8P4G
 
 | | Crystal structure of a multicopper oxidase 3F3 variant from Pyrobaculum aerophilum | | Descriptor: | CHLORIDE ION, COPPER (II) ION, Multicopper oxidase | | Authors: | Borges, P.T, Brissos, V, Frazao, C, Martins, L.O. | | Deposit date: | 2023-05-21 | | Release date: | 2024-02-21 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Flexible active-site loops fine-tune substrate specificity of hyperthermophilic metallo-oxidases.
J.Biol.Inorg.Chem., 29, 2024
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6TTD
 | | Crystal structure of McoA multicopper oxidase 2F4 variant from the hyperthermophile Aquifex aeolicus | | Descriptor: | COPPER (II) ION, GLYCEROL, Multicopper oxidase, ... | | Authors: | Borges, P.T, Brissos, V, Cordeiro, T.N, Martins, L.O, Frazao, C. | | Deposit date: | 2019-12-26 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase
Acs Catalysis, 2022
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7PKX
 | | Crystal structure of a DyP-type peroxidase from Bacillus subtilis in P3121 space group | | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Borges, P.T, Rodrigues, C, Silva, D, Taborda, A, Brissos, V, Frazao, C, Martins, L.O. | | Deposit date: | 2021-08-27 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.491 Å) | | Cite: | 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
 | | Crystal structure of a DyP-type peroxidase 5G5 variant from Bacillus subtilis | | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Borges, P.T, Rodrigues, C, Silva, D, Taborda, A, Brissos, V, Frazao, C, Martins, L.O. | | Deposit date: | 2021-08-27 | | Release date: | 2021-10-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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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6SYY
 | | Crystal structure of McoA multicopper oxidase from the hyperthermophile Aquifex aeolicus | | Descriptor: | COPPER (II) ION, OXYGEN ATOM, Periplasmic cell division protein (SufI) | | Authors: | Borges, P.T, Brissos, V, Cordeiro, T.N, Martins, L.O, Frazao, C. | | Deposit date: | 2019-10-01 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.794 Å) | | Cite: | 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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7OOL
 | | Crystal structure of a Candidatus photodesmus katoptron thioredoxin chimera containing an ancestral loop | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Gavira, J.A, Ibarra-Molero, B, Gamiz-Arco, G, Risso, V, Sanchez-Ruiz, J.M. | | Deposit date: | 2021-05-28 | | Release date: | 2021-11-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Combining Ancestral Reconstruction with Folding-Landscape Simulations to Engineer Heterologous Protein Expression.
J.Mol.Biol., 433, 2021
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6YRS
 | | Structure of a new variant of GNCA ancestral beta-lactamase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gavira, J.A, Risso, V, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M, Modi, T, Ozkan, S.B. | | Deposit date: | 2020-04-20 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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
 | | Variant W229D/F290W-12 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | | Descriptor: | ACETATE ION, Beta lactamase (GNCA4-12), FORMIC ACID, ... | | Authors: | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | | Deposit date: | 2020-01-14 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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) | | Descriptor: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Beta lactamase (GNCA4-2), ... | | Authors: | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L, Ortega-Munoz, M, Santoyo-Gonzalez, F. | | Deposit date: | 2020-01-15 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
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6TWW
 | | Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) | | Descriptor: | ACETATE ION, Beta-Lactamase (GNCA4), FORMIC ACID, ... | | Authors: | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L. | | Deposit date: | 2020-01-13 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
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7QZA
 | | Crystal structure of a DyP-type peroxidase 29E4 variant from Pseudomonas putida | | Descriptor: | Dyp-type peroxidase family protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Borges, P.T, Silva, D, Frazao, C, Martins, L.O. | | Deposit date: | 2022-01-30 | | Release date: | 2022-08-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.698 Å) | | Cite: | Unveiling molecular details behind improved activity at neutral to alkaline pH of an engineered DyP-type peroxidase.
Comput Struct Biotechnol J, 20, 2022
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7QYZ
 | | Crystal structure of a DyP-type peroxidase 6E10 variant from Pseudomonas putida | | Descriptor: | Dyp-type peroxidase family protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Borges, P.T, Silva, D, Martins, L.O, Frazao, C. | | Deposit date: | 2022-01-30 | | Release date: | 2022-08-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.452 Å) | | Cite: | Unveiling molecular details behind improved activity at neutral to alkaline pH of an engineered DyP-type peroxidase.
Comput Struct Biotechnol J, 20, 2022
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7QYQ
 | | Crystal structure of a DyP-type peroxidase from Pseudomonas putida | | Descriptor: | Dyp-type peroxidase family protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Borges, P.T, Silva, D, Frazao, C, Martins, L.O. | | Deposit date: | 2022-01-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.599 Å) | | Cite: | Unveiling molecular details behind improved activity at neutral to alkaline pH of an engineered DyP-type peroxidase.
Comput Struct Biotechnol J, 20, 2022
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7QR6
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4A66
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: D116A mutant | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, PEROXIDE ION, ... | | Authors: | Silva, C.S, Lindley, P.F, Bento, I. | | Deposit date: | 2011-10-31 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism
Acta Crystallogr.,Sect.D, 68, 2012
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4A68
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: D116N mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, COPPER (II) ION, ... | | Authors: | Silva, C.S, Lindley, P.F, Bento, I. | | Deposit date: | 2011-10-31 | | Release date: | 2012-01-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism
Acta Crystallogr.,Sect.D, 68, 2012
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4A67
 | | Mutations in the neighbourhood of CotA-laccase trinuclear site: D116E mutant | | Descriptor: | COPPER (II) ION, PEROXIDE ION, SPORE COAT PROTEIN A | | Authors: | Silva, C.S, Lindley, P.F, Bento, I. | | Deposit date: | 2011-10-31 | | Release date: | 2012-01-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism
Acta Crystallogr.,Sect.D, 68, 2012
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7QVA
 | | Crystal structure of a bacterial pyranose 2-oxidase in complex with mangiferin | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GMC oxidoreductase family protein, Mangiferin, ... | | Authors: | Borges, P.T, Frazao, T, Taborda, T, Brissos, V, Frazao, C, Martins, L.O. | | Deposit date: | 2022-01-20 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanistic insights into glycoside 3-oxidases involved in C-glycoside metabolism in soil microorganisms.
Nat Commun, 14, 2023
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