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PDB: 87 results

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:2024-10-23
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
4USL
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BU of 4usl by Molmil
The X-ray structure of calcium bound human sorcin
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, SORCIN, ...
Authors:Ilari, A, Fiorillo, A, Colotti, G.
Deposit date:2014-07-10
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis of Sorcin-Mediated Calcium-Dependent Signal Transduction.
Sci.Rep., 5, 2015
4UPG
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BU of 4upg by Molmil
X-ray structure of calcium-free human sorcin
Descriptor: DI(HYDROXYETHYL)ETHER, SORCIN, SULFATE ION
Authors:Ilari, A, Fiorillo, A, Colotti, G.
Deposit date:2014-06-16
Release date:2014-06-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Sorcin-Mediated Calcium-Dependent Signal Transduction.
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
Descriptor: 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, ...
Authors:Ilari, A, Fiorillo, A, Battista, T, Mocci, S.
Deposit date:2019-04-09
Release date:2020-05-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:Spiro-containing derivatives show antiparasitic activity against Trypanosoma brucei through inhibition of the trypanothione reductase enzyme.
Plos Negl Trop Dis, 14, 2020
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
Descriptor: 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Ilari, A, Fiorillo, A.
Deposit date:2017-10-17
Release date:2018-10-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Identification and binding mode of a novel Leishmania Trypanothione reductase inhibitor from high throughput screening.
Plos Negl Trop Dis, 12, 2018
6Y75
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BU of 6y75 by Molmil
BIL2 domain from T.thermophila BUBL1 locus (C1A-N143A)
Descriptor: DI(HYDROXYETHYL)ETHER, FORMIC ACID, NAD(P)(+)--arginine ADP-ribosyltransferase, ...
Authors:Ilari, A, Chiarini, V.
Deposit date:2020-02-28
Release date:2021-02-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of ubiquitination mediated by protein splicing in early Eukarya.
Biochim Biophys Acta Gen Subj, 1865, 2021
5M3U
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BU of 5m3u by Molmil
The X-ray structure of human V216F phosphoglycerate kinase 1 mutant
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ilari, A, Fiorillo, A, Cipollone, A, Petrosino, M.
Deposit date:2016-10-17
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.81 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
5M1R
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BU of 5m1r by Molmil
X-ray structure of human G166D PGK-1 mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoglycerate kinase 1
Authors:Ilari, A, Cipollone, A, Fiorillo, A, Petrosino, M.
Deposit date:2016-10-10
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.64 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
5M6Z
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BU of 5m6z by Molmil
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
5MXM
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BU of 5mxm by Molmil
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:2024-05-08
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
5O7D
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BU of 5o7d by Molmil
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
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
4K1F
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BU of 4k1f by Molmil
Crystal structure of reduced tryparedoxin peroxidase from leishmania major at 2.34 A resolution
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ilari, A, Fiorillo, A, Di Chiaro, F.
Deposit date:2013-04-05
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure-based discovery of the first non-covalent inhibitors of Leishmania major tryparedoxin peroxidase by high throughput docking
Sci Rep, 5, 2015
1O9R
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BU of 1o9r by Molmil
The X-ray crystal structure of Agrobacterium tumefaciens Dps, a member of the family that protect DNA without binding
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AGROBACTERIUM TUMEFACIENS DPS, ...
Authors:Ilari, A, Ceci, P, Chiancone, E.
Deposit date:2002-12-18
