Author results

4GZB
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CRYSTAL STRUCTURE OF NATIVE AMPC BETA-LACTAMASE FROM PSEUDOMONAS AERUGINOSA PAO1
Descriptor:Beta-lactamase, 1,2-ETHANEDIOL
Authors:Benvenuti, M., De Luca, F., Docquier, J.D., Mangani, S.
Deposit date:2012-09-06
Release date:2013-04-10
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural insight into potent broad-spectrum inhibition with reversible recyclization mechanism: avibactam in complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-lactamases
Antimicrob.Agents Chemother., 57, 2013
2G1A
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN APHA CLASS B ACID PHOSPHATASE/PHOSPHOTRANSFERASE
Descriptor:Class B acid phosphatase, MAGNESIUM ION, {[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID
Authors:Leone, R., Calderone, V., Cappelletti, E., Benvenuti, M., Mangani, S.
Deposit date:2006-02-14
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase
To be published
1OSC
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CRYSTAL STRUCTURE OF RAT CUTA1 AT 2.15 A RESOLUTION
Descriptor:similar to divalent cation tolerant protein CUTA
Authors:Arnesano, F., Banci, L., Benvenuti, M., Bertini, I., Calderone, V., Mangani, S., Viezzoli, M.S., Structural Proteomics in Europe (SPINE)
Deposit date:2003-03-19
Release date:2003-11-25
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Evolutionarily Conserved Trimeric Structure of CutA1 Proteins Suggests a Role in Signal Transduction
J.Biol.Chem., 278, 2003
1RMQ
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CRYSTAL STRUCTURE OF APHA CLASS B ACID PHOSPHATASE/PHOSPHOTRANSFERASE WITH OSMIATE MIMICKING THE CATALYTIC INTERMEDIATE
Descriptor:Class B acid phosphatase, COBALT (II) ION, OSMIUM ION
Authors:Calderone, V., Forleo, C., Benvenuti, M., Rossolini, G.M., Thaller, M.C., Mangani, S.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
1RMT
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CRYSTAL STRUCTURE OF APHA CLASS B ACID PHOSPHATASE/PHOSPHOTRANSFERASE COMPLEXED WITH ADENOSINE.
Descriptor:Class B acid phosphatase, MAGNESIUM ION, ADENOSINE
Authors:Calderone, V., Forleo, C., Benvenuti, M., Rossolini, G.M., Thaller, M.C., Mangani, S.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
1RMY
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CRYSTAL STRUCTURE OF APHA CLASS B ACID PHOSPHATASE/PHOSPHOTRANSFERASE TERNARY COMPLEX WITH DEOXYCYTOSINE AND PHOSPHATE BOUND TO THE CATALYTIC METAL
Descriptor:Class B acid phosphatase, MAGNESIUM ION, 2'-DEOXYCYTIDINE, ...
Authors:Calderone, V., Forleo, C., Benvenuti, M., Rossolini, G.M., Thaller, M.C., Mangani, S.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights in the catalytic mechanism of AphA from Escherichia coli
To be Published
2B82
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CRYSTAL STRUCTURE OF APHA CLASS B ACID PHOSPHATASE/PHOSPHOTRANSFERASE TERNARY COMPLEX WITH ADENOSINE AND PHOSPHATE BOUND TO THE CATALYTIC METAL AT 1.2 A RESOLUTION
Descriptor:class B acid phosphatase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Calderone, V., Forleo, C., Benvenuti, M., Thaller, M.C., Rossolini, G.M., Mangani, S.
Deposit date:2005-10-06
Release date:2005-11-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A structure-based proposal for the catalytic mechanism of the bacterial acid phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases
J.Mol.Biol., 355, 2006
2B8J
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CRYSTAL STRUCTURE OF APHA CLASS B ACID PHOSPHATASE/PHOSPHOTRANSFERASE TERNARY COMPLEX WITH ADENOSINE AND PHOSPHATE AT 2 A RESOLUTION
Descriptor:class B acid phosphatase, MAGNESIUM ION, SPERMINE, ...
Authors:Calderone, V., Forleo, C., Benvenuti, M., Thaller, M.C., Rossolini, G.M., Mangani, S.
Deposit date:2005-10-07
Release date:2005-11-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:A structure-based proposal for the catalytic mechanism of the bacterial acid phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases
J.Mol.Biol., 355, 2006
3CZ4
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NATIVE APHA CLASS B ACID PHOSPHATASE/PHOSPHOTRANSFERASE FROM E. COLI
Descriptor:Class B acid phosphatase, MAGNESIUM ION, ACETATE ION, ...
Authors:Leone, R., Cappelletti, E., Benvenuti, M., Lentini, G., Thaller, M.C., Mangani, S.
Deposit date:2008-04-28
Release date:2008-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the catalytic mechanism of the bacterial class B phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases.
