7L0M
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![BU of 7l0m by Molmil](/molmil-images/mine/7l0m) | Vanadate-bound YopH G352T | Descriptor: | Protein-tyrosine-phosphatase, VANADATE ION | Authors: | Shen, R.D, Hengge, A.C, Johnson, S.J. | Deposit date: | 2020-12-11 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases. Jacs Au, 1, 2021
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7L0H
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![BU of 7l0h by Molmil](/molmil-images/mine/7l0h) | Vanadate-bound PTP1B T177G | Descriptor: | Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | Authors: | Shen, R.D, Hengge, A.C, Johnson, S.J. | Deposit date: | 2020-12-11 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases. Jacs Au, 1, 2021
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4UHU
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![BU of 4uhu by Molmil](/molmil-images/mine/4uhu) | W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase class A | Descriptor: | ACETATE ION, FORMIC ACID, GNCA LACTAMASE W229D | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-03-25 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.305 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQQ
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![BU of 5fqq by Molmil](/molmil-images/mine/5fqq) | Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-14 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQM
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![BU of 5fqm by Molmil](/molmil-images/mine/5fqm) | Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase | Descriptor: | GLYCEROL, GNCA BETA LACTAMASE, SULFATE ION | Authors: | Martinez Rodriguez, S, Gavira, J.A, Risso, V.A, Sanchez Ruiz, J.M. | Deposit date: | 2015-12-12 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQK
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![BU of 5fqk by Molmil](/molmil-images/mine/5fqk) | 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) | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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4CYR
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![BU of 4cyr by Molmil](/molmil-images/mine/4cyr) | G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa | Descriptor: | ARYLSULFATASE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2014-04-14 | Release date: | 2015-04-29 | Last modified: | 2019-07-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | 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
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5FQJ
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![BU of 5fqj by Molmil](/molmil-images/mine/5fqj) | W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog) | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.271 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQI
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![BU of 5fqi by Molmil](/molmil-images/mine/5fqi) | W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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4CYS
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![BU of 4cys by Molmil](/molmil-images/mine/4cys) | G6 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with Phenylphosphonic acid | Descriptor: | AMMONIUM ION, ARYLSULFATASE, CALCIUM ION, ... | Authors: | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2014-04-14 | Release date: | 2015-04-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | 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
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4CXU
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![BU of 4cxu by Molmil](/molmil-images/mine/4cxu) | G4 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa, in complex with 3-Br-Phenolphenylphosphonate | Descriptor: | 3-bromophenyl hydrogen (S)-phenylphosphonate, ARYLSULFATASE, CALCIUM ION | Authors: | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2014-04-08 | Release date: | 2015-04-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | 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
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4CXS
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![BU of 4cxs by Molmil](/molmil-images/mine/4cxs) | G4 mutant of PAS, arylsulfatase from Pseudomonas aeruginosa, in complex with Phenylphosphonic acid | Descriptor: | ARYLSULFATASE, CALCIUM ION, SULFATE ION, ... | Authors: | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2014-04-08 | Release date: | 2015-05-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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
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4CXK
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![BU of 4cxk by Molmil](/molmil-images/mine/4cxk) | G9 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa | Descriptor: | ARYLSULFATASE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Miton, C.M, Jonas, S, Mohammed, M.F, Fischer, G, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | Deposit date: | 2014-04-07 | Release date: | 2015-04-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | 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
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6C2C
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![BU of 6c2c by Molmil](/molmil-images/mine/6c2c) | The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ... | Authors: | Hong, N.-S, Jackson, C.J, Carr, P.D, Tokuriki, N, Baier, F, Yang, G. | Deposit date: | 2018-01-08 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.597 Å) | Cite: | Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme. Nat.Chem.Biol., 15, 2019
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8B67
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![BU of 8b67 by Molmil](/molmil-images/mine/8b67) | |
8B6K
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![BU of 8b6k by Molmil](/molmil-images/mine/8b6k) | |
8B7E
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![BU of 8b7e by Molmil](/molmil-images/mine/8b7e) | |
8B79
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![BU of 8b79 by Molmil](/molmil-images/mine/8b79) | |
8B77
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![BU of 8b77 by Molmil](/molmil-images/mine/8b77) | |
8B76
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![BU of 8b76 by Molmil](/molmil-images/mine/8b76) | |
6XEA
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![BU of 6xea by Molmil](/molmil-images/mine/6xea) | Crystal Structure of the PTP1B YopH WPD loop Chimera 3 bound to vanadate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ... | Authors: | Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C. | Deposit date: | 2020-06-12 | Release date: | 2021-12-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.549 Å) | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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6XEE
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![BU of 6xee by Molmil](/molmil-images/mine/6xee) | Crystal Structure of the PTP1B YopH WPD loop Chimera 4 apo form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C. | Deposit date: | 2020-06-12 | Release date: | 2021-12-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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6XE8
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![BU of 6xe8 by Molmil](/molmil-images/mine/6xe8) | Crystal Structure of the PTP1B YopH WPD loop Chimera 3 apo form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ... | Authors: | Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C. | Deposit date: | 2020-06-12 | Release date: | 2021-12-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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6XED
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![BU of 6xed by Molmil](/molmil-images/mine/6xed) | Crystal Structure of the PTP1B YopH WPD loop Chimera 3 bound to tungstate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ... | Authors: | Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C. | Deposit date: | 2020-06-12 | Release date: | 2021-12-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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6XEF
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![BU of 6xef by Molmil](/molmil-images/mine/6xef) | Crystal structure of the PTP1B YopH WPD loop Chimera 4 bound to vanadate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, MAGNESIUM ION, ... | Authors: | Olsen, K.J, Shen, R, Johnson, S.J, Hengge, A.C. | Deposit date: | 2020-06-12 | Release date: | 2021-12-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.048 Å) | Cite: | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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