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4USL
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BU of 4usl by Molmil
The X-ray structure of calcium bound human sorcin
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, SORCIN, ...
著者Ilari, A, Fiorillo, A, Colotti, G.
登録日2014-07-10
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Basis of Sorcin-Mediated Calcium-Dependent Signal Transduction.
Sci.Rep., 5, 2015
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
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
2YAU
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BU of 2yau by Molmil
X-ray structure of the Leishmania infantum tryopanothione reductase in complex with auranofin
分子名称: 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Baiocco, P, Ilari, A, Colotti, G.
登録日2011-02-24
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献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
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
3S9F
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BU of 3s9f by Molmil
The structure of Tryparedoxin I from Leishmania major
分子名称: MAGNESIUM ION, Tryparedoxin
著者Fiorillo, A, Ilari, A, Colotti, G.
登録日2011-06-01
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 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
4APN
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BU of 4apn by Molmil
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
4ADW
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BU of 4adw by Molmil
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
4U8D
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BU of 4u8d by Molmil
X-ray structure of Mg-bound human sorcin
分子名称: MAGNESIUM ION, Sorcin
著者Fiorillo, A, Ilari, A, Colotti, G.
登録日2014-08-02
公開日2015-08-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献INVESTIGATING THE CONFORMATIONAL CHANGES of SORCIN TO SHED LIGHT ON SIGNAL TRANSDUCTION IN THE APOPTOTIC PROCESS
To be published
4UPG
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BU of 4upg by Molmil
X-ray structure of calcium-free human sorcin
分子名称: DI(HYDROXYETHYL)ETHER, SORCIN, SULFATE ION
著者Ilari, A, Fiorillo, A, Colotti, G.
登録日2014-06-16
公開日2014-06-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis of Sorcin-Mediated Calcium-Dependent Signal Transduction.
Sci.Rep., 5, 2015
5MRA
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BU of 5mra by Molmil
human SCBD (sorcin calcium binding domain) in complex with doxorubicin
分子名称: DIMETHYL SULFOXIDE, DOXORUBICIN, MAGNESIUM ION, ...
著者Ilari, A, Fiorillo, A, Colotti, G, Genovese, I.
登録日2016-12-22
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.74 Å)
主引用文献Binding of doxorubicin to Sorcin impairs cell death and increases drug resistance in cancer cells.
Cell Death Dis, 8, 2017
2JK6
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BU of 2jk6 by Molmil
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
2W0H
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BU of 2w0h by Molmil
X ray structure of Leishmania infantum Trypanothione reductase in complex with antimony and NADPH
分子名称: ANTIMONY (III) ION, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Baiocco, P, Colotti, G, Franceschini, S, Ilari, A.
登録日2008-08-18
公開日2009-04-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular Basis of Antimony Treatment in Leishmaniasis.
J.Med.Chem., 52, 2009
2UZZ
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BU of 2uzz by Molmil
X-ray structure of N-methyl-L-tryptophan oxidase (MTOX)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-METHYL-L-TRYPTOPHAN OXIDASE, SODIUM ION
著者Ilari, A, Fiorillo, A, Franceschini, S, Bonamore, A, Colotti, G, Boffi, A.
登録日2007-05-03
公開日2008-01-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The X-Ray Structure of N-Methyltryptophan Oxidase Reveals the Structural Determinants of Substrate Specificity.
Proteins, 71, 2008
2X50
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BU of 2x50 by Molmil
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
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
分子名称: 6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Ilari, A, Angiulli, G.
登録日2015-10-19
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Inhibition of Leishmania infantum trypanothione reductase by diaryl sulfide derivatives.
J Enzyme Inhib Med Chem, 32, 2017
6Y75
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BU of 6y75 by Molmil
BIL2 domain from T.thermophila BUBL1 locus (C1A-N143A)
分子名称: DI(HYDROXYETHYL)ETHER, FORMIC ACID, NAD(P)(+)--arginine ADP-ribosyltransferase, ...
著者Ilari, A, Chiarini, V.
登録日2020-02-28
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of ubiquitination mediated by protein splicing in early Eukarya.
Biochim Biophys Acta Gen Subj, 1865, 2021
1GJY
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BU of 1gjy by Molmil
The X-ray structure of the Sorcin Calcium Binding Domain (SCBD) provides insight into the phosphorylation and calcium dependent processess
分子名称: SORCIN, SULFATE ION
著者Ilari, A, Johnson, K.A, Nastopoulos, V, Tsernoglou, D, Chiancone, E.
登録日2001-08-06
公開日2002-04-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Crystal Structure of the Sorcin Calcium Binding Domain Provides a Model of Ca(2+)-Dependent Processes in the Full-Length Protein
J.Mol.Biol., 317, 2002
6TMM
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BU of 6tmm by Molmil
BIL2 domain from T.thermophila BUBL1 locus (C1A-N143A)
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Chiarini, V, Ilari, A.
登録日2019-12-04
公開日2020-12-16
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献Structural basis of ubiquitination mediated by protein splicing in early Eukarya.
Biochim Biophys Acta Gen Subj, 1865, 2021
4K1F
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BU of 4k1f by Molmil
Crystal structure of reduced tryparedoxin peroxidase from leishmania major at 2.34 A resolution
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ilari, A, Fiorillo, A, Di Chiaro, F.
登録日2013-04-05
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure-based discovery of the first non-covalent inhibitors of Leishmania major tryparedoxin peroxidase by high throughput docking
Sci Rep, 5, 2015
6RB5
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BU of 6rb5 by Molmil
Trypanothione reductase in complex with 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide
分子名称: 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Ilari, A, Fiorillo, A, Battista, T, Mocci, S.
登録日2019-04-09
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献Spiro-containing derivatives show antiparasitic activity against Trypanosoma brucei through inhibition of the trypanothione reductase enzyme.
Plos Negl Trop Dis, 14, 2020
5SMJ
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BU of 5smj by Molmil
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
6ER5
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BU of 6er5 by Molmil
X-ray structure of Trypanothione Reductase from Leishmania infantum in complex with 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate
分子名称: 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Ilari, A, Fiorillo, A.
登録日2017-10-17
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Identification and binding mode of a novel Leishmania Trypanothione reductase inhibitor from high throughput screening.
Plos Negl Trop Dis, 12, 2018
5N9V
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BU of 5n9v by Molmil
NMR solution structure of ubl5 domain from polyubiquitin locus of T.thermophila.
分子名称: NAD(P)(+)--arginine ADP-ribosyltransferase
著者Chiarini, V, Tossavainen, H.
登録日2017-02-27
公開日2018-03-21
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献NMR structure of a non-conjugatable, ADP-ribosylation associated, ubiquitin-like domain from Tetrahymena thermophila polyubiquitin locus.
Biochim Biophys Acta Gen Subj, 1863, 2019
7UAX
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BU of 7uax by Molmil
The crystal structure of the K36A/K38A double mutant of E. coli YGGS in complex with PLP
分子名称: PHOSPHATE ION, Pyridoxal phosphate homeostasis protein
著者Donkor, A.K, Ghatge, M.S, Musayev, F.N, Safo, M.K.
登録日2022-03-14
公開日2022-03-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Characterization of the Escherichia coli pyridoxal 5'-phosphate homeostasis protein (YggS): Role of lysine residues in PLP binding and protein stability.
Protein Sci., 31, 2022

 

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