3PT8
| Structure of HbII-III-CN from Lucina pectinata at pH 5.0 | Descriptor: | CYANIDE ION, FORMIC ACID, GLYCEROL, ... | Authors: | Gavira, J.A, Ruiz-Martinez, C.R, Nieves-Marrero, C.A, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | Deposit date: | 2010-12-02 | Release date: | 2011-12-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | New Crystallographic Structure of HbII-III-Oxy and CN forms from Lucina pectinata. To be Published
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5FQI
| W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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3PT7
| Structure of HbII-III-Oxy from Lucina pectinata at pH 5.0 | Descriptor: | GLYCEROL, Hemoglobin II, Hemoglobin III, ... | Authors: | Gavira, J.A, Ruiz-Martinez, C.R, Nieves-Marrero, C.A, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | Deposit date: | 2010-12-02 | Release date: | 2011-12-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | New Crystallographic Structure of HbII-III-Oxy and CN forms from Lucina pectinata. To be Published
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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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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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2YOI
| Crystal Structure of Ancestral Thioredoxin Relative to Last Eukaryotes Common Ancestor (LECA) from the Precambrian Period | Descriptor: | ACETATE ION, CHLORIDE ION, LECA THIOREDOXIN, ... | Authors: | Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | Deposit date: | 2012-10-24 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Conservation of protein structure over four billion years. Structure, 21, 2013
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2YPM
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2YN1
| Crystal Structure of Ancestral Thioredoxin Relative to Last Gamma- Proteobacteria Common Ancestor (LGPCA) from the Precambrian Period | Descriptor: | LGPCA THIOREDOXIN, TRIETHYLENE GLYCOL | Authors: | Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | Deposit date: | 2012-10-11 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Conservation of Protein Structure Over Four Billion Years Structure, 21, 2013
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5FQQ
| Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-14 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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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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5FQJ
| W229D mutant of the last common ancestor of Gram-negative bacteria (GNCA) beta-lactamase bound to 5(6)-nitrobenzotriazole (TS-analog) | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA LACTAMASE W229D | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.271 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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2YJ7
| Crystal structure of a hyperstable protein from the Precambrian period | Descriptor: | LPBCA THIOREDOXIN, SODIUM ION | Authors: | Gavira, J.A, Ingles, A, Ibarra, B, Garcia-Ruiz, J.M. | Deposit date: | 2011-05-19 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Conservation of Protein Structure Over Four Billion Years Structure, 21, 2013
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6YBF
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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) | Descriptor: | 6-NITROBENZOTRIAZOLE, GNCA4 LACTAMASE W229D AND F290W | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-12-11 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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3FWH
| Structure of haloalkane dehalogenase mutant Dha15 (I135F/C176Y) from Rhodococcus rhodochrous | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... | Authors: | Gavira, J.A, Stsiapanava, A, Kuty, M, Dohnalek, J, Lapkouski, M, Kuta Smatanova, I. | Deposit date: | 2009-01-18 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels. Acta Crystallogr.,Sect.D, 66, 2010
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2YNX
| Crystal Structure of Ancestral Thioredoxin Relative to Last Archaea Common Ancestor (LACA) from the Precambrian Period | Descriptor: | ACETATE ION, LACA THIOREDOXIN, SODIUM ION | Authors: | Gavira, J.A, Ingles-Prieto, A, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | Deposit date: | 2012-10-19 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | Conservation of Protein Structure Over Four Billion Years Structure, 21, 2013
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3G9X
| Structure of haloalkane dehalogenase DhaA14 mutant I135F from Rhodococcus rhodochrous | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... | Authors: | Gavira, J.A, Stsiapanava, A, Kuty, M, Lapkouski, M, Dohnalek, J, Kuta Smatanova, I. | Deposit date: | 2009-02-15 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels. Acta Crystallogr.,Sect.D, 66, 2010
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6S37
| Ligand binding domain of the P. putida receptor PcaY_PP in complex with salicylic acid | Descriptor: | 2-HYDROXYBENZOIC ACID, ACETATE ION, Aromatic acid chemoreceptor | Authors: | Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T. | Deposit date: | 2019-06-24 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structural basis for signal promiscuity in a bacterial chemoreceptor. Febs J., 288, 2021
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6S18
| Ligand binding domain of the P. putida receptor PcaY_PP in complex with glycerol | Descriptor: | Aromatic acid chemoreceptor, CHLORIDE ION, GLYCEROL | Authors: | Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T. | Deposit date: | 2019-06-18 | Release date: | 2020-10-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural basis for signal promiscuity in a bacterial chemoreceptor. Febs J., 288, 2021
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6S1A
| Ligand binding domain of the P. putida receptor PcaY_PP | Descriptor: | Aromatic acid chemoreceptor, SULFATE ION | Authors: | Gavira, J.A, Matilla, M.A, Fernandez, M, Krell, T. | Deposit date: | 2019-06-18 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.112 Å) | Cite: | The structural basis for signal promiscuity in a bacterial chemoreceptor. Febs J., 288, 2021
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6S3B
| Ligand binding domain of the P. putida receptor PcaY_PP in complex with benzoate | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aromatic acid chemoreceptor, ... | Authors: | Gavira, J.A, Mantilla, M.A, Fernandez, M, Krell, T. | Deposit date: | 2019-06-24 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The structural basis for signal promiscuity in a bacterial chemoreceptor. Febs J., 288, 2021
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5G3O
| Bacillus cereus formamidase (BceAmiF) inhibited with urea. | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, FORMAMIDASE, ... | Authors: | Gavira, J.A, Martinez-Rodriguez, S, Conejero-Muriel, M. | Deposit date: | 2016-04-29 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member. Arch.Biochem.Biophys., 662, 2019
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6F9G
| Ligand binding domain of P. putida KT2440 polyamine chemorecpetors McpU in complex putrescine. | Descriptor: | 1,4-DIAMINOBUTANE, ACETATE ION, GLYCEROL, ... | Authors: | Gavira, J.A, Conejero-Muriel, M.T, Ortega, A, Martin-Mora, D, Corral-Lugo, A, Morel, B, Krell, T. | Deposit date: | 2017-12-14 | Release date: | 2018-03-28 | Last modified: | 2018-06-13 | Method: | X-RAY DIFFRACTION (2.388 Å) | Cite: | Structural Basis for Polyamine Binding at the dCACHE Domain of the McpU Chemoreceptor from Pseudomonas putida. J. Mol. Biol., 430, 2018
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6YMZ
| Structure of the CheB methylsterase from P. atrosepticum SCRI1043 | Descriptor: | ACETATE ION, GLYCEROL, Protein-glutamate methylesterase/protein-glutamine glutaminase, ... | Authors: | Gavira, J.A, Krell, T, Velando-Soriano, F, Matilla, M.A. | Deposit date: | 2020-04-10 | Release date: | 2021-02-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evidence for Pentapeptide-Dependent and Independent CheB Methylesterases. Int J Mol Sci, 21, 2020
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6FU4
| Ligand binding domain (LBD) of the p. aeruginosa histamine receptor TlpQ | Descriptor: | ACETATE ION, GLYCEROL, HISTAMINE, ... | Authors: | Gavira, J.A, Krell, T, Conejero-Muriel, M, Corral-Lugo, A, Matilla, M.A, Silva Jimenez, H, Mesa Torres, N, Martin-Mora, D. | Deposit date: | 2018-02-26 | Release date: | 2018-05-16 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | High-Affinity Chemotaxis to Histamine Mediated by the TlpQ Chemoreceptor of the Human Pathogen Pseudomonas aeruginosa. MBio, 9, 2018
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