Research Topics
| Roberta PierattelliSummaryAffiliation: University of Florence Location: Sesto Fiorentino, Italy Publications
| Collaborators
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Detail Information
Publications
Nuclear magnetic resonance signal chemical shifts and molecular simulations: a multidisciplinary approach to modeling copper protein structuresJacopo Sgrignani
Magnetic Resonance Center CERM and Department of Chemistry Ugo Schiff, University of Florence, Via Luigi Sacconi 6, 50019, Sesto Fiorentino, Italy
J Biol Inorg Chem 17:71-9. 2012..The metal centers were modeled using molecular dynamics simulations with molecular mechanics potentials. The results obtained are evaluated and discussed...
Solid-state NMR spectroscopy of a paramagnetic protein: assignment and study of human dimeric oxidized CuII-ZnII superoxide dismutase (SOD)Guido Pintacuda
Laboratoire de Chimie, UMR 5182 CNRS-ENS Lyon, , , 69364 Lyon, France
Angew Chem Int Ed Engl 46:1079-82. 2007- Mapping protein-protein interaction by 13C'-detected heteronuclear NMR spectroscopyIvano Bertini
Department of Chemistry, University of Florence, 50019, Sesto Fiorentino, Italy
J Biomol NMR 36:111-22. 2006..It is here proposed that protonless (13)C direct-detection NMR is a useful complement to (1)H based NMR spectroscopy for monitoring protein-protein and protein-ligand interactions... - NMR in the SPINE Structural Proteomics projectE Ab
Bijvoet Center for Biomolecular Research, NMR Spectroscopy, Utrecht University, Padualaan 8, CH Utrecht, The Netherlands
Acta Crystallogr D Biol Crystallogr 62:1150-61. 2006..The inclusion of NMR spectroscopy in structural proteomics pipelines improves the success rate for protein structure determinations... - The molecular basis for the selection of captopril cis and trans conformations by angiotensin I converting enzymeAndreas G Tzakos
MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 2QH, UK
Bioorg Med Chem Lett 16:5084-7. 2006.... - The Atx1-Ccc2 complex is a metal-mediated protein-protein interactionLucia Banci
Magnetic Resonance Center CERM, University of Florence, Via L Sacconi 6, 50019 Sesto Fiorentino, Italy
Nat Chem Biol 2:367-8. 2006..Copper was required for the interaction. This study provides an understanding of metal-mediated protein-protein interactions in which the metal ion is essential for the weak, reversible interaction between the partners... - Protonless NMR experiments for sequence-specific assignment of backbone nuclei in unfolded proteinsWolfgang Bermel
Bruker BioSpin GmbH, Rheinstetten, Germany
J Am Chem Soc 128:3918-9. 2006..We designed a novel strategy based on two protonless experiments, a CBCACON-IPAP and a novel COCON-IPAP, that permits a straightforward and unequivocal backbone heteronuclear assignment of the natively unfolded protein alpha-synuclein... - Backbone and side-chains 1H, 13C and 15N NMR assignment of human beta-parvalbuminElena Babini
J Biomol NMR 33:137. 2005 - Reduction thermodynamics of the T1 Cu site in plant and fungal laccasesGianantonio Battistuzzi
Department of Chemistry Centro SCS, University of Modena and Reggio Emilia, Via Campi 183, 41100, Modena, Italy
J Biol Inorg Chem 10:867-73. 2005..This conclusion is supported by NMR data recorded on the native, the T2D, and Hg-substituted T1 derivatives of R. vernicifera laccase, which show that the T1 and T2/T3 sites are largely noninteracting... - Novel 13C direct detection experiments, including extension to the third dimension, to perform the complete assignment of proteinsWolfgang Bermel
Bruker BioSpin GmbH, Rheinstetten, Germany
J Magn Reson 178:56-64. 2006..This strategy offers alternative solutions for demanding situations (paramagnetic and/or large molecules) and can be useful in general in conjunction with conventional experiments... - NMR spectroscopy of paramagnetic metalloproteinsIvano Bertini
Magnetic Resonance Center, University of Florence, Via Luigi Sacconi 6, 50019 Sesto Fiorentino, Italy
Chembiochem 6:1536-49. 2005..Finally, a section is dedicated to the significant progress made on 13C direct detection, which reduces the negative effects of paramagnetism and may constitute a new chapter in the whole field of NMR spectroscopy... - Complete assignment of heteronuclear protein resonances by protonless NMR spectroscopyWolfgang Bermel
