Roberta Pierattelli


Affiliation: University of Florence
Location: Sesto Fiorentino, Italy


  1. request reprint
    Pierattelli R, Banci L, Eady N, Bodiguel J, Jones J, Moody P, et al. Enzyme-catalyzed mechanism of isoniazid activation in class I and class III peroxidases. J Biol Chem. 2004;279:39000-9 pubmed
    ..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. ..
  2. Bermel W, Bertini I, Felli I, Pierattelli R. Speeding up (13)C direct detection biomolecular NMR spectroscopy. J Am Chem Soc. 2009;131:15339-45 pubmed publisher
    ..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. ..
  3. request reprint
    Bertini I, Felli I, Luchinat C, Parigi G, Pierattelli R. Towards a protocol for solution structure determination of copper(II) proteins: the case of Cu(II)Zn(II) superoxide dismutase. Chembiochem. 2007;8:1422-9 pubmed
    ..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. ..
  4. request reprint
    Bermel W, Bertini I, Felli I, Lee Y, Luchinat C, Pierattelli R. Protonless NMR experiments for sequence-specific assignment of backbone nuclei in unfolded proteins. J Am Chem Soc. 2006;128:3918-9 pubmed
    ..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. ..
  5. request reprint
    Banci L, Pierattelli R, Vila A. Nuclear magnetic resonance spectroscopy studies on copper proteins. Adv Protein Chem. 2002;60:397-449 pubmed
  6. request reprint
    Bermel W, Bertini I, Duma L, Felli I, Emsley L, Pierattelli R, et al. Complete assignment of heteronuclear protein resonances by protonless NMR spectroscopy. Angew Chem Int Ed Engl. 2005;44:3089-92 pubmed
  7. Banci L, Bertini I, Eltis L, Pierattelli R. Spectroscopic characterization of a newly isolated cytochrome P450 from Rhodococcus rhodochrous. Biophys J. 1993;65:806-13 pubmed
  8. request reprint
    Banci L, Bertini I, Marconi S, Pierattelli R. 1H-NMR study of reduced heme proteins myoglobin and cytochrome P450. Eur J Biochem. 1993;215:431-7 pubmed
    ..Therefore, the spectral information is poor. The electron-relaxation rates are discussed in terms of possible electronic structure. ..
  9. request reprint
    Bermel W, Bertini I, Felli I, Kümmerle R, Pierattelli R. Novel 13C direct detection experiments, including extension to the third dimension, to perform the complete assignment of proteins. J Magn Reson. 2006;178:56-64 pubmed
    ..This strategy offers alternative solutions for demanding situations (paramagnetic and/or large molecules) and can be useful in general in conjunction with conventional experiments. ..

More Information


  1. request reprint
    Bermel W, Bertini I, Felli I, Kümmerle R, Pierattelli R. 13C direct detection experiments on the paramagnetic oxidized monomeric copper, zinc superoxide dismutase. J Am Chem Soc. 2003;125:16423-9 pubmed
    ..The present study is significant also for the study of large diamagnetic proteins for which proton relaxation makes proton-based spectroscopy not adequate. ..
  2. request reprint
    Galanis A, Spyroulias G, Pierattelli R, Tzakos A, Troganis A, Gerothanassis I, et al. Zinc binding in peptide models of angiotensin-I converting enzyme active sites studied through 1H-NMR and chemical shift perturbation mapping. Biopolymers. 2003;69:244-52 pubmed
    ..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. ..
  3. request reprint
    Rubino S, Petruso S, Pierattelli R, Bruno G, Stocco G, Steardo L, et al. 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). J Inorg Biochem. 2004;98:2071-9 pubmed
    ..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. ..
