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3TUE
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BU of 3tue by Molmil
The structure of tryparedoxin peroxidase I from Leishmania major
分子名称: Tryparedoxin peroxidase
著者Fiorillo, A, Ilari, A, Colotti, G.
登録日2011-09-16
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The crystal structures of the tryparedoxin-tryparedoxin peroxidase couple unveil the structural determinants of leishmania detoxification pathway.
Plos Negl Trop Dis, 6, 2012
2JC2
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BU of 2jc2 by Molmil
The crystal structure of the natural F112L human sorcin mutant
分子名称: SORCIN, SULFATE ION
著者Franceschini, S, Ilari, A, Colotti, G, Chiancone, E.
登録日2006-12-19
公開日2007-08-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular Basis for the Impaired Function of the Natural F112L Sorcin Mutant: X-Ray Crystal Structure, Calcium Affinity, and Interaction with Annexin Vii and the Ryanodine Receptor.
Faseb J., 22, 2008
7NVP
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BU of 7nvp by Molmil
Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ...
著者Battista, T, Fiorillo, A, Colotti, G, Ilari, A.
登録日2021-03-15
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.153 Å)
主引用文献Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach.
Acs Infect Dis., 8, 2022
3G8M
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Serine Hydroxymethyltransferase Y55F Mutant
分子名称: PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase
著者Angelucci, F, Ilari, A.
登録日2009-02-12
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Role of a conserved active site cation-pi interaction in Escherichia coli serine hydroxymethyltransferase.
Biochemistry, 48, 2009
4ZQ0
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crystal structure of Giardia 14-3-3 in complex with the phosphopeptide A8Ap
分子名称: 14-3-3 protein, A8Ap phosphopeptide, PHOSPHATE ION
著者Fiorillo, A, Ilari, A.
登録日2015-05-08
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular Dynamics Simulations and Structural Analysis of Giardia duodenalis 14-3-3 Protein-Protein Interactions.
J.Chem.Inf.Model., 55, 2015
7AHW
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The crystal structure of gene product PA4063 from Pseudomonas aeruginosa
分子名称: Uncharacterized protein
著者Fiorillo, A, Ilari, A.
登録日2020-09-25
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献Structure and metal-binding properties of PA4063, a novel player in periplasmic zinc trafficking by Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
7ALY
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The crystal structure of gene product PA4063 from Pseudomonas aeruginosa in complex with Au(I) for phasing
分子名称: GOLD ION, PA4063 from Pseudomonas aeruginosa
著者Fiorillo, A, Ilari, A.
登録日2020-10-07
公開日2021-10-20
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and metal-binding properties of PA4063, a novel player in periplasmic zinc trafficking by Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
7AMX
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The crystal structure of gene product PA4063 from Pseudomonas aeruginosa in complex with zinc
分子名称: DUF2796 domain-containing protein, ZINC ION
著者Fiorillo, A, Ilari, A.
登録日2020-10-09
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure and metal-binding properties of PA4063, a novel player in periplasmic zinc trafficking by Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
7BGO
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The crystal structure of gene product PA4063 from Pseudomonas aeruginosa in complex with Zn (space group P65)
分子名称: DUF2796 domain-containing protein, ZINC ION
著者Fiorillo, A, Ilari, A.
登録日2021-01-08
公開日2021-11-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献Structure and metal-binding properties of PA4063, a novel player in periplasmic zinc trafficking by Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
4UQV
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methanococcus jannaschii serine hydroxymethyl-transferase in complex with PLP
分子名称: PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE
著者Saccoccia, F, Angelucci, F, Ilari, A.
登録日2014-06-25
公開日2014-07-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Crystal Structure of Archaeal Serine Hydroxymethyltransferase Reveals Idiosyncratic Features Likely Required to Withstand High Temperatures.
Proteins, 82, 2014
3KPF
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X-ray structure of the mutant Lys300Met of polyamine oxidase from Zea mays
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Fiorillo, A, Ilari, A, Tavladoraki, P.