Bruker BioSpin GmbH, Rheinstetten, Germany
Angew Chem Int Ed Engl 44:3089-92. 2005 - (13)C-(13)C NOESY: a constructive use of (13)C-(13)C spin-diffusionIvano Bertini
Magnetic Resonance Center and Department of Chemistry, University of Florence, Italy
J Biomol NMR 30:245-51. 2004..The interpretation was confirmed by simulations. This approach broadens the range of applicability of (13)C-(13)C NOESY spectroscopy... - A selective experiment for the sequential protein backbone assignment from 3D heteronuclear spectraWolfgang Bermel
Bruker BioSpin GmbH, Rheinstetten, Germany
J Magn Reson 172:324-8. 2005..In addition, one of the two variants benefits from an improved sensitivity. Both sequences are a useful complement to the CANCO sequence for facile sequence-specific protein assignment by protonless NMR... - High-resolution NMR studies of the zinc-binding site of the Alzheimer's amyloid beta-peptideJens Danielsson
Department of Biochemistry and Biophysics, Stockholm University, Sweden
FEBS J 274:46-59. 2007..At low metal ion concentrations, on the other hand, the metal-induced structure of the peptide counteracts aggregation... - Towards a protocol for solution structure determination of copper(II) proteins: the case of Cu(II)Zn(II) superoxide dismutaseIvano Bertini
CERM and Department of Chemistry, University of Florence, Via L Sacconi 6, 50019 Sesto Fiorentino, Italy
Chembiochem 8:1422-9. 2007..1H NOEs and 1H and 13C R1 data are sufficient to produce a good/reasonable solution structure, as demonstrated for a monomeric species of superoxide dismutase, a 153-residue protein... - 13C direct-detection biomolecular NMR spectroscopy in living cellsIvano Bertini
CERM and Department of Chemistry Ugo Schiff, University of Florence, Via Luigi Sacconi 6, 50019 Sesto Fiorentino, Florence, Italy
Angew Chem Int Ed Engl 50:2339-41. 2011 - Conformational space of flexible biological macromolecules from average dataIvano Bertini
CERM, University of Florence, Via L Sacconi 6, 50019 Sesto Fiorentino, Italy
J Am Chem Soc 132:13553-8. 2010..The computer program is publicly available using the grid computing infrastructure through the authors' Web portal... - Exclusively heteronuclear NMR experiments to obtain structural and dynamic information on proteinsWolfgang Bermel
Bruker BioSpin GmbH, Silberstreifen, 76287 Rheinstetten, Germany
Chemphyschem 11:689-95. 2010..This new set of experiments is a further development of a whole strategy based on (13)C direct-detection NMR spectroscopy for the study of biological macromolecules... - Speeding up (13)C direct detection biomolecular NMR spectroscopyWolfgang Bermel
Bruker BioSpin GmbH, Silberstreifen, 76287 Rheinstetten, Germany
J Am Chem Soc 131:15339-45. 2009..As overall experimental time has always been a counter indication for the use of (13)C direct detection experiments, this research opens new avenues for the application of (13)C NMR to biological molecules... - Transverse-dephasing optimized homonuclear j-decoupling in solid-state NMR spectroscopy of uniformly 13C-labeled proteinsSégolène Laage
Universite de Lyon, CNRS ENS Lyon UCB Lyon 1, Centre RMN a Tres Hauts Champs, 5 rue de la Doua, 69100 Villeurbanne, France
J Am Chem Soc 131:10816-7. 2009..This method allows the resolution of 145 signals in the highly crowded carbonyl region in the NCO correlation spectrum... - H-start for exclusively heteronuclear NMR spectroscopy: the case of intrinsically disordered proteinsWolfgang Bermel
Bruker BioSpin GmbH, Silberstreifen, 76287 Rheinstetten, Germany
J Magn Reson 198:275-81. 2009..This contributes to make this spectroscopy more useful and usable. Examples are reported for a suitable system such as securin, an intrinsically disordered protein of 22 kDa... - Relaxation-optimised Hartmann-Hahn transfer using a specifically Tailored MOCCA-XY16 mixing sequence for carbonyl-carbonyl correlation spectroscopy in 13C direct detection NMR experimentsIsabella C Felli
Department of Chemistry and Magnetic Resonance Center, University of Florence, Via Luigi Sacconi 6, 50019, Sesto Fiorentino, Florence, Italy
J Biomol NMR 43:187-96. 2009..We show here that its adapted version is particularly suited for carbonyl-carbonyl correlations in (13)C direct detection NMR experiments... 
