5KKG
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![BU of 5kkg by Molmil](/molmil-images/mine/5kkg) | Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, IODIDE ION, ... | Authors: | Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. | Deposit date: | 2016-06-21 | Release date: | 2017-07-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.608 Å) | Cite: | Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases. J. Biol. Chem., 292, 2017
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5K27
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![BU of 5k27 by Molmil](/molmil-images/mine/5k27) | Crystal structure of ancestral protein ancMT of ADP-dependent sugar kinases family. | Descriptor: | ADENOSINE MONOPHOSPHATE, IODIDE ION, ancMT | Authors: | Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. | Deposit date: | 2016-05-18 | Release date: | 2017-05-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases. J. Biol. Chem., 292, 2017
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6C8Z
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![BU of 6c8z by Molmil](/molmil-images/mine/6c8z) | Last common ancestor of ADP-dependent phosphofructokinases from Methanosarcinales | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADP-dependent phosphofructokinase, MAGNESIUM ION, ... | Authors: | Castro-Fernandez, V, Gonzalez-Ordenes, F, Munoz, S, Fuentes, N, Leonardo, D, Fuentealba, M, Herrera-Morande, A, Maturana, P, Villalobos, P, Garratt, R. | Deposit date: | 2018-01-25 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | ADP-Dependent Kinases From the Archaeal OrderMethanosarcinalesAdapt to Salt by a Non-canonical Evolutionarily Conserved Strategy. Front Microbiol, 9, 2018
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7R8Z
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![BU of 7r8z by Molmil](/molmil-images/mine/7r8z) | Ancestral protein AncEn of Phosphomethylpyrimidine kinases family | Descriptor: | BETA-MERCAPTOETHANOL, D(-)-TARTARIC ACID, Phosphomethylpyrimidine Kinase | Authors: | Munoz, S, Fuentes-Ugarte, N, Maturana, P, Gonzalez-Ordenes, F, Cea, P, Castro-Fernandez, V. | Deposit date: | 2021-06-27 | Release date: | 2022-06-29 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Deciphering Structural Traits for Thermal and Kinetic Stability across Protein Family Evolution through Ancestral Sequence Reconstruction Mol.Biol.Evol., 41, 2024
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7R8Y
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![BU of 7r8y by Molmil](/molmil-images/mine/7r8y) | Ancestral protein AncThEn of Phosphomethylpyrimidine kinases family | Descriptor: | 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE, Phosphomethylpyrimidine Kinase | Authors: | Munoz, S, Maturana, P, Gonzalez-Ordenes, F, Cea, P, Castro-Fernandez, V. | Deposit date: | 2021-06-27 | Release date: | 2022-06-29 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Deciphering Structural Traits for Thermal and Kinetic Stability across Protein Family Evolution through Ancestral Sequence Reconstruction Mol.Biol.Evol., 41, 2024
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8G1H
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![BU of 8g1h by Molmil](/molmil-images/mine/8g1h) | Ancestral protein AncTh of Phosphomethylpirimidine kinases family | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, Phosphomethylpyrimidine Kinase | Authors: | Perez, M, Munoz, S, Cea, P, Castro-Fernandez, V. | Deposit date: | 2023-02-02 | Release date: | 2024-02-07 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Deciphering Structural Traits for Thermal and Kinetic Stability across Protein Family Evolution through Ancestral Sequence Reconstruction. Mol.Biol.Evol., 41, 2024
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8TNV
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![BU of 8tnv by Molmil](/molmil-images/mine/8tnv) | Hemocyanin Functional Unit CCHB-g of Concholepas concholepas | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Munoz, S, Vallejos-Baccelliere, G, Manubens, A, Salazar, M, Nascimento, A.F.Z, Ambrosio, A.L.B, Becker, M.I, Guixe, V, Castro-Fernandez, V. | Deposit date: | 2023-08-02 | Release date: | 2024-04-10 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into a functional unit from an immunogenic mollusk hemocyanin. Structure, 32, 2024
