6Z1M
| Structure of an Ancestral glycosidase (family 1) bound to heme | 分子名称: | 1,2-ETHANEDIOL, Ancestral reconstructed glycosidase, GLYCEROL, ... | 著者 | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Oshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | 登録日 | 2020-05-14 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun, 12, 2021
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6Z1H
| Ancestral glycosidase (family 1) | 分子名称: | ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ... | 著者 | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | 登録日 | 2020-05-13 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun, 12, 2021
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6CJO
| Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation. | 分子名称: | Chalcone--flavonone isomerase 1, SULFATE ION | 著者 | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | 登録日 | 2018-02-26 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases Acs Catalysis, 2019
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6MS8
| Crystal Structure of Chalcone Isomerase from Medicago Truncatula Complexed with (2S) Naringenin | 分子名称: | Chalcone-flavonone isomerase family protein, NARINGENIN | 著者 | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | 登録日 | 2018-10-16 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases Acs Catalysis, 2019
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6TWW
| Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | 分子名称: | ACETATE ION, Beta-Lactamase (GNCA4), FORMIC ACID, ... | 著者 | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | 登録日 | 2020-01-13 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci, 11, 2020
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6TXD
| Variant W229D/F290W-12 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | 分子名称: | ACETATE ION, Beta lactamase (GNCA4-12), FORMIC ACID, ... | 著者 | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | 登録日 | 2020-01-14 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci, 11, 2020
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6TY6
| Variant W229D/F290W-2 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) bound to 5(6)-nitrobenzotriazole (TS-analog) | 分子名称: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Beta lactamase (GNCA4-2), ... | 著者 | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L, Ortega-Munoz, M, Santoyo-Gonzalez, F. | 登録日 | 2020-01-15 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci, 11, 2020
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4UFN
| Laboratory evolved variant R-C1B1 of potato epoxide hydrolase StEH1 | 分子名称: | 1,4-DIETHYLENE DIOXIDE, EPOXIDE HYDROLASE | 著者 | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | 登録日 | 2015-03-17 | 公開日 | 2016-04-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Conformational Diversity and Enantioconvergence in Potato Epoxide Hydrolase 1. Org.Biomol.Chem., 14, 2016
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6CJN
| Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95T mutation | 分子名称: | Chalcone--flavonone isomerase 1, SULFATE ION | 著者 | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | 登録日 | 2018-02-26 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases Acs Catalysis, 2019
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5AJ9
| G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARYLSULFATASE, CALCIUM ION, ... | 著者 | Miton, C.M, Fischer, G, Jonas, S, Mohammed, M.F, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | 登録日 | 2015-02-20 | 公開日 | 2016-03-16 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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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5NIW
| Glucose oxydase mutant A2 | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | 著者 | Hoffmann, K, Frank, D. | 登録日 | 2017-03-27 | 公開日 | 2017-11-15 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase. ACS Catal, 7, 2017
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7S4F
| Protein Tyrosine Phosphatase 1B - F182Q mutant bound with Hepes | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ... | 著者 | Brandao, T.A.S, Hengge, A.C, Johnson, S.J. | 登録日 | 2021-09-08 | 公開日 | 2022-09-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Insights into the importance of WPD-loop sequence for activity and structure in protein tyrosine phosphatases. Chem Sci, 13, 2022
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5OD3
| Crystal structure of R. ruber ADH-A, mutant Y54G, L119Y | 分子名称: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | 著者 | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | 登録日 | 2017-07-04 | 公開日 | 2018-07-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | 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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7Z6R
| Psychrobacter arcticus ATPPRT (HisGZ) R56A mutant bound to ATP and PRPP | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | 著者 | Alphey, M.S, Fisher, G, da Silva, R.G. | 登録日 | 2022-03-14 | 公開日 | 2022-03-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | 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 | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | 著者 | Alphey, M.S, Fisher, G, da Silva, R.G. | 登録日 | 2022-03-18 | 公開日 | 2022-03-30 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation. Nat Commun, 13, 2022
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5NIT
| Glucose oxidase mutant A2 | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Hoffmann, K. | 登録日 | 2017-03-27 | 公開日 | 2017-11-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase. ACS Catal, 7, 2017
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4UFP
| Laboratory evolved variant R-C1B1D33 of potato epoxide hydrolase StEH1 | 分子名称: | EPOXIDE HYDROLASE | 著者 | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | 登録日 | 2015-03-17 | 公開日 | 2016-04-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | 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 | 分子名称: | EPOXIDE HYDROLASE | 著者 | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | 登録日 | 2015-03-17 | 公開日 | 2016-04-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis. Chembiochem, 17, 2016
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6C2C
| The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme | 分子名称: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ... | 著者 | Hong, N.-S, Jackson, C.J, Carr, P.D, Tokuriki, N, Baier, F, Yang, G. | 登録日 | 2018-01-08 | 公開日 | 2019-01-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.597 Å) | 主引用文献 | Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme. Nat.Chem.Biol., 15, 2019
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6PYP
| Binary Complex of Human Glycerol 3-Phosphate Dehydrogenase, R269A mutant | 分子名称: | 2,2-bis(hydroxymethyl)propane-1,3-diol, Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic, ... | 著者 | Gulick, A.M. | 登録日 | 2019-07-30 | 公開日 | 2020-07-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | 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 | 分子名称: | 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 | 著者 | Pohl, E, Tatum, N. | 登録日 | 2019-03-14 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 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 | 分子名称: | 2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide, HTH-type transcriptional regulator EthR | 著者 | Pohl, E, Tatum, N. | 登録日 | 2019-03-14 | 公開日 | 2020-02-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds. J Phys Chem Lett, 10, 2019
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7L0C
| Ligand-free PTP1B T177G | 分子名称: | Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Shen, R.D, Hengge, A.C, Johnson, S.J. | 登録日 | 2020-12-11 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | 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 | 分子名称: | Protein-tyrosine-phosphatase, VANADATE ION | 著者 | Shen, R.D, Hengge, A.C, Johnson, S.J. | 登録日 | 2020-12-11 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Protein-tyrosine-phosphatase | 著者 | Shen, R.D, Hengge, A.C, Johnson, S.J. | 登録日 | 2020-12-11 | 公開日 | 2021-05-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases. Jacs Au, 1, 2021
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