Electronic structure of the ground and excited states of the Cu(A) site by NMR spectroscopyLuciano A Abriata
IBR Instituto de Biologia Molecular y Celular de Rosario, Consejo Nacional de Investigaciones Cientificas y Tecnicas CONICET, Facultad de Ciencias Bioquimicas y Farmaceuticas, Universidad Nacional de Rosario, Suipacha 531, Argentina
J Am Chem Soc 131:1939-46. 2009..These results provide a detailed description of the electronic structure of the Cu(A) site at atomic resolution in solution at physiologically relevant temperature...- Band-selective 1H-13C cross-polarization in fast magic angle spinning solid-state NMR spectroscopySégolène Laage
Universite de Lyon, CNRS ENS Lyon UCB Lyon 1, Centre RMN a Tres Hauts Champs, 5 rue de la Doua, 69100 Villeurbanne, France
J Am Chem Soc 130:17216-7. 2008..This scheme can be used as a building block in 2D (13)C-(13)C homonuclear correlation experiments to obtain a faster and more sensitive characterization of biological solids... - Fast acquisition of multi-dimensional spectra in solid-state NMR enabled by ultra-fast MASSégolène Laage
Universite de Lyon, CNRS ENS Lyon UCB Lyon 1, Centre RMN a Tres Hauts Champs, 5 rue de la Doua, 69100 Villeurbanne, France
J Magn Reson 196:133-41. 2009..3 mm rotor. The result is that 2D (13)C-(13)C correlation could be acquired in about 24 h on less than 1 mg of SOD sample... - Perspectives in paramagnetic NMR of metalloproteinsIvano Bertini
Magnetic Resonance Center, University of Florence, Via L Sacconi 6, 50019, Sesto Fiorentino, FI, Italy
Dalton Trans . 2008.... - Protonless 13C direct detection NMR: characterization of the 37 kDa trimeric protein CutA1Ivano Bertini
Magnetic Resonance Center, University of Florence, Sesto Fiorentino, Italy
Proteins 70:1196-205. 2008..The structural and dynamical knowledge obtained for this system may contribute to understand its biological role... - A method for C(alpha) direct-detection in protonless NMRWolfgang Bermel
Bruker BioSpin GmbH, Rheinstetten, Germany
J Magn Reson 188:301-10. 2007..Such attempts are based on the S(3)E spin-state selection method. A newly developed double S(3)E (DS(3)E) is particularly efficient for C(alpha) detection for proteins as large as 480 kDa... - Synthesis, characterization, and cytotoxic activity of copper(II) and platinum(II) complexes of 2-benzoylpyrrole and X-ray structure of bis[2-benzoylpyrrolato(N,O)]copper(II)S Rubino
Dipartimento di Chimica Inorganica, , Viale delle Scienze, Parco d'Orleans, 90128 Palermo, Italy
J Inorg Biochem 98:2071-9. 2004..While the Pt(II) complexes may have damaged DNA to induce cell death, treatment with the Cu(II) complex did not induce Jurkat cell death... - Enzyme-catalyzed mechanism of isoniazid activation in class I and class III peroxidasesRoberta Pierattelli
Dipartimento di Chimica e Centro Risonanze Magnetiche, , Polo Scientifico, Via Luigi Sacconi 6, 50019 Sesto Fiorentino (Florence, Italy
J Biol Chem 279:39000-9. 2004..tuberculosis catalase-peroxidase but also establishes a new conceptual framework for testing hypotheses regarding the enzyme-catalyzed turnover of this compound in a number of heme peroxidases... - 13C-13C NOESY: an attractive alternative for studying large macromoleculesIvano Bertini
CERM and Department of Chemistry, University of Florence, Via Luigi Sacconi 6, 50019 Sesto Fiorentino, Florence, Italy
J Am Chem Soc 126:464-5. 2004.... - Spectroscopic characterization of a newly isolated cytochrome P450 from Rhodococcus rhodochrousL Banci
Department of Chemistry, University of Florence, Firenze, Italy
Biophys J 65:806-13. 1993.... - Strategies of signal assignments in paramagnetic metalloproteins. An NMR investigation of the thiocyanate adduct of the cobalt (II)-substituted human carbonic anhydrase III Bertini
Department of Chemistry, University of Florence, Italy
J Magn Reson B 104:230-9. 1994..More than 35 signals of protons around cobalt (II) have been assigned... - The three-dimensional structure in solution of the paramagnetic high-potential iron-sulfur protein I from Ectothiorhodospira halophila through nuclear magnetic resonanceL Banci
Department of Chemistry, University of Florence, Italy
