8BMV
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![BU of 8bmv by Molmil](/molmil-images/mine/8bmv) | Ligand binding domain of the P. Putida receptor McpH in complex with Uric acid | Descriptor: | Methyl-accepting chemotaxis protein McpH, URIC ACID | Authors: | Gavira, J.A, Krell, T, Fernandez, M, Martinez-Rodriguez, S. | Deposit date: | 2022-11-11 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Ubiquitous purine sensor modulates diverse signal transduction pathways in bacteria. Nat Commun, 15, 2024
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4US6
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![BU of 4us6 by Molmil](/molmil-images/mine/4us6) | New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels | Descriptor: | CALCIUM ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Gavira, J.A, Conejero-Muriel, M, Diaz-Mochon, J.J, Alvarez de Cienfuegos, L. | Deposit date: | 2014-07-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Influence of the Chirality of Short Peptide Supramolecular Hydrogels in Protein Crystallogenesis. Chem.Commun.(Camb.), 51, 2015
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7NUY
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7NUZ
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![BU of 7nuz by Molmil](/molmil-images/mine/7nuz) | Proteinase K structure at atomic resolution from crystals grown in agarose gel | Descriptor: | GLYCEROL, MAGNESIUM ION, NITRATE ION, ... | Authors: | Gavira, J.A, Artusio, F, Castellvi, A, Pisano, R. | Deposit date: | 2021-03-15 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Tuning Transport Phenomena in Agarose Gels for the Control of Protein Nucleation Density and Crystal Form Crystals, 2021
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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 | 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: | 2024-01-31 | 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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7Q1L
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![BU of 7q1l by Molmil](/molmil-images/mine/7q1l) | Glycosilated Human Serum Apo-tranferrin | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Gavira, J.A, Moreno, A, Campos-Escamilla, C, Gonzalez-Ramirez, L.A, Siliqi, D. | Deposit date: | 2021-10-20 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-ray Characterization of Conformational Changes of Human Apo- and Holo-Transferrin. Int J Mol Sci, 22, 2021
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7PRR
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![BU of 7prr by Molmil](/molmil-images/mine/7prr) | Structure of the ligand binding domain of the PctD (PA4633) chemoreceptor of Pseudomonas aeruginosa PAO1 in complex with acetylcholine | Descriptor: | ACETYLCHOLINE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gavira, J.A, Matilla, M.A, Martin-Mora, D, Krell, T. | Deposit date: | 2021-09-22 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine. Mbio, 13, 2022
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7PRQ
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![BU of 7prq by Molmil](/molmil-images/mine/7prq) | Structure of the ligand binding domain of the PctD (PA4633) chemoreceptor of Pseudomonas aeruginosa PAO1 in complex with choline. | Descriptor: | 1,2-ETHANEDIOL, CHOLINE ION, GLYCEROL, ... | Authors: | Gavira, J.A, Matilla, M.A, Martin-Mora, D, Krell, T. | Deposit date: | 2021-09-22 | Release date: | 2022-05-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine. Mbio, 13, 2022
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7PSG
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![BU of 7psg by Molmil](/molmil-images/mine/7psg) | Structure of the ligand binding domain of the PacA (ECA2226) chemoreceptor of Pectobacterium atrosepticum SCRI1043 in complex with betaine. | Descriptor: | GLYCEROL, Methyl-accepting chemotaxis protein, TRIMETHYL GLYCINE | Authors: | Gavira, J.A, Matilla, M.A, Velando, F, Krell, T. | Deposit date: | 2021-09-23 | Release date: | 2022-05-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine. Mbio, 13, 2022
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2OLP
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![BU of 2olp by Molmil](/molmil-images/mine/2olp) | Structure and ligand selection of hemoglobin II from Lucina pectinata | Descriptor: | Hemoglobin II, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gavira, J.A, Camara-Artigas, A, de Jesus, W, Lopez-Garriga, J, Garcia-Ruiz, J.M. | Deposit date: | 2007-01-19 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Structure and Ligand Selection of Hemoglobin II from Lucina pectinata J.Biol.Chem., 283, 2008
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5LTO
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![BU of 5lto by Molmil](/molmil-images/mine/5lto) | Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in complex with L-Gln | Descriptor: | GLUTAMINE, GLYCEROL, Methyl-accepting chemotaxis protein PctB, ... | Authors: | Gavira, J.A, Rico-Jimenez, M, Conejero-Muriel, M, Krell, T. | Deposit date: | 2016-09-07 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.459 Å) | Cite: | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities Mbio, 2020
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5LT9
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![BU of 5lt9 by Molmil](/molmil-images/mine/5lt9) | Ligand binding domain of Pseudomonas aeruginosa PAO1 amino acid chemoreceptors PctB in complex with L-Arg | Descriptor: | ARGININE, GLYCEROL, Methyl-accepting chemotaxis protein PctB, ... | Authors: | Gavira, J.A, Rico-Jimenez, M, Ortega, A, Conejero-Muriel, M, Zhulin, I, Krell, T. | Deposit date: | 2016-09-06 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | How Bacterial Chemoreceptors Evolve Novel Ligand Specificities Mbio, 2020
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5G3P
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![BU of 5g3p by Molmil](/molmil-images/mine/5g3p) | Bacillus cereus formamidase (BceAmiF) acetylated at the active site. | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gavira, J.A, Conejero-Muriel, M, Martinez-Rodriguez, S. | Deposit date: | 2016-04-29 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 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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8QME
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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. | Descriptor: | CHLORIDE ION, LPBCA-L89K THIOREDOXIN | Authors: | Gavira, J.A, Risso, V.A, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | Deposit date: | 2014-05-14 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 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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4UFQ
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![BU of 4ufq by Molmil](/molmil-images/mine/4ufq) | Structure of a novel Hyaluronidase (Hyal_Sk) from Streptomyces koganeiensis. | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Gavira, J.A, Messina, L, Pernagallo, S, Unciti-Broceta, J.D, Conejero-Muriel, M, Diaz-Mochon, J.J, Vaccaro, S, Caruso, S, Musumeci, L, Bisicchia, S, Di Pasquale, R. | Deposit date: | 2015-03-18 | Release date: | 2016-04-13 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Identification and Characterization of a Bacterial Hyaluronidase and its Production in Recombinant Form. FEBS Lett., 590, 2016
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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 | Descriptor: | ACETATE ION, FORMIC ACID, GNCA LACTAMASE W229D | Authors: | Gavira, J.A, Risso, V.A, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M. | Deposit date: | 2015-03-25 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.305 Å) | Cite: | De novo active sites for resurrected Precambrian enzymes. Nat Commun, 8, 2017
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3DC8
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8BV9
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![BU of 8bv9 by Molmil](/molmil-images/mine/8bv9) | Acylphosphatase from E. coli | Descriptor: | 1,2-ETHANEDIOL, Acylphosphatase, GLYCEROL, ... | Authors: | Gavira, J.A, Martinez-Rodriguez, S. | Deposit date: | 2023-01-18 | Release date: | 2023-10-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | First 3-D structural evidence of a native-like intertwined dimer in the acylphosphatase family. Biochem.Biophys.Res.Commun., 682, 2023
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6YC5
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6YBI
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6YBO
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6YBX
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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 | Descriptor: | 1,2-ETHANEDIOL, Ancestral reconstructed glycosidase, GLYCEROL, ... | Authors: | 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. | Deposit date: | 2020-05-14 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | 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) | Descriptor: | ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | 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. | Deposit date: | 2020-05-13 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun, 12, 2021
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