5M6Z
 
 | | The X-ray structure of human M189I PGK-1 mutant in partially closed conformation | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ilari, A, Fiorillo, A, Petrosino, M, Cipollone, A. | | Deposit date: | 2016-10-26 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | The phosphoglycerate kinase 1 variants found in carcinoma cells display different catalytic activity and conformational stability compared to the native enzyme.
PLoS ONE, 13, 2018
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5MXM
 | | The X-ray structure of human M190I phosphoglycerate kinase 1 mutant | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Ilari, A, Fiorillo, A, Cipollone, A, Petrosino, M. | | Deposit date: | 2017-01-23 | | Release date: | 2018-02-14 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The phosphoglycerate kinase 1 variants found in carcinoma cells display different catalytic activity and conformational stability compared to the native enzyme.
PLoS ONE, 13, 2018
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5O7D
 | | The X-ray structure of human R38M phosphoglycerate kinase 1 mutant | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Phosphoglycerate kinase 1 | | Authors: | Ilari, A, Fiorillo, A, Cipollone, A, Petrosino, M. | | Deposit date: | 2017-06-08 | | Release date: | 2018-06-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The phosphoglycerate kinase 1 variants found in carcinoma cells display different catalytic activity and conformational stability compared to the native enzyme.
PLoS ONE, 13, 2018
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2IY4
 | | X-ray structure of Dps from Listeria monocytogenes | | Descriptor: | FE (III) ION, NON-HEME IRON-CONTAINING FERRITIN | | Authors: | Ilari, A, Bellapadrona, G, Stefanini, S, Chiancone, E. | | Deposit date: | 2006-07-12 | | Release date: | 2007-01-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | The Mutations Lys 114 --> Gln and Asp 126 --> Asn Disrupt an Intersubunit Salt Bridge and Convert Listeria Innocua Dps Into its Natural Mutant Listeria Monocytogenes Dps. Effects on Protein Stability at Low Ph.
Proteins, 66, 2007
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4AW8
 | | X-ray structure of ZinT from Salmonella enterica in complex with zinc ion and PEG | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Metal-binding protein ZinT, SODIUM ION, ... | | Authors: | Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E. | | Deposit date: | 2012-06-01 | | Release date: | 2013-06-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Salmonella Enterica Zint Structure, Zinc Affinity and Interaction with the High-Affinity Uptake Protein Znua Provide Insight Into the Management of Periplasmic Zinc.
Biochim.Biophys.Acta, 1840, 2014
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4AYH
 | | The X-ray structure of zinc bound ZinT | | Descriptor: | METAL-BINDING PROTEIN YODA, SULFATE ION, ZINC ION | | Authors: | Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E. | | Deposit date: | 2012-06-21 | | Release date: | 2013-07-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | The Salmonella Enterica Zint Structure, Zinc Affinity and Interaction with the High-Affinity Uptake Protein Znua Provide Insight Into the Management of Periplasmic Zinc.
Biochim.Biophys.Acta, 1840, 2014
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4BBP
 | | X-ray structure of zinc bound ZnuA in complex with RDS51 | | Descriptor: | 1-[(2-chlorophenyl)methyl]-N-hydroxy-4-phenyl-1H-pyrrole-3-carboxamide, SULFATE ION, ZINC ABC TRANSPORTER, ... | | Authors: | Alaleona, F, Ilari, A, Di Santo, R, Battistoni, A, Chiancone, E. | | Deposit date: | 2012-09-27 | | Release date: | 2013-10-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Salmonella Enterica Serovar Typhimurium Growth is Inhibited by the Concomitant Binding of Zn(II) and a Pyrrolyl-Hydroxamate to Znua, the Soluble Component of the Znuabc Transporter.
Biochim.Biophys.Acta, 1860, 2016
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4ARH
 | | X ray structure of the periplasmic zinc binding protein ZinT from Salmonella enterica | | Descriptor: | METAL-BINDING PROTEIN YODA, SULFATE ION | | Authors: | Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E. | | Deposit date: | 2012-04-24 | | Release date: | 2013-05-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Salmonella Enterica Zint Structure, Zinc Affinity and Interaction with the High-Affinity Uptake Protein Znua Provide Insight Into the Management of Periplasmic Zinc.
Biochim.Biophys.Acta, 1840, 2014
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5MRA
 | | human SCBD (sorcin calcium binding domain) in complex with doxorubicin | | Descriptor: | DIMETHYL SULFOXIDE, DOXORUBICIN, MAGNESIUM ION, ... | | Authors: | Ilari, A, Fiorillo, A, Colotti, G, Genovese, I. | | Deposit date: | 2016-12-22 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.74 Å) | | Cite: | Binding of doxorubicin to Sorcin impairs cell death and increases drug resistance in cancer cells.
