8B77
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8B79
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8B76
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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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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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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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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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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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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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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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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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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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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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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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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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