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5EBK
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BU of 5ebk by Molmil
Trypanothione reductase in complex with 6-(sec-butoxy)-2-((3-chlorophenyl)thio)pyrimidin-4-amine
Descriptor: 6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Ilari, A, Angiulli, G.
Deposit date:2015-10-19
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Inhibition of Leishmania infantum trypanothione reductase by diaryl sulfide derivatives.
J Enzyme Inhib Med Chem, 32, 2017
1UVH
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BU of 1uvh by Molmil
X-ray structure of Dps from Mycobacterium smegmatis
Descriptor: FE (III) ION, STARVATION-INDUCED DNA PROTECTING PROTEIN
Authors:Ilari, A, Ceci, P, Falvo, E, Chiancone, E.
Deposit date:2004-01-20
Release date:2005-02-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Reassessment of Protein Stability, DNA Binding, and Protection of Mycobacterium Smegmatis Dps.
J.Biol.Chem., 280, 2005
2X17
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BU of 2x17 by Molmil
The X-ray structure of Ferritin from Pyrococcus furiosus loaded with Ag(I)
Descriptor: PUTATIVE FERRITIN HOMOLOG, SILVER ION
Authors:Ilari, A, Fiorillo, A, Ceci, P.
Deposit date:2009-12-22
Release date:2010-04-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Silver Ion Incorporation and Nanoparticle Formation Inside the Cavity of Pyrococcus Furiosus Ferritin: Structural and Size-Distribution Analyses.
J.Am.Chem.Soc., 132, 2010
5MRA
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BU of 5mra by Molmil
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
2YAU
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BU of 2yau by Molmil
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
2BMM
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BU of 2bmm by Molmil
X-ray structure of a novel thermostable hemoglobin from the actinobacterium Thermobifida fusca
Descriptor: ACETATE ION, PROTOPORPHYRIN IX CONTAINING FE, THERMOSTABLE HEMOGLOBIN FROM THERMOBIFIDA FUSCA
Authors:Ilari, A, Franceschini, S, Bonamore, A, Boffi, A.
Deposit date:2005-03-15
Release date:2005-07-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:A Novel Thermostable Hemoglobin from the Actinobacterium Thermobifida Fusca.
FEBS J., 272, 2005
2XQV
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BU of 2xqv by Molmil
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
2XH8
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BU of 2xh8 by Molmil
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
2XY4
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BU of 2xy4 by Molmil
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
2IY4
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BU of 2iy4 by Molmil
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
4AW8
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BU of 4aw8 by Molmil
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
4AYH
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BU of 4ayh by Molmil
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
4BBP
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BU of 4bbp by Molmil
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
4ARH
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BU of 4arh by Molmil
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
2C41
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BU of 2c41 by Molmil
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
6TMM
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BU of 6tmm by Molmil
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
4F7R
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BU of 4f7r by Molmil
Crystal structure of 14-3-3 protein from Giardia intestinalis
Descriptor: 14-3-3 protein, SULFATE ION
Authors:Fiorillo, A, Ilari, A, Lalle, M.
Deposit date:2012-05-16
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Crystal Structure of Giardia duodenalis 14-3-3 in the Apo Form: When Protein Post-Translational Modifications Make the Difference.
Plos One, 9, 2014
8QYW
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BU of 8qyw by Molmil
Human Pyridoxine-5'-phosphate oxidase mutant R225H
Descriptor: FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, Pyridoxine-5'-phosphate oxidase
Authors:Antonelli, L, Ilari, A, Fiorillo, A.
Deposit date:2023-10-26
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.746 Å)
Cite:Identification of the pyridoxal 5'-phosphate allosteric site in human pyridox(am)ine 5'-phosphate oxidase.
Protein Sci., 33, 2024
8QYT
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BU of 8qyt by Molmil
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
8PF4
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BU of 8pf4 by Molmil
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
8PF5
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BU of 8pf5 by Molmil
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$l^{4}-diazinane-1-carboxamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Exertier, C, Antonelli, L, Fiorillo, A, Ilari, A.
Deposit date:2023-06-15
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Fragment Merging, Growing, and Linking Identify New Trypanothione Reductase Inhibitors for Leishmaniasis.
J.Med.Chem., 67, 2024
8PF3
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BU of 8pf3 by Molmil
Crystal structure of Trypanosoma brucei trypanothione reductase in complex with 1-(3,4-dichlorobenzyl)-4-(((5-((4-fluorophenethyl)carbamoyl)furan-2-yl)methyl)(4-fluorophenyl)carbamoyl)-1-(3-phenylpropyl)piperazin-1-ium
Descriptor: 4-[(3,4-dichlorophenyl)methyl]-~{N}-(4-fluorophenyl)-~{N}-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-yl]methyl]-4-(3-phenylpropyl)-1,4$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
6YLZ
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BU of 6ylz by Molmil
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
6YMH
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BU of 6ymh by Molmil
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
3S9F
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BU of 3s9f by Molmil
The structure of Tryparedoxin I from Leishmania major
Descriptor: MAGNESIUM ION, Tryparedoxin
Authors:Fiorillo, A, Ilari, A, Colotti, G.
Deposit date:2011-06-01
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structures of the tryparedoxin-tryparedoxin peroxidase couple unveil the structural determinants of Leishmania detoxification pathway.
Plos Negl Trop Dis, 6, 2012

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