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7L0M
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BU of 7l0m by Molmil
Vanadate-bound YopH G352T
分子名称: Protein-tyrosine-phosphatase, VANADATE ION
著者Shen, R.D, Hengge, A.C, Johnson, S.J.
登録日2020-12-11
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
7L0H
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BU of 7l0h by Molmil
Vanadate-bound PTP1B T177G
分子名称: Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION
著者Shen, R.D, Hengge, A.C, Johnson, S.J.
登録日2020-12-11
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
4UHU
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BU of 4uhu by Molmil
W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase class A
分子名称: ACETATE ION, FORMIC ACID, GNCA LACTAMASE W229D
著者Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
登録日2015-03-25
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.305 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQQ
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BU of 5fqq by Molmil
Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE
著者Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M.
登録日2015-12-14
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQM
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BU of 5fqm by Molmil
Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase
分子名称: GLYCEROL, GNCA BETA LACTAMASE, SULFATE ION
著者Martinez Rodriguez, S, Gavira, J.A, Risso, V.A, Sanchez Ruiz, J.M.
登録日2015-12-12
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQK
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BU of 5fqk by Molmil
W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A bound to 5(6)-nitrobenzotriazole (TS-analog)
分子名称: 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W
著者Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
登録日2015-12-11
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.767 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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
5FQJ
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BU of 5fqj by Molmil
W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog)
分子名称: 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D
著者Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M.
登録日2015-12-11
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.271 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5FQI
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BU of 5fqi by Molmil
W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M.
登録日2015-12-11
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
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
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
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
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
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
8B67
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BU of 8b67 by Molmil
The crystal structure of M644G variant of DNA Pol Epsilon containing CTP in the polymerase active site
分子名称: ACETATE ION, CALCIUM ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Parkash, V, Johansson, E.
登録日2022-09-26
公開日2023-10-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B6K
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BU of 8b6k by Molmil
The crystal structure of M644G variant of DNA Pol Epsilon containing dCTP in the polymerase active site
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase epsilon catalytic subunit A, ...
著者Parkash, V, Johansson, E.
登録日2022-09-27
公開日2023-10-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B7E
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BU of 8b7e by Molmil
The crystal structure of N828V variant of DNA Pol Epsilon containing UTP in the polymerase active site
分子名称: CALCIUM ION, DNA polymerase epsilon catalytic subunit A, GLYCEROL, ...
著者Parkash, V, Johansson, E.
登録日2022-09-29
公開日2023-10-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B79
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BU of 8b79 by Molmil
The crystal structure of M644G variant of DNA Pol Epsilon containing UTP in the polymerase active site
分子名称: ACETATE ION, CALCIUM ION, DNA polymerase epsilon catalytic subunit A, ...
著者Parkash, V, Johansson, E.
登録日2022-09-29
公開日2023-10-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B77
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BU of 8b77 by Molmil
The crystal structure of N828V variant of DNA Pol Epsilon containing dATP in the polymerase active site
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA polymerase epsilon catalytic subunit A, ...
著者Parkash, V, Johansson, E.
登録日2022-09-29
公開日2023-10-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
8B76
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BU of 8b76 by Molmil
The crystal structure of M644G variant of DNA Pol Epsilon containing dTTP in the polymerase active site
分子名称: ACETATE ION, CALCIUM ION, DNA polymerase epsilon catalytic subunit A, ...
著者Parkash, V, Johansson, E.
登録日2022-09-28
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Nucleic Acids Res., 2023
6XEA
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BU of 6xea by Molmil
Crystal Structure of the PTP1B YopH WPD loop Chimera 3 bound to vanadate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ...
著者Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
登録日2020-06-12
公開日2021-12-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
6XEE
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BU of 6xee by Molmil
Crystal Structure of the PTP1B YopH WPD loop Chimera 4 apo form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, DI(HYDROXYETHYL)ETHER, ...
著者Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
登録日2020-06-12
公開日2021-12-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
6XE8
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BU of 6xe8 by Molmil
Crystal Structure of the PTP1B YopH WPD loop Chimera 3 apo form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ...
著者Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
登録日2020-06-12
公開日2021-12-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
6XED
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BU of 6xed by Molmil
Crystal Structure of the PTP1B YopH WPD loop Chimera 3 bound to tungstate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ...
著者Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
登録日2020-06-12
公開日2021-12-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022
6XEF
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BU of 6xef by Molmil
Crystal structure of the PTP1B YopH WPD loop Chimera 4 bound to vanadate
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ...
著者Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C.
登録日2020-06-12
公開日2021-12-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.048 Å)
主引用文献Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases.
Chem Sci, 13, 2022

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