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5O5X
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![BU of 5o5x by Molmil](/molmil-images/mine/5o5x) | Crystal structure of Thermococcus litoralis ADP-dependent glucokinase (GK) | Descriptor: | ADP-dependent glucokinase,ADP-dependent glucokinase,ADP-dependent glucokinase, GLYCEROL, SULFATE ION | Authors: | Herrera-Morande, A, Castro-Fernandez, V, Merino, F, Ramirez-Sarmiento, C.A, Fernandez, F.J, Guixe, V, Vega, M.C. | Deposit date: | 2017-06-02 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.148 Å) | Cite: | Protein topology determines substrate-binding mechanism in homologous enzymes. Biochim Biophys Acta Gen Subj, 1862, 2018
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5O5Y
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![BU of 5o5y by Molmil](/molmil-images/mine/5o5y) | Crystal structure of Thermococcus litoralis ADP-dependent glucokinase (GK) | Descriptor: | ADP-dependent glucokinase,ADP-dependent glucokinase,ADP-dependent glucokinase, GLYCEROL, TRIETHYLENE GLYCOL, ... | Authors: | Herrera-Morande, A, Castro-Fernandez, V, Merino, F, Ramirez-Sarmiento, C.A, Fernandez, F.J, Guixe, V, Vega, M.C. | Deposit date: | 2017-06-02 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.915 Å) | Cite: | Protein topology determines substrate-binding mechanism in homologous enzymes. Biochim Biophys Acta Gen Subj, 1862, 2018
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5O5Z
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![BU of 5o5z by Molmil](/molmil-images/mine/5o5z) | CRYSTAL STRUCTURE OF THERMOCOCCUS LITORALIS ADP-DEPENDENT GLUCOKINASE (GK) | Descriptor: | 5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE, ADP-dependent glucokinase,ADP-dependent glucokinase,ADP-dependent glucokinase, GLYCEROL, ... | Authors: | Herrera-Morande, A, Castro-Fernandez, V, Merino, F, Ramirez-Sarmiento, C.A, Fernandez, F.J, Guixe, V, Vega, M.C. | Deposit date: | 2017-06-02 | Release date: | 2018-10-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.441 Å) | Cite: | Protein topology determines substrate-binding mechanism in homologous enzymes. Biochim Biophys Acta Gen Subj, 1862, 2018
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6XIO
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![BU of 6xio by Molmil](/molmil-images/mine/6xio) | ADP-dependent kinase complex with fructose-6-phosphate and ADPbetaS | Descriptor: | 5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE, 6-O-phosphono-beta-D-fructofuranose, ADP-dependent phosphofructokinase, ... | Authors: | Munoz, S, Gonzalez-Ordenes, F, Fuentes, N, Maturana, P, Herrera-Morande, A, Villalobos, P, Castro-Fernandez, V. | Deposit date: | 2020-06-20 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structure of an ancestral ADP-dependent kinase with fructose-6P reveals key residues for binding, catalysis, and ligand-induced conformational changes. J.Biol.Chem., 296, 2020
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5JX4
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![BU of 5jx4 by Molmil](/molmil-images/mine/5jx4) | Crystal structure of E36-G37del mutant of the Bacillus caldolyticus cold shock protein. | Descriptor: | Cold shock protein CspB, SULFATE ION | Authors: | Carvajal, A, Castro-Fernandez, V, Cabrejos, D, Fuentealba, M, Pereira, H.M, Vallejos, G, Cabrera, R, Garratt, R.C, Komives, E.A, Ramirez-Sarmiento, C.A, Babul, J. | Deposit date: | 2016-05-12 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unusual dimerization of a BcCsp mutant leads to reduced conformational dynamics. FEBS J., 284, 2017
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7L07
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![BU of 7l07 by Molmil](/molmil-images/mine/7l07) | Last common ancestor of HMPPK and PLK/HMPPK vitamin kinases | Descriptor: | ALUMINUM FLUORIDE, Ancestral Protein AncC | Authors: | Gonzalez-Ordenes, F, Maturana, P, Herrera-Morande, A, Araya, G, Arizabalos, S, Castro-Fernandez, V. | Deposit date: | 2020-12-11 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure and molecular dynamics simulations of a promiscuous ancestor reveal residues and an epistatic interaction involved in substrate binding and catalysis in the ATP-dependent vitamin kinase family members. Protein Sci., 30, 2021