  4. request reprint
    Redaelli C, Monzani E, Santagostini L, Casella L, Sanangelantoni A, Pierattelli R, et al. Characterization and peroxidase activity of a myoglobin mutant containing a distal arginine. Chembiochem. 2002;3:226-33 pubmed
  5. request reprint
    Pintacuda G, Giraud N, Pierattelli R, Böckmann A, Bertini I, Emsley L. Solid-state NMR spectroscopy of a paramagnetic protein: assignment and study of human dimeric oxidized CuII-ZnII superoxide dismutase (SOD). Angew Chem Int Ed Engl. 2007;46:1079-82 pubmed
  6. request reprint
    Kalodimos C, Gerothanassis I, Pierattelli R, Troganis A. Multinuclear (13C, 17O, 57Fe) NMR studies of carbonmonoxy heme proteins and synthetic model compounds. J Inorg Biochem. 2000;79:371-80 pubmed
  7. Laage S, Sachleben J, Steuernagel S, Pierattelli R, Pintacuda G, Emsley L. Fast acquisition of multi-dimensional spectra in solid-state NMR enabled by ultra-fast MAS. J Magn Reson. 2009;196:133-41 pubmed publisher
    ..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. ..
  8. request reprint
    Bertini I, Luchinat C, Parigi G, Pierattelli R. NMR spectroscopy of paramagnetic metalloproteins. Chembiochem. 2005;6:1536-49 pubmed
    ..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. ..
  9. request reprint
    Bertini I, Jonsson B, Luchinat C, Pierattelli R, Vila A. Strategies of signal assignments in paramagnetic metalloproteins. An NMR investigation of the thiocyanate adduct of the cobalt (II)-substituted human carbonic anhydrase II. J Magn Reson B. 1994;104:230-9 pubmed
    ..More than 35 signals of protons around cobalt (II) have been assigned. ..
  10. request reprint
    Banci L, Pierattelli R, Turner D. Determination of haem electronic structure in cytochrome b5 and metcyanomyoglobin. Eur J Biochem. 1995;232:522-7 pubmed
  11. request reprint
    Giani I, Lapi E, Fasulo A, Falcini F, Pierattelli M, Ruggeri M. [Mucocutaneous lymph node syndrome]. Pediatr Med Chir. 1982;4:297-302 pubmed
    ..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. ..
  12. request reprint
    Battistuzzi G, Bellei M, Leonardi A, Pierattelli R, De Candia A, Vila A, et al. Reduction thermodynamics of the T1 Cu site in plant and fungal laccases. J Biol Inorg Chem. 2005;10:867-73 pubmed
    ..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. ..
  13. request reprint
    Tzakos A, Naqvi N, Comporozos K, Pierattelli R, Theodorou V, Husain A, et al. The molecular basis for the selection of captopril cis and trans conformations by angiotensin I converting enzyme. Bioorg Med Chem Lett. 2006;16:5084-7 pubmed
  14. request reprint
    Ab E, Atkinson A, Banci L, Bertini I, Ciofi Baffoni S, Brunner K, et al. NMR in the SPINE Structural Proteomics project. Acta Crystallogr D Biol Crystallogr. 2006;62:1150-61 pubmed
    ..The inclusion of NMR spectroscopy in structural proteomics pipelines improves the success rate for protein structure determinations. ..
  15. request reprint
    Banci L, Bertini I, Eltis L, Felli I, Kastrau D, Luchinat C, et al. The three-dimensional structure in solution of the paramagnetic high-potential iron-sulfur protein I from Ectothiorhodospira halophila through nuclear magnetic resonance. Eur J Biochem. 1994;225:715-25 pubmed
    ..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. ..
  16. request reprint
    Borsari M, Dikaya E, Dikiy A, Gonchar M, Maidan M, Pierattelli R, et al. Isolation and physico-chemical characterization of a cytochrome c from the methylotrophic yeast Hansenula polymorpha. Biochim Biophys Acta. 2000;1543:174-88 pubmed
    ..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. ..
  17. Felli I, Pierattelli R, Glaser S, Luy B. Relaxation-optimised Hartmann-Hahn transfer using a specifically Tailored MOCCA-XY16 mixing sequence for carbonyl-carbonyl correlation spectroscopy in 13C direct detection NMR experiments. J Biomol NMR. 2009;43:187-96 pubmed publisher
    ..We show here that its adapted version is particularly suited for carbonyl-carbonyl correlations in (13)C direct detection NMR experiments. ..