J.Mol.Biol., 384, 2008
3LVZ
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NEW REFINEMENT OF THE CRYSTAL STRUCTURE OF BJP-1, A SUBCLASS B3 METALLO-BETA-LACTAMASE OF BRADYRHIZOBIUM JAPONICUM
Descriptor:Blr6230 protein, ZINC ION
Authors:Docquier, J.D., Benvenuti, M., Calderone, V., Stoczko, M., Rossolini, G.M., Mangani, S.
Deposit date:2010-02-23
Release date:2011-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides.
Antimicrob.Agents Chemother., 54, 2010
5MXQ
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CRYSTAL STRUCTURE OF THE ACQUIRED VIM-2 METALLO-BETA-LACTAMASE IN COMPLEX WITH ANT-90 INHIBITOR
Descriptor:Beta-lactamase VIM-2, ZINC ION, 3-(phenylsulfonylamino)pyridine-2-carboxylic acid, ...
Authors:Docquier, J.D., De Luca, F., Benvenuti, M., Di Pisa, F., Pozzi, C., Mangani, S.
Deposit date:2017-01-24
Release date:2018-02-28
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:SAR studies leading to the identification of a novel series of metallo-beta-lactamase inhibitors for the treatment of carbapenem-resistant Enterobacteriaceae infections that display efficacy in an animal infection model.
ACS Infect Dis, 2018
5MXR
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CRYSTAL STRUCTURE OF THE ACQUIRED VIM-2 METALLO-BETA-LACTAMASE IN COMPLEX WITH ANT-330 INHIBITOR
Descriptor:Beta-lactamase VIM-2, ZINC ION, ACETATE ION, ...
Authors:Docquier, J.D., De Luca, F., Benvenuti, M., Di Pisa, F., Pozzi, C., Mangani, S.
Deposit date:2017-01-24
Release date:2018-03-14
Last modified:2018-12-05
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:SAR studies leading to the identification of a novel series of metallo-beta-lactamase inhibitors for the treatment of carbapenem-resistant Enterobacteriaceae infections that display efficacy in an animal infection model.
ACS Infect Dis, 2018
5WCM
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CLASS B3 BETA-LACTAMASE BJP-1 AND 4-NITROBENZENE-SULFONAMIDE - NEW REFINEMENT
Descriptor:Blr6230 protein, ZINC ION, 4-nitrobenzenesulfonamide
Authors:Docquier, J.D., Benvenuti, M., Calderone, V., Menciassi, N., Shabalin, I.G., Raczynska, J.E., Wlodawer, A., Jaskolski, M., Minor, W., Mangani, S.
Deposit date:2017-06-30
Release date:2017-07-19
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides.
Antimicrob. Agents Chemother., 54, 2010
6HF5
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CRYSTAL STRUCTURE OF THE ACQUIRED VIM-2 METALLO-BETA-LACTAMASE IN COMPLEX WITH ANT-431 INHIBITOR
Descriptor:Beta-lactamase class B VIM-2, ZINC ION, ACETATE ION, ...
Authors:Docquier, J.D., Pozzi, C., De Luca, F., Benvenuti, M., Mangani, S.
Deposit date:2018-08-21
Release date:2018-12-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SAR studies leading to the identification of a novel series of metallo-beta-lactamase inhibitors for the treatment of carbapenem-resistant Enterobacteriaceae infections that display efficacy in an animal infection model.
ACS Infect Dis, 2018
1XTL
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CRYSTAL STRUCTURE OF P104H MUTANT OF SOD-LIKE PROTEIN FROM BACILLUS SUBTILIS.
Descriptor:Hypothetical superoxide dismutase-like protein yojM, COPPER (II) ION, ZINC ION
Authors:Calderone, V., Mangani, S., Banci, L., Benvenuti, M., Bertini, I., Viezzoli, M.S., Fantoni, A.
Deposit date:2004-10-22
Release date:2005-10-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:From an Inactive Prokaryotic SOD Homologue to an Active Protein through Site-Directed Mutagenesis.
J.Am.Chem.Soc., 127, 2005
1XTM
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CRYSTAL STRUCTURE OF THE DOUBLE MUTANT Y88H-P104H OF A SOD-LIKE PROTEIN FROM BACILLUS SUBTILIS.
Descriptor:Hypothetical superoxide dismutase-like protein yojM, COPPER (II) ION, ZINC ION
Authors:Calderone, V., Mangani, S., Banci, L., Benvenuti, M., Bertini, I., Fantoni, A., Viezzoli, M.S.
Deposit date:2004-10-22
Release date:2005-10-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:From an Inactive Prokaryotic SOD Homologue to an Active Protein through Site-Directed Mutagenesis.
J.Am.Chem.Soc., 127, 2005
3HBR
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CRYSTAL STRUCTURE OF OXA-48 BETA-LACTAMASE
Descriptor:OXA-48, 1,2-ETHANEDIOL
Authors:Calderone, V., Mangani, S., Benvenuti, M., Rossolini, G.M., Docquier, J.D.
