefield, C, Hong, N.S, Jackson, C.J.
登録日2021-07-14
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Computational design and experimental characterisation of a stable human heparanase variant.
Rsc Chem Biol, 3, 2022
4ZKY
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BU of 4zky by Molmil
Structure of F420 binding protein, MSMEG_6526, from Mycobacterium smegmatis
分子名称: CHLORIDE ION, IODIDE ION, Pyridoxamine 5-phosphate oxidase, ...
著者Lee, B.M, Carr, P.D, Ahmed, F.H, Jackson, C.J.
登録日2015-05-01
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria.
J.Mol.Biol., 427, 2015
5C8V
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BU of 5c8v by Molmil
Lucilia cuprina alpha esterase 7: Gly137Asp
分子名称: Carboxylic ester hydrolase
著者Correy, G.J, Mabbitt, P.D, Jackson, C.J.
登録日2015-06-26
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Conformational Disorganization within the Active Site of a Recently Evolved Organophosphate Hydrolase Limits Its Catalytic Efficiency.
Biochemistry, 55, 2016
5CH3
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BU of 5ch3 by Molmil
E3 alpha-esterase-7 carboxylesterase
分子名称: Carboxylic ester hydrolase
著者Correy, G, Mabbitt, P, Jackson, C.J.
登録日2015-07-10
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
5CH5
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BU of 5ch5 by Molmil
E3 alpha-esterase-7 carboxylesterase
分子名称: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
著者Correy, G, Mabbitt, P, Jackson, C.J.
登録日2015-07-10
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
5BNC
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BU of 5bnc by Molmil
Structure of heme binding protein MSMEG_6519 from Mycobacterium smegmatis
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, NICKEL (II) ION, ...
著者Ahmed, F.H, Carr, P.D, Jackson, C.J.
登録日2015-05-26
公開日2015-10-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria.
J.Mol.Biol., 427, 2015
4ZV1
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BU of 4zv1 by Molmil
An ancestral arginine-binding protein bound to arginine
分子名称: ARGININE, AncQR
著者Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2015-05-18
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Ancestral Protein Reconstruction Yields Insights into Adaptive Evolution of Binding Specificity in Solute-Binding Proteins.
Cell Chem Biol, 23, 2016
4ZV2
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BU of 4zv2 by Molmil
An ancestral arginine-binding protein bound to glutamine
分子名称: AncQR, GLUTAMINE
著者Clifton, B.E, Jackson, C.J.
登録日2015-05-18
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Ancestral Protein Reconstruction Yields Insights into Adaptive Evolution of Binding Specificity in Solute-Binding Proteins.
Cell Chem Biol, 23, 2016
6AML
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BU of 6aml by Molmil
Phosphotriesterase variant S8
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
著者Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
登録日2017-08-09
公開日2018-08-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Phosphotriesterase variant S8
To Be Published
6B2F
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BU of 6b2f by Molmil
Phosphotriesterase variant S5 + TS analogue
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase, ZINC ION, ...
著者Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
登録日2017-09-20
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.775 Å)
主引用文献Phosphotriesterase variant S5 + TS analogue
To Be Published
6BH7
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BU of 6bh7 by Molmil
Phosphotriesterase variant R18+254S
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
著者Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
登録日2017-10-30
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Phosphotriesterase variant R18+254S
To Be Published
6BHK
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BU of 6bhk by Molmil
Phosphotriesterase variant R18deltaL7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase, ZINC ION
著者Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
登録日2017-10-30
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Phosphotriesterase variant R18deltaL7
To Be Published
6BQE
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BU of 6bqe by Molmil
Low-resolution structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa in space group P4322.
分子名称: ACETATE ION, Arogenate dehydratase
著者Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2017-11-27
公開日2017-12-13
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
6BHL
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BU of 6bhl by Molmil
Phosphotriesterase variant S5deltaL7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
著者Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
登録日2017-10-30
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Phosphotriesterase variant S5deltaL7
To Be Published
6BM9
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BU of 6bm9 by Molmil
Directed evolutionary changes in MBL super family - VIM-2 Round 10
分子名称: GLYCEROL, Metallo-beta-lactamase, ZINC ION
著者Hong, N.-S, Jackson, C.J, Carr, P.D.
登録日2017-11-13
公開日2018-11-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Cryptic genetic variation shapes the adaptive evolutionary potential of enzymes.
Elife, 8, 2019
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
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
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
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

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