  18. request reprint
    Bertini I, Felli I, Gonnelli L, Pierattelli R, Spyranti Z, Spyroulias G. Mapping protein-protein interaction by 13C'-detected heteronuclear NMR spectroscopy. J Biomol NMR. 2006;36:111-22 pubmed
    ..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. ..
  19. request reprint
    Babini E, Felli I, Lelli M, Luchinat C, Pierattelli R. Backbone and side-chains 1H, 13C and 15N NMR assignment of human beta-parvalbumin. J Biomol NMR. 2005;33:137 pubmed
  20. Banci L, Dugad L, La Mar G, Keating K, Luchinat C, Pierattelli R. 1H nuclear magnetic resonance investigation of cobalt(II) substituted carbonic anhydrase. Biophys J. 1992;63:530-43 pubmed
    ..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. ..
  21. request reprint
    Bertini I, Felli I, Kümmerle R, Moskau D, Pierattelli R. 13C-13C NOESY: an attractive alternative for studying large macromolecules. J Am Chem Soc. 2004;126:464-5 pubmed
  22. request reprint
    Banci L, Camarero S, Martinez A, Martinez M, Pérez Boada M, Pierattelli R, et al. NMR study of manganese(II) binding by a new versatile peroxidase from the white-rot fungus Pleurotus eryngii. J Biol Inorg Chem. 2003;8:751-60 pubmed
    ..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. ..
  23. Bertini I, Luchinat C, Parigi G, Pierattelli R. Perspectives in paramagnetic NMR of metalloproteins. Dalton Trans. 2008;:3782-90 pubmed publisher
  24. request reprint
    Bertini I, Couture M, Donaire A, Eltis L, Felli I, Luchinat C, et al. The solution structure refinement of the paramagnetic reduced high-potential iron-sulfur protein I from Ectothiorhodospira halophila by using stable isotope labeling and nuclear relaxation. Eur J Biochem. 1996;241:440-52 pubmed
  25. request reprint
    Pierattelli R, Turner D. Analysis of the paramagnetic shifts of haem carbon resonances in bovine ferricytochrome b5. Eur Biophys J. 1996;24:342-7 pubmed
    ..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. ..
  26. Laage S, Marchetti A, Sein J, Pierattelli R, Sass H, Grzesiek S, et al. Band-selective 1H-13C cross-polarization in fast magic angle spinning solid-state NMR spectroscopy. J Am Chem Soc. 2008;130:17216-7 pubmed publisher
    ..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. ..
  27. request reprint
    Bartolozzi G, Falcini F, Pierattelli M, Volpi M, Matucci Cerinic M. [Articular manifestations of 11 cases of Kawasaki syndrome observed in Toscana]. Rev Rhum Mal Osteoartic. 1985;52:157-60 pubmed
    ..Only a study involving a much greater number of patients could establish whether genetics plays a major role in the development of the disease. ..
  28. Laage S, Lesage A, Emsley L, Bertini I, Felli I, Pierattelli R, et al. Transverse-dephasing optimized homonuclear j-decoupling in solid-state NMR spectroscopy of uniformly 13C-labeled proteins. J Am Chem Soc. 2009;131:10816-7 pubmed publisher
    ..This method allows the resolution of 145 signals in the highly crowded carbonyl region in the NCO correlation spectrum. ..
  29. request reprint
    Bermel W, Bertini I, Felli I, Matzapetakis M, Pierattelli R, Theil E, et al. A method for C(alpha) direct-detection in protonless NMR. J Magn Reson. 2007;188:301-10 pubmed
    ..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. ..
  30. request reprint
    Danielsson J, Pierattelli R, Banci L, Gräslund A. High-resolution NMR studies of the zinc-binding site of the Alzheimer's amyloid beta-peptide. FEBS J. 2007;274:46-59 pubmed
    ..At low metal ion concentrations, on the other hand, the metal-induced structure of the peptide counteracts aggregation. ..