Deposit date:2009-05-05
Release date:2009-06-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases.
Chem.Biol., 16, 2009
4YU9
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CRYSTAL STRUCTURE OF DOUBLE MUTANT Y115E Y117E HUMAN GLUTAMINYL CYCLASE
Descriptor:Glutaminyl-peptide cyclotransferase, ZINC ION, SULFATE ION, ...
Authors:Di Pisa, F., Pozzi, C., Benvenuti, M., Mangani, S.
Deposit date:2015-03-18
Release date:2015-08-05
Last modified:2015-08-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The soluble Y115E-Y117E variant of human glutaminyl cyclase is a valid target for X-ray and NMR screening of inhibitors against Alzheimer disease.
Acta Crystallogr.,Sect.F, 71, 2015
4YWY
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CRYSTAL STRUCTURE OF DOUBLE MUTANT Y115E Y117E HUMAN GLUTAMINYL CYCLASE IN COMPLEX WITH INHIBITOR PBD-150
Descriptor:Glutaminyl-peptide cyclotransferase, ZINC ION, 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, ...
Authors:Di Pisa, F., Pozzi, C., Benvenuti, M., Mangani, S.
Deposit date:2015-03-21
Release date:2015-08-05
Last modified:2015-08-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The soluble Y115E-Y117E variant of human glutaminyl cyclase is a valid target for X-ray and NMR screening of inhibitors against Alzheimer disease.
Acta Crystallogr.,Sect.F, 71, 2015
1N8N
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CRYSTAL STRUCTURE OF THE AU3+ COMPLEX OF APHA CLASS B ACID PHOSPHATASE/PHOSPHOTRANSFERASE FROM E. COLI AT 1.69 A RESOLUTION
Descriptor:Class B acid phosphatase, GOLD 3+ ION
Authors:Calderone, V., Forleo, C., Benvenuti, M., Rossolini, G.M., Thaller, M.C., Mangani, S.
Deposit date:2002-11-21
Release date:2004-02-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold.
J.Mol.Biol., 335, 2004
1N9K
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CRYSTAL STRUCTURE OF THE BROMIDE ADDUCT OF APHA CLASS B ACID PHOSPHATASE/PHOSPHOTRANSFERASE FROM E. COLI AT 2.2 A RESOLUTION
Descriptor:Class B acid phosphatase, MAGNESIUM ION, BROMIDE ION
Authors:Calderone, V., Forleo, C., Benvenuti, M., Rossolini, G.M., Thaller, M.C., Mangani, S.
Deposit date:2002-11-25
Release date:2004-02-03
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold.
J.Mol.Biol., 335, 2004
1NAQ
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CRYSTAL STRUCTURE OF CUTA1 FROM E.COLI AT 1.7 A RESOLUTION
Descriptor:Periplasmic divalent cation tolerance protein cutA, MERCURY (II) ION, MERCURIBENZOIC ACID
Authors:Calderone, V., Mangani, S., Benvenuti, M., Viezzoli, M.S., Banci, L., Bertini, I., Structural Proteomics in Europe (SPINE)
Deposit date:2002-11-28
Release date:2003-11-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The evolutionarily conserved trimeric structure of CutA1 proteins suggests a role in signal transduction.
J.Biol.Chem., 278, 2003
2HEG
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PHOSPHO-ASPARTYL INTERMEDIATE ANALOGUE OF APHA CLASS B ACID PHOSPHATASE/PHOSPHOTRANSFERASE
Descriptor:Class B acid phosphatase, MAGNESIUM ION
Authors:Leone, R., Calderone, V., Cappelletti, E., Benvenuti, M., Mangani, S.
Deposit date:2006-06-21
Release date:2008-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:

2HF7
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TRANSITION STATE ANALOGUE OF APHA CLASS B ACID PHOSPHATASE/PHOSPHOTRANSFERASE (ALUMINIUM FLUORIDE COMPLEX)
Descriptor:Class B acid phosphatase, MAGNESIUM ION, ALUMINUM FLUORIDE
Authors:Leone, R., Calderone, V., Cappelletti, E., Benvenuti, M., Mangani, S.
Deposit date:2006-06-23
Release date:2008-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:

3IF6
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CRYSTAL STRUCTURE OF OXA-46 BETA-LACTAMASE FROM P. AERUGINOSA
Descriptor:OXA-46 oxacillinase, L(+)-TARTARIC ACID, 1,2-ETHANEDIOL, ...
Authors:Docquier, J.D., Benvenuti, M., Calderone, V., Giuliani, F., Kapetis, D., De Luca, F., Rossolini, G.M., Mangani, S.
Deposit date:2009-07-24
Release date:2010-03-16
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the narrow-spectrum OXA-46 class D beta-lactamase: relationship between active-site lysine carbamylation and inhibition by polycarboxylates
Antimicrob.Agents Chemother., 54, 2010
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