7OOL
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![BU of 7ool by Molmil](/molmil-images/mine/7ool) | Crystal structure of a Candidatus photodesmus katoptron thioredoxin chimera containing an ancestral loop | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Gavira, J.A, Ibarra-Molero, B, Gamiz-Arco, G, Risso, V, Sanchez-Ruiz, J.M. | 登録日 | 2021-05-28 | 公開日 | 2021-11-10 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Combining Ancestral Reconstruction with Folding-Landscape Simulations to Engineer Heterologous Protein Expression. J.Mol.Biol., 433, 2021
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3SOI
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![BU of 3soi by Molmil](/molmil-images/mine/3soi) | Crystallographic structure of Bacillus licheniformis beta-lactamase W210F/W229F/W251F at 1.73 angstrom resolution | 分子名称: | Beta-lactamase, CITRIC ACID | 著者 | Acierno, J.P, Capaldi, S, Risso, V.A, Monaco, H.L, Ermacora, M.R. | 登録日 | 2011-06-30 | 公開日 | 2011-12-14 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.729 Å) | 主引用文献 | X-ray evidence of a native state with increased compactness populated by tryptophan-less B. licheniformis beta-lactamase. Protein Sci., 21, 2012
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6Z1M
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![BU of 6z1m by Molmil](/molmil-images/mine/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
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![BU of 6z1h by Molmil](/molmil-images/mine/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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4ULX
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![BU of 4ulx by Molmil](/molmil-images/mine/4ulx) | Crystal structure of ancestral thioredoxin, relative to the last common ancestor of the Cyanobacterial, Deinococcus and Thermus groups, LPBCA-L89K mutant. | 分子名称: | CHLORIDE ION, LPBCA-L89K THIOREDOXIN | 著者 | Gavira, J.A, Risso, V.A, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | 登録日 | 2014-05-14 | 公開日 | 2014-11-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Mutational Studies on Resurrected Ancestral Proteins Reveal Conservation of Site-Specific Amino Acid Preferences Throughout Evolutionary History. Mol.Biol.Evol., 32, 2015
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4UHU
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![BU of 4uhu by Molmil](/molmil-images/mine/4uhu) | W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase class A | 分子名称: | ACETATE ION, FORMIC ACID, GNCA LACTAMASE W229D | 著者 | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | 登録日 | 2015-03-25 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.305 Å) | 主引用文献 | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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6YRS
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![BU of 6yrs by Molmil](/molmil-images/mine/6yrs) | Structure of a new variant of GNCA ancestral beta-lactamase | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Gavira, J.A, Risso, V, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M, Modi, T, Ozkan, S.B. | 登録日 | 2020-04-20 | 公開日 | 2021-03-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Hinge-shift mechanism as a protein design principle for the evolution of beta-lactamases from substrate promiscuity to specificity. Nat Commun, 12, 2021
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6TXD
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![BU of 6txd by Molmil](/molmil-images/mine/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
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![BU of 6ty6 by Molmil](/molmil-images/mine/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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6TWW
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![BU of 6tww by Molmil](/molmil-images/mine/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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4C6Y
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![BU of 4c6y by Molmil](/molmil-images/mine/4c6y) | Ancestral PNCA (last common ancestors of Gram-positive and Gram- negative bacteria) beta-lactamase class A | 分子名称: | ACETATE ION, BETA-LACTAMASE, CHLORIDE ION, ... | 著者 | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M. | 登録日 | 2013-09-19 | 公開日 | 2014-04-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.799 Å) | 主引用文献 | Phenotypic Comparisons of Consensus Variants Versus Laboratory Resurrections of Precambrian Proteins. Proteins, 82, 2014
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4C75
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![BU of 4c75 by Molmil](/molmil-images/mine/4c75) | Consensus (ALL-CON) beta-lactamase class A | 分子名称: | ACETATE ION, BETA-LACTAMASE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M. | 登録日 | 2013-09-19 | 公開日 | 2014-04-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Phenotypic Comparisons of Consensus Variants Versus Laboratory Resurrections of Precambrian Proteins. Proteins, 82, 2014
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3ZDJ
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![BU of 3zdj by Molmil](/molmil-images/mine/3zdj) | |
4B88
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![BU of 4b88 by Molmil](/molmil-images/mine/4b88) | |
5FQM