Cell Death Dis, 8, 2017
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2X17
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2YAU
 | | X-ray structure of the Leishmania infantum tryopanothione reductase in complex with auranofin | | Descriptor: | 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Baiocco, P, Ilari, A, Colotti, G. | | Deposit date: | 2011-02-24 | | Release date: | 2012-01-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A Gold-Containing Drug Against Parasitic Polyamine Metabolism: The X-Ray Structure of Trypanothione Reductase from Leishmania Infantum in Complex with Auranofin Reveals a Dual Mechanism of Enzyme Inhibition.
Amino Acids, 42, 2012
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2XQV
 | | The X-ray structure of the Zn(II) bound ZnuA from Salmonella enterica | | Descriptor: | SULFATE ION, ZINC ABC TRANSPORTER, PERIPLASMIC ZINC-BINDING PROTEIN, ... | | Authors: | Alaleona, F, Ilari, A, Chiancone, E, Battistoni, A, Petrarca, P. | | Deposit date: | 2010-09-07 | | Release date: | 2011-04-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The X-Ray Structure of the Zinc Transporter Znua from Salmonella Enterica Discloses a Unique Triad of Zinc Coordinating Histidines.
J.Mol.Biol., 409, 2011
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2XH8
 | | X-ray structure of 119-141 ZnuA deletion mutant from Salmonella enterica. | | Descriptor: | SODIUM ION, SULFATE ION, ZINC ABC TRANSPORTER, ... | | Authors: | Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E. | | Deposit date: | 2010-06-09 | | Release date: | 2011-04-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | The X-Ray Structure of the Zinc Transporter Znua from Salmonella Enterica Discloses a Unique Triad of Zinc Coordinating Histidines.
J.Mol.Biol., 409, 2011
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2XY4
 | | X-RAY STRUCTURE OF ZNUA-WT FROM SALMONELLA ENTERICA | | Descriptor: | SULFATE ION, TRIETHYLENE GLYCOL, ZINC ABC TRANSPORTER, ... | | Authors: | Alaleona, F, Ilari, A, Battistoni, A, Petrarca, P, Chiancone, E. | | Deposit date: | 2010-11-15 | | Release date: | 2011-04-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | The X-Ray Structure of the Zinc Transporter Znua from Salmonella Enterica Discloses a Unique Triad of Zinc Coordinating Histidines.
J.Mol.Biol., 409, 2011
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2C41
 | | X-ray structure of Dps from Thermosynechococcus elongatus | | Descriptor: | CHLORIDE ION, DPS FAMILY DNA-BINDING STRESS RESPONSE PROTEIN, TETRAETHYLENE GLYCOL, ... | | Authors: | Ilari, A, Franceschini, S, Ceci, P, Chiancone, E. | | Deposit date: | 2005-10-14 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Antioxidant Dps Protein from the Thermophilic Cyanobacterium Thermosynechococcus Elongatus.
FEBS J., 273, 2006
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8QYW
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8QYT
 | | Human Pyridoxine-5'-phosphate oxidase in complex with PLP | | Descriptor: | BETA-MERCAPTOETHANOL, FLAVIN MONONUCLEOTIDE, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Antonelli, L, Ilari, A, Fiorillo, A. | | Deposit date: | 2023-10-26 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Identification of the pyridoxal 5'-phosphate allosteric site in human pyridox(am)ine 5'-phosphate oxidase.
Protein Sci., 33, 2024
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3S9F
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8PF3
 | | Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | | Descriptor: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. | | Deposit date: | 2023-06-15 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis.
J.Med.Chem., 67, 2024
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8PF5
 | | Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | | Descriptor: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Exertier, C, Antonelli, L, Fiorillo, A, Ilari, A. | | Deposit date: | 2023-06-15 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis.
J.Med.Chem., 67, 2024
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8PF4
 | | Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-methyl-1-(3-phenylpropyl)piperazin-1-ium | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. | | Deposit date: | 2023-06-15 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis.
J.Med.Chem., 67, 2024
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6TMM
 | | BIL2 domain from T.thermophila BUBL1 locus (C1A-N143A) | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Chiarini, V, Ilari, A. | | Deposit date: | 2019-12-04 | | Release date: | 2020-12-16 | | Last modified: | 2021-02-10 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | Structural basis of ubiquitination mediated by protein splicing in early Eukarya.
Biochim Biophys Acta Gen Subj, 1865, 2021
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7NVP
 | | Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ... | | Authors: | Battista, T, Fiorillo, A, Colotti, G, Ilari, A. | | Deposit date: | 2021-03-15 | | Release date: | 2022-03-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.153 Å) | | Cite: | Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach.
Acs Infect Dis., 8, 2022
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4UQV
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3TUE
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