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5KKW
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BU of 5kkw by Molmil
Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)
分子名称: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, Cyclohexadienyl dehydratase, SULFATE ION
著者Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2016-06-22
公開日2017-07-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)
To Be Published
9C5D
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BU of 9c5d by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing (2S,3S)-4-Fluorovaline
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ACETATE ION, ...
著者Frkic, R.L, Jackson, C.J.
登録日2024-06-06
公開日2024-10-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献1.3 angstrom Crystal Structure of E. coli Peptidyl-Prolyl Isomerase B with Uniform Substitution of Valine by (2 S ,3 S )-4-Fluorovaline Reveals Structure Conservation and Multiple Staggered Rotamers of CH 2 F Groups.
Biochemistry, 63, 2024
5DQ6
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BU of 5dq6 by Molmil
Mus musculus A20 OTU domain
分子名称: Tumor necrosis factor alpha-induced protein 3
著者Mabbitt, P.D, Jackson, C.J.
登録日2015-09-14
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mus musculus A20 OTU domain
To Be Published
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
4UAM
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BU of 4uam by Molmil
1.8 Angstrom crystal structure of IMP-1 metallo-beta-lactamase with a mixed iron-zinc center in the active site
分子名称: CITRATE ANION, FE (III) ION, IMP-1 metallo-beta-lactamase, ...
著者Carruthers, T.J, Carr, P.D, Jackson, C.J, Otting, G.
登録日2014-08-11
公開日2014-09-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Iron(III) Located in the Dinuclear Metallo-beta-Lactamase IMP-1 by Pseudocontact Shifts.
Angew.Chem.Int.Ed.Engl., 53, 2014
6WKB
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BU of 6wkb by Molmil
Human S-adenosylmethionine synthetase co-crystallized with UppNHp and Met
分子名称: 1,2-ETHANEDIOL, 5'-deoxyuridine, D-METHIONINE, ...
著者Tan, L.L, Jackson, C.J.
登録日2020-04-15
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献S-adenosylmethionine synthetase
To Be Published
5W6B
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BU of 5w6b by Molmil
Phosphotriesterase variant S1
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2017-06-16
公開日2018-12-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.739 Å)
主引用文献Phosphotriesterase variant S1
To Be Published
5WCR
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BU of 5wcr by Molmil
Phosphotriesterase variant R0deltaL7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R0, ...
著者Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
登録日2017-07-01
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Phosphotriesterase variant R0deltaL7
To Be Published
5WIZ
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BU of 5wiz by Molmil
Phosphotriesterase variant S5
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2017-07-21
公開日2019-01-23
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Phosphotriesterase variant S5
To Be Published
5WCQ
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BU of 5wcq by Molmil
Phosphotriesterase variant S2
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2017-07-01
公開日2018-07-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.576 Å)
主引用文献Phosphotriesterase variant S2
To Be Published
5W7H
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BU of 5w7h by Molmil
Supercharged arPTE variant R5
分子名称: Phosphotriesterase, ZINC ION
著者Campbell, E, Grant, J, Wang, Y, Sandhu, M, Williams, R.J, Nisbet, D.R, Perriman, A, Lupton, D, Jackson, C.J.
登録日2017-06-19
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Hydrogel-Immobilized Supercharged Proteins
Adv Biosyst, 2018
5WCW
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BU of 5wcw by Molmil
Phosphotriesterase variant S3
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2017-07-02
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.457 Å)
主引用文献Phosphotriesterase variant S4
To Be Published
5WJ0
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BU of 5wj0 by Molmil
Phosphotriesterase variant S5+254R
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2017-07-21
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Phosphotriesterase variant S5+254R
To Be Published
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
5WMS
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BU of 5wms by Molmil
Phosphotriesterase variant S7
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2017-07-31
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Phosphotriesterase variant S7
To Be Published
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
5WCP
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BU of 5wcp by Molmil
Phosphotriesterase variant S7
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2017-07-01
公開日2019-01-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Phosphotriesterase variant S7
To Be Published
8D1D
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BU of 8d1d by Molmil
PROSS PETase
分子名称: CALCIUM ION, Poly(ethylene terephthalate) hydrolase
著者Vongsouthi, V, Jackson, C.J, Tan, L.
登録日2022-05-27
公開日2022-09-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献PROSS PETase
To Be Published
8E07
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BU of 8e07 by Molmil
Crystal structure of HPSE P6 in complex with triose pentosan inhibitor
分子名称: 2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, AMMONIUM ION, ...
著者Whitefield, C, Jackson, C.J.
登録日2022-08-08
公開日2023-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Complex Inhibitory Mechanism of Glycomimetics with Heparanase.
Biochemistry, 62, 2023
8E08
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BU of 8e08 by Molmil
Crystal structure of HPSE P6 in complex with tetraose pentosan inhibitor
分子名称: 2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, Heparanase 50 kDa subunit, ...
著者Whitefield, C, Jackson, C.J.
登録日2022-08-08
公開日2023-07-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Complex Inhibitory Mechanism of Glycomimetics with Heparanase.
Biochemistry, 62, 2023
8E5H
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BU of 8e5h by Molmil
Old Yellow Enzyme 5 (PcOYE5) from Pseudomonas chloritidismutans
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, NADH:flavin oxidoreductase
著者Frkic, R.L, Jackson, C.J.
登録日2022-08-22
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Old Yellow Enzyme 5 (PcOYE5) from Pseudomonas chloritidismutans
To Be Published
8E5I
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BU of 8e5i by Molmil
Old Yellow Enzyme 1 (NpOYE1) from Neptuniibacter sp.
分子名称: 1,2-ETHANEDIOL, Alkene reductase, DI(HYDROXYETHYL)ETHER, ...
著者Frkic, R.L, Jackson, C.J.
登録日2022-08-22
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Old Yellow Enzyme 1 (NpOYE1) from Neptuniibacter sp.
To Be Published
8EKG
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BU of 8ekg by Molmil
MHETase variant Thr159Val, Met192Tyr, Tyr252Phe, Tyr503Trp
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-09-20
公開日2023-10-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Increasing the Soluble Expression and Whole-Cell Activity of the Plastic-Degrading Enzyme MHETase through Consensus Design.
Biochemistry, 63, 2024
5TYL
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BU of 5tyl by Molmil
alpha-esterase-7 in complex with naphthalen-2-ylboronic acid
分子名称: Carboxylic ester hydrolase, naphthalen-2-ylboronic acid
著者Correy, G.J, Jackson, C.J.
登録日2016-11-21
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019
5TYP
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BU of 5typ by Molmil
alpha-esterase-7 in complex with (3-bromo-4-methylphenyl)boronic acid
分子名称: (3-bromo-4-methylphenyl)boronic acid, Carboxylic ester hydrolase
著者Correy, G.J, Jackson, C.J.
登録日2016-11-21
公開日2017-12-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Overcoming insecticide resistance through computational inhibitor design.
Proc.Natl.Acad.Sci.USA, 116, 2019

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