  31. request reprint
    Bertini I, Jimenez B, Pierattelli R, Wedd A, Xiao Z. Protonless 13C direct detection NMR: characterization of the 37 kDa trimeric protein CutA1. Proteins. 2008;70:1196-205 pubmed
    ..The structural and dynamical knowledge obtained for this system may contribute to understand its biological role. ..
  32. Abriata L, Ledesma G, Pierattelli R, Vila A. Electronic structure of the ground and excited states of the Cu(A) site by NMR spectroscopy. J Am Chem Soc. 2009;131:1939-46 pubmed publisher
    ..These results provide a detailed description of the electronic structure of the Cu(A) site at atomic resolution in solution at physiologically relevant temperature. ..
  33. Bertini I, Giachetti A, Luchinat C, Parigi G, Petoukhov M, Pierattelli R, et al. Conformational space of flexible biological macromolecules from average data. J Am Chem Soc. 2010;132:13553-8 pubmed publisher
    ..The computer program is publicly available using the grid computing infrastructure through the authors' Web portal. ..
  34. request reprint
    Bermel W, Bertini I, Felli I, Pierattelli R, Vasos P. A selective experiment for the sequential protein backbone assignment from 3D heteronuclear spectra. J Magn Reson. 2005;172:324-8 pubmed
    ..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. ..
  35. request reprint
    Bertini I, Felli I, Kümmerle R, Luchinat C, Pierattelli R. (13)C-(13)C NOESY: a constructive use of (13)C-(13)C spin-diffusion. J Biomol NMR. 2004;30:245-51 pubmed
    ..The interpretation was confirmed by simulations. This approach broadens the range of applicability of (13)C-(13)C NOESY spectroscopy. ..
  36. request reprint
    Falcini F, Volpi M, Tafi L, Montanelli F, Taccetti G, Pierattelli M, et al. [Mixed connective tissue disease in childhood. Report of a case]. Pediatr Med Chir. 1988;10:223-5 pubmed
    ..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. ..
  37. request reprint
    Falcini F, Volpi M, Pierattelli M, Taccetti G, Pratesi G, Matucci Cerinich M. [A case of systemic sclerosis in childhood complicated by severe digital ulcers]. Pediatr Med Chir. 1984;6:703-7 pubmed
    ..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. ..
  38. request reprint
    Maeyama M, Sakane G, Pierattelli R, Bertini I, Shibahara T. Adduct of acetylene at sulfur in an oxygen- and sulfur-bridged open cubane cluster complex of tungsten. Inorg Chem. 2001;40:2111-9 pubmed
    ..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. ..
  39. request reprint
    Bartolozzi G, Pela I, Lavoratti G, Bettucci E, Sirovich A, Pierattelli M, et al. [Osteodystrophy in children with chronic renal insufficiency in dialysis therapy]. Pediatr Med Chir. 1982;4:65-9 pubmed
    ..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. ..
  40. Bertini I, Felli I, Gonnelli L, Kumar M V V, Pierattelli R. 13C direct-detection biomolecular NMR spectroscopy in living cells. Angew Chem Int Ed Engl. 2011;50:2339-41 pubmed publisher
  41. request reprint
    Bartolozzi G, Galluzzi F, Marianelli L, Salti R, Lazzeretti L, Pierattelli M, et al. [Our experience with antibiotic therapy in children hospitalized between 1979 and 1981]. Pediatr Med Chir. 1983;5:171-8 pubmed
  42. request reprint
    Luchinat C, Piccioli M, Pierattelli R, Engelke F, Marquardsen T, Ruin R. Development of NMR instrumentation to achieve excitation of large bandwidths in high-resolution spectra at high field. J Magn Reson. 2001;150:161-6 pubmed
  43. request reprint
    Donaire A, Jimenez B, Fernandez C, Pierattelli R, Niizeki T, Moratal J, et al. Metal-ligand interplay in blue copper proteins studied by 1H NMR spectroscopy: Cu(II)-pseudoazurin and Cu(II)-rusticyanin. J Am Chem Soc. 2002;124:13698-708 pubmed
    ..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. ..