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6XAT
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![BU of 6xat by Molmil](/molmil-images/mine/6xat) | Crystal structure of the human FoxP4 DNA binding Domain | Descriptor: | FOXP4 protein, SODIUM ION | Authors: | VIllalobos, P, Castro-Fernandez, V, Medina, E, Gonzalez-Ordenes, F, Maturana, P, Herrera-Morande, A, Ramirez-Sarmiento, C.A, Babul, J. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Unraveling the folding and dimerization properties of the human FoxP subfamily of transcription factors. Febs Lett., 597, 2023
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7LOL
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![BU of 7lol by Molmil](/molmil-images/mine/7lol) | The structure of Agmatinase from E. Coli at 1.8 A displaying urea and agmatine | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AGMATINE, Agmatinase, ... | Authors: | Maturana, P, Figueroa, M, Gonzalez-Ordenes, F, Villalobos, P, Martinez-Oyanedel, J, Uribe, E.A, Castro-Fernandez, V. | Deposit date: | 2021-02-10 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Escherichia coli Agmatinase: Catalytic Mechanism and Residues Relevant for Substrate Specificity. Int J Mol Sci, 22, 2021
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7LOX
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![BU of 7lox by Molmil](/molmil-images/mine/7lox) | The structure of Agmatinase from E. Coli at 3.2 A displaying guanidine in the active site | Descriptor: | Agmatinase, GUANIDINE, MANGANESE (II) ION | Authors: | Maturana, P, Figueroa, M, Gonzalez-Ordenes, F, Villalobos, P, Martinez-Oyanedel, J, Uribe, E.A, Castro-Fernandez, V. | Deposit date: | 2021-02-11 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structure of Escherichia coli Agmatinase: Catalytic Mechanism and Residues Relevant for Substrate Specificity. Int J Mol Sci, 22, 2021
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4B8S
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![BU of 4b8s by Molmil](/molmil-images/mine/4b8s) | Crystal Structure of Thermococcus litoralis ADP-dependent Glucokinase (GK) | Descriptor: | ADENOSINE MONOPHOSPHATE, ADP-DEPENDENT GLUCOKINASE, GLYCEROL, ... | Authors: | Herrera-Morande, A, Rivas-Pardo, J.A, Fernandez, F.J, Guixe, V, Vega, M.C. | Deposit date: | 2012-08-30 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal Structure, Saxs and Kinetic Mechanism of Hyperthermophilic Adp-Dependent Glucokinase from Thermococcus Litoralis Reveal a Conserved Mechanism for Catalysis. Plos One, 8, 2013
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4B8R
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![BU of 4b8r by Molmil](/molmil-images/mine/4b8r) | Crystal Structure of Thermococcus litoralis ADP-dependent Glucokinase (GK) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADP-DEPENDENT GLUCOKINASE, ... | Authors: | Herrera-Morande, A, Rivas-Pardo, J.A, Fernandez, F.J, Guixe, V, Vega, M.C. | Deposit date: | 2012-08-30 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure, Saxs and Kinetic Mechanism of Hyperthermophilic Adp-Dependent Glucokinase from Thermococcus Litoralis Reveal a Conserved Mechanism for Catalysis. Plos One, 8, 2013
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6XEQ
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![BU of 6xeq by Molmil](/molmil-images/mine/6xeq) | Crystal structure of the tetrameric 6-phosphogluconate dehydrogenase from Gluconobacter oxidans | Descriptor: | 6-phosphogluconate dehydrogenase, SULFATE ION | Authors: | Maturana, P, Roversi, P, Castro-Fernandez, V, Herrera-Morande, A, Garratt, R.C, Cabrera, R. | Deposit date: | 2020-06-13 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the 6-phosphogluconate dehydrogenase from Gluconobacter oxydans reveals tetrameric 6PGDHs as the crucial intermediate in the evolution of structure and cofactor preference in the 6PGDH family [version 1; peer review: 1 approved, 1 approved with reservations] Wellcome Open Res, 6, 2021
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