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![BU of 5fqm by Molmil](/molmil-images/mine/5fqm) | Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase | 分子名称: | GLYCEROL, GNCA BETA LACTAMASE, SULFATE ION | 著者 | Martinez Rodriguez, S, Gavira, J.A, Risso, V.A, Sanchez Ruiz, J.M. | 登録日 | 2015-12-12 | 公開日 | 2017-01-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQK
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![BU of 5fqk by Molmil](/molmil-images/mine/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) | 分子名称: | 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W | 著者 | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | 登録日 | 2015-12-11 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.767 Å) | 主引用文献 | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQI
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![BU of 5fqi by Molmil](/molmil-images/mine/5fqi) | W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | 分子名称: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ... | 著者 | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | 登録日 | 2015-12-11 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQJ
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![BU of 5fqj by Molmil](/molmil-images/mine/5fqj) | W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog) | 分子名称: | 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D | 著者 | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | 登録日 | 2015-12-11 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.271 Å) | 主引用文献 | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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5FQQ
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![BU of 5fqq by Molmil](/molmil-images/mine/5fqq) | Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE | 著者 | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | 登録日 | 2015-12-14 | 公開日 | 2016-12-28 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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8P4G
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![BU of 8p4g by Molmil](/molmil-images/mine/8p4g) | Crystal structure of a multicopper oxidase 3F3 variant from Pyrobaculum aerophilum | 分子名称: | CHLORIDE ION, COPPER (II) ION, Multicopper oxidase | 著者 | Borges, P.T, Brissos, V, Frazao, C, Martins, L.O. | 登録日 | 2023-05-21 | 公開日 | 2024-02-21 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Flexible active-site loops fine-tune substrate specificity of hyperthermophilic metallo-oxidases. J.Biol.Inorg.Chem., 29, 2024
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7PKX
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![BU of 7pkx by Molmil](/molmil-images/mine/7pkx) | Crystal structure of a DyP-type peroxidase from Bacillus subtilis in P3121 space group | 分子名称: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Borges, P.T, Rodrigues, C, Silva, D, Taborda, A, Brissos, V, Frazao, C, Martins, L.O. | 登録日 | 2021-08-27 | 公開日 | 2021-10-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.491 Å) | 主引用文献 | Loops around the Heme Pocket Have a Critical Role in the Function and Stability of Bs DyP from Bacillus subtilis . Int J Mol Sci, 22, 2021
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7PL0
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![BU of 7pl0 by Molmil](/molmil-images/mine/7pl0) | Crystal structure of a DyP-type peroxidase 5G5 variant from Bacillus subtilis | 分子名称: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Borges, P.T, Rodrigues, C, Silva, D, Taborda, A, Brissos, V, Frazao, C, Martins, L.O. | 登録日 | 2021-08-27 | 公開日 | 2021-10-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Loops around the Heme Pocket Have a Critical Role in the Function and Stability of Bs DyP from Bacillus subtilis . Int J Mol Sci, 22, 2021
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7QVA
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![BU of 7qva by Molmil](/molmil-images/mine/7qva) | Crystal structure of a bacterial pyranose 2-oxidase in complex with mangiferin | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GMC oxidoreductase family protein, Mangiferin, ... | 著者 | Borges, P.T, Frazao, T, Taborda, T, Brissos, V, Frazao, C, Martins, L.O. | 登録日 | 2022-01-20 | 公開日 | 2023-08-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Mechanistic insights into glycoside 3-oxidases involved in C-glycoside metabolism in soil microorganisms. Nat Commun, 14, 2023
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6SYY
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![BU of 6syy by Molmil](/molmil-images/mine/6syy) | Crystal structure of McoA multicopper oxidase from the hyperthermophile Aquifex aeolicus | 分子名称: | COPPER (II) ION, OXYGEN ATOM, Periplasmic cell division protein (SufI) | 著者 | Borges, P.T, Brissos, V, Cordeiro, T.N, Martins, L.O, Frazao, C. | 登録日 | 2019-10-01 | 公開日 | 2020-06-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.794 Å) | 主引用文献 | The Methionine-Rich Loop of Multicopper Oxidase McoA follows Open-To-Close Transitions with a Role in Enzyme Catalysis Acs Catalysis, 2020
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6TTD
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![BU of 6ttd by Molmil](/molmil-images/mine/6ttd) | Crystal structure of McoA multicopper oxidase 2F4 variant from the hyperthermophile Aquifex aeolicus | 分子名称: | COPPER (II) ION, GLYCEROL, Multicopper oxidase, ... | 著者 | Borges, P.T, Brissos, V, Cordeiro, T.N, Martins, L.O, Frazao, C. | 登録日 | 2019-12-26 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase Acs Catalysis, 2022
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