1BI3
 
 | | STRUCTURE OF APO-AND HOLO-DIPHTHERIA TOXIN REPRESSOR | | Descriptor: | DIPHTHERIA TOXIN REPRESSOR, SULFATE ION, ZINC ION | | Authors: | Pohl, E, Hol, W.G.J. | | Deposit date: | 1998-06-21 | | Release date: | 1999-06-22 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Motion of the DNA-binding domain with respect to the core of the diphtheria toxin repressor (DtxR) revealed in the crystal structures of apo- and holo-DtxR.
J.Biol.Chem., 273, 1998
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7S4F
 | | Protein Tyrosine Phosphatase 1B - F182Q mutant bound with Hepes | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Brandao, T.A.S, Hengge, A.C, Johnson, S.J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 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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4UFP
 | | Laboratory evolved variant R-C1B1D33 of potato epoxide hydrolase StEH1 | | Descriptor: | EPOXIDE HYDROLASE | | Authors: | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | | Deposit date: | 2015-03-17 | | Release date: | 2016-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
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4UFO
 | | Laboratory evolved variant R-C1B1D33E6 of potato epoxide hydrolase StEH1 | | Descriptor: | EPOXIDE HYDROLASE | | Authors: | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | | Deposit date: | 2015-03-17 | | Release date: | 2016-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis.
Chembiochem, 17, 2016
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6FG0
 | | Crystal structure of R. ruber ADH-A, mutant Y54G, F43T, L119Y, F282W | | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | Deposit date: | 2018-01-09 | | Release date: | 2018-12-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Stereo- and Regioselectivity in Catalyzed Transformation of a 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone by Wild Type and Laboratory Evolved Alcohol Dehydrogenases
Acs Catalysis, 8, 2018
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6FWK
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6G82
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6G0A
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6GMU
 | | Serum paraoxonase-1 by directed evolution with the L69G/H134R/F222S/T332S mutations | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ben-David, M, Sussman, J.L, Tawfik, D.S. | | Deposit date: | 2018-05-28 | | Release date: | 2019-04-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
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6H0A
 | | Serum paraoxonase-1 by directed evolution with the L69G/H115W/H134R/F222S/T332S mutations | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, CALCIUM ION, ... | | Authors: | Ben-David, M, Sussman, J.L, Tawfik, D.S. | | Deposit date: | 2018-07-07 | | Release date: | 2019-07-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Enzyme Evolution: An Epistatic Ratchet versus a Smooth Reversible Transition.
Mol.Biol.Evol., 37, 2020
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6PYP
 | | Binary Complex of Human Glycerol 3-Phosphate Dehydrogenase, R269A mutant | | Descriptor: | 2,2-bis(hydroxymethyl)propane-1,3-diol, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ... | | Authors: | Gulick, A.M. | | Deposit date: | 2019-07-30 | | Release date: | 2020-07-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Modeling the Role of a Flexible Loop and Active Site Side Chains in Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase.
Acs Catalysis, 10, 2020
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4YSJ
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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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4YJN
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6I8A
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6MES
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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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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
 | | 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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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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6XEG
 | | Crystal structure of the PTP1B YopH WPD loop Chimera 4 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 (2.549 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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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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6AX8
 | | Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with methionyl-adenylate | | Descriptor: | Methionine-tRNA ligase, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate | | Authors: | Barros-Alvarez, X, Hol, W.G.J. | | Deposit date: | 2017-09-06 | | Release date: | 2018-04-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The crystal structure of the drug target Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with a catalytic intermediate.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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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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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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