5WL8
 
 | | Crystal structure of chalcone isomerase engineered from ancestral inference (epR4) | | Descriptor: | Engineered Chalcone Isomerase epR4, 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 (1.58 Å) | | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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5WKR
 | | Crystal structure of chalcone isomerase engineered from ancestral inference complexed with naringenin (ancCC) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Engineered Chalcone Isomerase ancCC, ... | | 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 (1.4 Å) | | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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5WL4
 | | Crystal structure of chalcone isomerase engineered from ancestral inference (ancR3) | | Descriptor: | Engineered Chalcone Isomerase ancR3, 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 (2 Å) | | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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6E8Y
 | | Unliganded Human Glycerol 3-Phosphate Dehydrogenase | | Descriptor: | 2,2-bis(hydroxymethyl)propane-1,3-diol, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ... | | Authors: | Mydy, L.S, Gulick, A.M. | | Deposit date: | 2018-07-31 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Biochemistry, 58, 2019
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6E90
 | | Ternary complex of human glycerol 3-phosphate dehydrogenase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, CALCIUM ION, ... | | Authors: | Mydy, L.S, Gulick, A.M. | | Deposit date: | 2018-07-31 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Biochemistry, 58, 2019
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6E8Z
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5AJ9
 | | G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARYLSULFATASE, CALCIUM ION, ... | | Authors: | Miton, C.M, Fischer, G, Jonas, S, Mohammed, M.F, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | | Deposit date: | 2015-02-20 | | Release date: | 2016-03-16 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2 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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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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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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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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7Z6R
 | | Psychrobacter arcticus ATPPRT (HisGZ) R56A mutant bound to ATP and PRPP | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | | Authors: | Alphey, M.S, Fisher, G, da Silva, R.G. | | Deposit date: | 2022-03-14 | | Release date: | 2022-03-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation.
Nat Commun, 13, 2022
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7Z8U
 | | Catalytic subunit HisG R56A mutant from Psychrobacter arcticus ATPPRT (HisGZ) in complex with ATP and PRPP | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | | Authors: | Alphey, M.S, Fisher, G, da Silva, R.G. | | Deposit date: | 2022-03-18 | | Release date: | 2022-03-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation.
Nat Commun, 13, 2022
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5OD3
 | | Crystal structure of R. ruber ADH-A, mutant Y54G, L119Y | | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | Deposit date: | 2017-07-04 | | Release date: | 2018-07-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.83 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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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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7L0C
 | | Ligand-free PTP1B T177G | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 1 | | 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 (1.8 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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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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7L0I
 | | Ligand-free YopH G352T | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Protein-tyrosine-phosphatase | | 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 (2.02 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
 | | 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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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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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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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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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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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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