  44. request reprint
    Banci L, Pierattelli R. The interaction of the nitrate anion with cytochrome c peroxidase: a 15N-NMR study. Spectrochim Acta A Mol Biomol Spectrosc. 1999;55A:415-20 pubmed
  45. request reprint
    Barbieri R, Hore P, Luchina C, Pierattelli R. An NMR method for studying the kinetics of metal exchange in biomolecular systems. J Biomol NMR. 2002;23:303-9 pubmed
    ..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. ..
  46. request reprint
    Banci L, Bertini I, Cantini F, Felli I, Gonnelli L, Hadjiliadis N, et al. The Atx1-Ccc2 complex is a metal-mediated protein-protein interaction. Nat Chem Biol. 2006;2:367-8 pubmed
    ..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. ..
  47. Bermel W, Bertini I, Csizmok V, Felli I, Pierattelli R, Tompa P. H-start for exclusively heteronuclear NMR spectroscopy: the case of intrinsically disordered proteins. J Magn Reson. 2009;198:275-81 pubmed publisher
    ..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. ..
  48. request reprint
    Vichi G, Falcini F, Pierattelli M, Jenuso R, Ceruso M. Case report 401: Idiopathic carpal/tarsal osteolysis (ICTO) associated with nephropathy. Skeletal Radiol. 1986;15:665-71 pubmed
  49. Bermel W, Bertini I, Felli I, Peruzzini R, Pierattelli R. Exclusively heteronuclear NMR experiments to obtain structural and dynamic information on proteins. Chemphyschem. 2010;11:689-95 pubmed publisher
    ..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. ..
  50. request reprint
    Bertini I, Luchinat C, Pierattelli R, Vila A. The interaction of acetate and formate with cobalt carbonic anhydrase. An NMR study. Eur J Biochem. 1992;208:607-15 pubmed
    ..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]. ..
  51. Sgrignani J, Pierattelli R. Nuclear magnetic resonance signal chemical shifts and molecular simulations: a multidisciplinary approach to modeling copper protein structures. J Biol Inorg Chem. 2012;17:71-9 pubmed publisher
    ..The metal centers were modeled using molecular dynamics simulations with molecular mechanics potentials. The results obtained are evaluated and discussed. ..
  52. request reprint
    Rosselli P, Pierattelli M, Ferrari R, Rinaldi R, Rapi G, Mattei R, et al. [Sensitivity and specificity of antigliadine antibodies in the diagnosis of celiac disease in a population of children in Toscana]. Pediatr Med Chir. 1989;11:301-5 pubmed
    ..On gluten free diet the titres of AGA IgA returned to normal value in three months, while the AGA IgG showed a slower decrease. ..
  53. Brutscher B, Felli I, Gil Caballero S, Hošek T, Kümmerle R, Piai A, et al. NMR Methods for the Study of Instrinsically Disordered Proteins Structure, Dynamics, and Interactions: General Overview and Practical Guidelines. Adv Exp Med Biol. 2015;870:49-122 pubmed publisher
    ..3.7), sequential NMR assignment: 3D experiments (Sect. 3.8), high-dimensional NMR experiments (nD, with n>3) (Sect. 3.9) and conclusions and perspectives (Sect. 3.10). ..
  54. Piai A, Calçada E, Tarenzi T, Grande A, Varadi M, Tompa P, et al. Just a Flexible Linker? The Structural and Dynamic Properties of CBP-ID4 Revealed by NMR Spectroscopy. Biophys J. 2016;110:372-381 pubmed publisher
  55. Nogueira M, Hošek T, Calçada E, Castiglia F, Massimi P, Banks L, et al. Monitoring HPV-16 E7 phosphorylation events. Virology. 2017;503:70-75 pubmed publisher
    ..Along these lines we show here the effect of one of the key post-translational modifications of HPV-16 E7, the phosphorylation by casein kinase II. ..