登録日2009-11-16
公開日2010-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The crystal structure of the mutant K300M of polyamine oxidase from ZEA MAYS unveils the role of LYS300 in catalysis
To be Published
3KU9
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X-ray structure of the mutant lys300met of polyamine oxidase from zea mays in complex with spermine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Fiorillo, A, Ilari, A, Tavladoraki, P.
登録日2009-11-27
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The crystal structure of the mutant K300M of polyamine oxidase from ZEA MAYS unveils the role of LYS300 in catalysis
To be Published
3L1R
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BU of 3l1r by Molmil
X-ray structure of the mutant lys300met of polyamine oxidase from zea mays in complex with spermidine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Fiorillo, A, Ilari, A, Tavladoraki, P.
登録日2009-12-14
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The crystal structure of the mutant k300m of polyamine oxidase from zea mays unveils the role of lys300 in catalysis
To be Published
5BY9
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The crystal structure of polyglycilated 14-3-3 protein from Giardia intestinalis
分子名称: 14-3-3 protein
著者Fiorillo, A, Ilari, A, Lalle, M.
登録日2015-06-10
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Molecular Dynamics Simulations and Structural Analysis of Giardia duodenalis 14-3-3 Protein-Protein Interactions.
J.Chem.Inf.Model., 55, 2015
5SMJ
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Trypanothione reductase
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2022-03-05
公開日2023-03-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5M5J
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BU of 5m5j by Molmil
Thioredoxin reductase from Giardia duodenalis
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, Thioredoxin reductase
著者Fiorillo, A, Ilari, A, Lalle, M.
登録日2016-10-21
公開日2017-05-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural characterization of Giardia duodenalis thioredoxin reductase (gTrxR) and computational analysis of its interaction with NBDHEX.
Eur J Med Chem, 135, 2017
2JK6
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Structure of Trypanothione Reductase from Leishmania infantum
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TRYPANOTHIONE REDUCTASE
著者Baiocco, P, Colotti, G, Franceschini, S, Ilari, A.
登録日2008-08-21
公開日2009-04-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Molecular Basis of Antimony Treatment in Leishmaniasis.
J.Med.Chem., 52, 2009
4ADW
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CRYSTAL STRUCTURE OF LEISHMANIA INFANTUM TRYPANOTHIONE REDUCTASE IN COMPLEX WITH NADPH AND TRYPANOTHIONE
分子名称: BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Baiocco, P, Ilari, A, Colotti, G, Malatesta, F, Fiorillo, A.
登録日2012-01-04
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.
Chemmedchem, 8, 2013
4APN
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Structure of TR from Leishmania infantum in complex with a diarylpirrole-based inhibitor
分子名称: 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Baiocco, P, Ilari, A, Colotti, G, Biava, M.
登録日2012-04-04
公開日2013-04-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.
Chemmedchem, 8, 2013
2X50
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Crystal structure of Trypanothione reductase from Leishmania infantum in complex with NADPH and silver
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SILVER ION, ...
著者Baiocco, P, Ilari, A, Colotti, G.
登録日2010-02-03
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Inhibitory Effect of Silver Nanoparticles on Trypanothione Reductase Activity and Leishmania Infantum Proliferation
Acs Med.Chem.Lett., 2, 2011
5S9V
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PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434826
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9W
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PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z26769872
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9U
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PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z32327641
分子名称: BROMIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9S
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PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z2856434898
分子名称: 1-(phenylmethyl)-4-pyrrol-1-yl-piperidine, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022
5S9X
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PanDDA analysis group deposition -- Crystal Structure of Trypanosoma brucei Trypanothione reductase in complex with Z1899842917
分子名称: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Fiorillo, A, Ilari, A.
登録日2021-05-18
公開日2022-06-15
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design.
Front Mol Biosci, 9, 2022

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