Eur J Biochem 225:715-25. 1994..We do not know of any previous determination of the structure of a paramagnetic protein in solution by NMR. The effect of paramagnetism on the quality of the structure determination is discussed... - Determination of haem electronic structure in cytochrome b5 and metcyanomyoglobinL Banci
Department of Chemistry, University of Florence, Italy
Eur J Biochem 232:522-7. 1995.... - [Mucocutaneous lymph node syndrome]I Giani
Pediatr Med Chir 4:297-302. 1982..Echocardiography may be useful in doing that. A survey of recent literature indicates that salicylate therapy may be useful not only for symptoms relief but also in preventing life threatening of coronary artery vasculitis... - [Our experience with antibiotic therapy in children hospitalized between 1979 and 1981]G Bartolozzi
Pediatr Med Chir 5:171-8. 1983.... - [A case of systemic sclerosis in childhood complicated by severe digital ulcers]F Falcini
Pediatr Med Chir 6:703-7. 1984..In the course of illness he presented severe digital ulcerations in the hands and in the feet, responsive to a calcium channel blocking agent nifedipine treatment... - [Osteodystrophy in children with chronic renal insufficiency in dialysis therapy]G Bartolozzi
Pediatr Med Chir 4:65-9. 1982..On the contrary dialysate has to be lacking in phosphorus to correct hyperphosphoraemia. It must be noted that we have to prepare a dialysate with deionized water lacking in aluminum to avoid encephalopathy compliance... - [Articular manifestations of 11 cases of Kawasaki syndrome observed in Toscana]G Bartolozzi
Rev Rhum Mal Osteoartic 52:157-60. 1985..Our study of 9 patients yielded no conclusive results concerning the role of genetic factors. Only a study involving a much greater number of patients could establish whether genetics plays a major role in the development of the disease... - Case report 401: Idiopathic carpal/tarsal osteolysis (ICTO) associated with nephropathyG F Vichi
Skeletal Radiol 15:665-71. 1986 - [Mixed connective tissue disease in childhood. Report of a case]F Falcini
Dipartimento di Pediatria, Universita degli Studi di Firenze, Italia
Pediatr Med Chir 10:223-5. 1988..These data are characteristic of MCTD. The occurrence of this disease in children is extremely rare and the prognosis is related to a possible renal and/or haemopoietic involvement... - [Sensitivity and specificity of antigliadine antibodies in the diagnosis of celiac disease in a population of children in Toscana]P Rosselli
Dipartimento di Pediatria, Universita di Firenze, Italia
Pediatr Med Chir 11:301-5. 1989..On gluten free diet the titres of AGA IgA returned to normal value in three months, while the AGA IgG showed a slower decrease... - 1H nuclear magnetic resonance investigation of cobalt(II) substituted carbonic anhydraseL Banci
Department of Chemistry, University of Florence, Italy
Biophys J 63:530-43. 1992..With this information at hand, comparisons within homologous series of adducts with various inhibitors and/or mutants of the same enzyme of known structure should be possible using limited sets of NMR data... - 1H-NMR study of reduced heme proteins myoglobin and cytochrome P450L Banci
Department of Chemistry, University of Florence, Italy
Eur J Biochem 215:431-7. 1993..Therefore, the spectral information is poor. The electron-relaxation rates are discussed in terms of possible electronic structure... - Analysis of the paramagnetic shifts of haem carbon resonances in bovine ferricytochrome b5R Pierattelli
Department of Chemistry, University of Southampton, Highfield, United Kingdom
Eur Biophys J 24:342-7. 1996..The 13C chemical shifts of two haem methyl groups in the minor form of the protein, in which the haem is approximately rotated by 180 degrees about its 5CH-15CH axis, are also evaluated... - 13C direct detection experiments on the paramagnetic oxidized monomeric copper, zinc superoxide dismutaseWolfgang Bermel
Bruker BioSpin GmbH, Rheinstetten, Germany
J Am Chem Soc 125:16423-9. 2003..The present study is significant also for the study of large diamagnetic proteins for which proton relaxation makes proton-based spectroscopy not adequate... - NMR study of manganese(II) binding by a new versatile peroxidase from the white-rot fungus Pleurotus eryngiiLucia Banci
Department of Chemistry and Magnetic Resonance Center, University of Florence, Via Luigi Sacconi 6, 50019, Sesto Fiorentino Florence, Italy
