2BKM
 
 | | Crystal structure of the truncated hemoglobin from Geobacillus stearothermophilus | | Descriptor: | ACETATE ION, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Ilari, A, Kjelgaard, P, von Wachenfeldt, C, Boffi, A, Chiancone, E. | | Deposit date: | 2006-02-08 | | Release date: | 2006-11-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure and Ligand Binding Properties of the Truncated Hemoglobin from Geobacillus Stearothermophilus
Arch.Biochem.Biophys., 457, 2007
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2VQ5
 | | X-ray structure of Norcoclaurine synthase from Thalictrum flavum in complex with dopamine and hydroxybenzaldehyde | | Descriptor: | ACETATE ION, CHLORIDE ION, L-DOPAMINE, ... | | Authors: | Ilari, A, Franceschini, S, Bonamore, A, Boffi, A. | | Deposit date: | 2008-03-11 | | Release date: | 2008-08-05 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural Basis of Enzymatic S-Norcoclaurine Biosynthesis.
J.Biol.Chem., 284, 2009
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2UZZ
 | | X-ray structure of N-methyl-L-tryptophan oxidase (MTOX) | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-METHYL-L-TRYPTOPHAN OXIDASE, SODIUM ION | | Authors: | Ilari, A, Fiorillo, A, Franceschini, S, Bonamore, A, Colotti, G, Boffi, A. | | Deposit date: | 2007-05-03 | | Release date: | 2008-01-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The X-Ray Structure of N-Methyltryptophan Oxidase Reveals the Structural Determinants of Substrate Specificity.
Proteins, 71, 2008
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2X17
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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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2VY0
 | | The X-ray structure of endo-beta-1,3-glucanase from Pyrococcus furiosus | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | Authors: | Ilari, A, Fiorillo, A. | | Deposit date: | 2008-07-15 | | Release date: | 2009-03-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal Structure of a Family 16 Endoglucanase from the Hyperthermophile Pyrococcus Furiosus-Structural Basis of Substrate Recognition.
FEBS J., 276, 2009
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4A25
 | | X-ray structure Dps from Kineococcus radiotolerans in complex with Mn (II) ions. | | Descriptor: | CHLORIDE ION, FERRITIN DPS FAMILY PROTEIN, MANGANESE (II) ION | | Authors: | Ilari, A, Fiorillo, A, Ardini, M, Stefanini, S, Chiancone, E. | | Deposit date: | 2011-09-22 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kineococcus Radiotolerans Dps Forms a Heteronuclear Mn-Fe Ferroxidase Center that May Explain the Mn-Dependent Protection Against Oxidative Stress.
Biochim.Biophys.Acta, 1830, 2013
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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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4ZQ0
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4U8D
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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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8QYW
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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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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$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Exertier, C, Ilari, A, Fiorillo, A, Antonelli, L. | | Deposit date: | 2023-06-15 | | Release date: | 2024-04-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis.
J.Med.Chem., 67, 2024
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8PF5
 | | Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium | | Descriptor: | 4-[(3,4-dichlorophenyl)methyl]-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$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 | | Last modified: | 2024-11-06 | | 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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4UQV
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5BY9
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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: | 2024-10-23 | | 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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6YLZ
 | | X-ray structure of the K72I,Y129F,R133L, H199A quadruple mutant of PNP-oxidase from E. coli | | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ... | | Authors: | Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A. | | Deposit date: | 2020-04-07 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.558 Å) | | Cite: | Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase.
J.Biol.Chem., 296, 2021
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6YMH
 | | X-ray structure of the K72I, Y129F, R133L, H199A quadruple mutant of PNP-oxidase from E. coli in complex with PLP | | Descriptor: | FLAVIN MONONUCLEOTIDE, PYRIDOXAL-5'-PHOSPHATE, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ... | | Authors: | Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.417 Å) | | Cite: | Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase.
J.Biol.Chem., 296, 2021
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7AHW
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7ALY
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7AMX
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7BGO
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4UZV
 | | Structure of a triple mutant of ASV-TfTrHb | | Descriptor: | ACETATE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Baiocco, P, Bonamore, A, Sciamanna, N, Ilari, A, Boechi, L, Boffi, A, Smulevich, G, Feis, A. | | Deposit date: | 2014-09-09 | | Release date: | 2014-09-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Role of Local Structure and Dynamics of Small Ligand Migration in Proteins: A Study of a Mutated Truncated Hemoprotein from Thermobifida Fusca by Time Resolved Mir Spectroscopy.
J.Phys.Chem.B, 118, 2014
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