8B77
 
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8B6K
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8B79
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8B76
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4Q1U
 | | Serum paraoxonase-1 by directed evolution with the K192Q mutation | | Descriptor: | BROMIDE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ben-David, M, Sussman, J.L, Tawfik, D.S. | | Deposit date: | 2014-04-04 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Catalytic stimulation by restrained active-site floppiness-the case of high density lipoprotein-bound serum paraoxonase-1.
J.Mol.Biol., 427, 2015
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430D
 | | STRUCTURE OF SARCIN/RICIN LOOP FROM RAT 28S RRNA | | Descriptor: | MAGNESIUM ION, SARCIN/RICIN LOOP FROM RAT 28S R-RNA | | Authors: | Correll, C.C, Munishkin, A, Chan, Y.L, Ren, Z, Wool, I.G, Steitz, T.A. | | Deposit date: | 1998-10-04 | | Release date: | 1998-10-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the ribosomal RNA domain essential for binding elongation factors.
Proc.Natl.Acad.Sci.USA, 95, 1998
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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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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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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
 | | 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
 | | 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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5WL6
 | | Crystal structure of chalcone isomerase engineered from ancestral inference (AncR7) | | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase AncR7 | | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | | Deposit date: | 2017-07-25 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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5NIW
 | | Glucose oxydase mutant A2 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hoffmann, K, Frank, D. | | Deposit date: | 2017-03-27 | | Release date: | 2017-11-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.
ACS Catal, 7, 2017
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5NIT
 | | Glucose oxidase mutant A2 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Hoffmann, K. | | Deposit date: | 2017-03-27 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.
ACS Catal, 7, 2017
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5WKS
 | | Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancR1) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Engineered Chalcone Isomerase ancR1, FORMIC ACID, ... | | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | | Deposit date: | 2017-07-25 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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5WL3
 | | Crystal structure of chalcone isomerase engineered from ancestral inference (ancR2) | | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase ancR2 | | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | | Deposit date: | 2017-07-25 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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5WL5
 | | Crystal structure of chalcone isomerase engineered from ancestral inference (ancR5) | | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase ancR5, SULFATE ION | | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | | Deposit date: | 2017-07-25 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.513 Å) | | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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5WL7
 | | Crystal structure of chalcone isomerase engineered from ancestral inference (ancCHI*) | | Descriptor: | CHLORIDE ION, Engineered Chalcone Isomerase ancCHI* | | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | | Deposit date: | 2017-07-25 | | Release date: | 2018-05-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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6R1P
 | | EthR ligand complex | | Descriptor: | 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one, HTH-type transcriptional regulator EthR | | Authors: | Pohl, E, Tatum, N. | | Deposit date: | 2019-03-14 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds.
J Phys Chem Lett, 10, 2019
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6R1S
 | | EthR ligand complex | | Descriptor: | 2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide, HTH-type transcriptional regulator EthR | | Authors: | Pohl, E, Tatum, N. | | Deposit date: | 2019-03-14 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds.
J Phys Chem Lett, 10, 2019
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6E8Z
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6I8A
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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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