J Biol Inorg Chem 8:751-60. 2003..Furthermore, comparison with the data collected on a mutant in the putative Mn(II) binding site, and an analysis of the enzyme kinetic properties, shed light on the factors affecting the function of this novel peroxidase... - Zinc binding in peptide models of angiotensin-I converting enzyme active sites studied through 1H-NMR and chemical shift perturbation mappingAthanassios S Galanis
Department of Pharmacy, University of Patras, GR-26500, Patras, Greece
Biopolymers 69:244-52. 2003..The obtained data were analyzed in terms of chemical shift differences. The results indicate that zinc binds to the HEMGH and the EAIGD characteristic motifs, and suggest possible coordination modes of zinc in the native enzyme... - Metal-ligand interplay in blue copper proteins studied by 1H NMR spectroscopy: Cu(II)-pseudoazurin and Cu(II)-rusticyaninAntonio Donaire
, University of Rosario, Suipacha 531, S2002LRK Rosario, Argentina
J Am Chem Soc 124:13698-708. 2002..Finally, the observed chemical shifts for beta-CH(2) Cys and Ser NH protons in rusticyanin suggest that a less negative charge at the sulfur atom could contribute to the high redox potential (680 mV) of this protein... - Nuclear magnetic resonance spectroscopy studies on copper proteinsLucia Banci
CERM, University of Florence, 50019 Sesto Fiorentino, Italy
Adv Protein Chem 60:397-449. 2002 - An NMR method for studying the kinetics of metal exchange in biomolecular systemsRenato Barbieri
Department of Chemistry and Magnetic Resonance Center, University of Florence, Italy
J Biomol NMR 23:303-9. 2002..Interestingly, the dissociative mechanism involving the apo form of the protein, which is generally assumed for metal ion exchange at protein binding sites, was not in agreement with our data... - Characterization and peroxidase activity of a myoglobin mutant containing a distal arginineCristina Redaelli
Dipartimento di Chimica Generale, , Via Taramelli 12, 27100 Pavia, Italy
Chembiochem 3:226-33. 2002.... - Development of NMR instrumentation to achieve excitation of large bandwidths in high-resolution spectra at high fieldC Luchinat
Magnetic Resonance Center, University of Florence, I 50019 Sesto Fiorentino, Florence, Italy
J Magn Reson 150:161-6. 2001.... - Adduct of acetylene at sulfur in an oxygen- and sulfur-bridged open cubane cluster complex of tungstenM Maeyama
Department of Chemistry, Okayama University of Science, Ridai cho, Okayama 700 0005, Japan
Inorg Chem 40:2111-9. 2001..42 ppm with the signals at 4.84 and 4.89 ppm. The mechanism of the formation of 8 is suggested to proceed through an intermediate with acetylene bridging two of the sulfur atoms... - Isolation and physico-chemical characterization of a cytochrome c from the methylotrophic yeast Hansenula polymorphaM Borsari
Department of Chemistry, University of Modena, Via Campi 183, 41100 Modena, Italy
Biochim Biophys Acta 1543:174-88. 2000..The electrochemically derived thermodynamic parameters for neutral and alkaline protein species (DeltaS degrees (rc) and DeltaH degrees (rc)) were obtained from the temperature dependence of the redox potential... - Multinuclear (13C, 17O, 57Fe) NMR studies of carbonmonoxy heme proteins and synthetic model compoundsC G Kalodimos
Department of Chemistry, University of Ioannina, Greece
J Inorg Biochem 79:371-80. 2000.... - The interaction of the nitrate anion with cytochrome c peroxidase: a 15N-NMR studyL Banci
Spectrochim Acta A Mol Biomol Spectrosc 55:415-20. 1999.... - The solution structure refinement of the paramagnetic reduced high-potential iron-sulfur protein I from Ectothiorhodospira halophila by using stable isotope labeling and nuclear relaxationI Bertini
Department of Chemistry, University of Florence, Italy
Eur J Biochem 241:440-52. 1996.... - The interaction of acetate and formate with cobalt carbonic anhydrase. An NMR studyI Bertini
Department of Chemistry, University of Florence, Italy
Eur J Biochem 208:607-15. 1992..1992) unpublished results] and, in particular, of the proposed long Zn-O distance found in the recent X-ray results on the formate adduct [Hakanson, K., Carlsson, M., Svensson, A. & Liljas, A. (1992) J. Mol. Biol., in the press]...