Release date:2003-05-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Dps Protein of Agrobacterium Tumefaciens Does not Bind to DNA But Protects It Toward Oxidative Cleavage: X-Ray Crystal Structure, Iron Binding, and Hydroxyl-Radical Scavenging Properties
J.Biol.Chem., 278, 2003
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
Descriptor: SORCIN, SULFATE ION
Authors:Ilari, A, Johnson, K.A, Nastopoulos, V, Tsernoglou, D, Chiancone, E.
Deposit date:2001-08-06
Release date:2002-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
1GVH
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BU of 1gvh by Molmil
The X-ray structure of ferric Escherichia coli flavohemoglobin reveals an unespected geometry of the distal heme pocket
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, FLAVOHEMOPROTEIN, ...
Authors:Ilari, A, Johnson, K.A, Bonamore, A, Farina, A, Boffi, A.
Deposit date:2002-02-13
Release date:2002-08-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The X-Ray Structure of Ferric Escherichia Coli Flavohemoglobin Reveals an Unexpected Geometry of the Distal Heme Pocket
J.Biol.Chem., 277, 2002
1UX8
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BU of 1ux8 by Molmil
X-ray structure of truncated oxygen-avid haemoglobin from Bacillus subtilis
Descriptor: CHLORIDE ION, CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Ilari, A, Giangiacomo, L, Boffi, A, Chiancone, E.
Deposit date:2004-02-20
Release date:2004-12-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Truncated Oxygen-Avid Hemoglobin from Bacillus Subtilis: X-Ray Structure and Ligand Binding Properties
J.Biol.Chem., 280, 2005
2VNE
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BU of 2vne by Molmil
The X-ray structure of Norcoclaurine synthase from Thalictrum flavum
Descriptor: S-NORCOCLAURINE SYNTHASE
Authors:Ilari, A, Franceschini, S, Boffi, A, Bonamore, A, Pasquo, A.
Deposit date:2008-02-04
Release date:2008-08-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural Basis of Enzymatic S-Norcoclaurine Biosynthesis.
J.Biol.Chem., 284, 2009
1QGH
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BU of 1qgh by Molmil
THE X-RAY STRUCTURE OF THE UNUSUAL DODECAMERIC FERRITIN FROM LISTERIA INNOCUA, REVEALS A NOVEL INTERSUBUNIT IRON BINDING SITE.
Descriptor: FE (III) ION, NON-HEME IRON-CONTAINING FERRITIN
Authors:Ilari, A, Stefanini, S, Chiancone, E, Tsernoglou, D.
Deposit date:1999-04-27
Release date:2000-01-14
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The dodecameric ferritin from Listeria innocua contains a novel intersubunit iron-binding site.
Nat.Struct.Biol., 7, 2000
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
2VQ5
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BU of 2vq5 by Molmil
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
2UZZ
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BU of 2uzz by Molmil
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
2BJY
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BU of 2bjy by Molmil
The X-ray crystal structure of Listeria innocua Dps H31G-H43G mutant.
Descriptor: NON-HEME IRON-CONTAINING FERRITIN
Authors:Ilari, A, Stefanini, S, Chiancone, E.
Deposit date:2005-02-08
Release date:2005-02-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Unusual Intersubunit Ferroxidase Center of Listeria Innocua Dps is Required for Hydrogen Peroxide Detoxification But not for Iron Uptake. A Study with Site-Specific Mutants
Biochemistry, 44, 2005
2BKC
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BU of 2bkc by Molmil
The X-ray structure of the H43G Listeria innocua Dps mutant
Descriptor: NON-HEME IRON-CONTAINING FERRITIN
Authors:Ilari, A, Stefanini, S, Chiancone, E.
Deposit date:2005-02-15
Release date:2005-02-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The unusual intersubunit ferroxidase center of Listeria innocua Dps is required for hydrogen peroxide detoxification but not for iron uptake. A study with site-specific mutants.
Biochemistry, 44, 2005
2BK6
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The X-ray crystal structure of the Listeria innocua H31G Dps mutant.
Descriptor: NON-HEME IRON-CONTAINING FERRITIN
Authors:Ilari, A, Latella, M.C, Ribacchi, F, Su, M, Giangiacomo, L, Stefanini, S, Chasteen, N.D, Chiancone, E.
Deposit date:2005-02-11
Release date:2005-02-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The unusual intersubunit ferroxidase center of Listeria innocua Dps is required for hydrogen peroxide detoxification but not for iron uptake. A study with site-specific mutants.
Biochemistry, 44, 2005

 

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