XRD2 Publications

A list of publications in which data was collected at the XRD2 beamline. All these publications can be found (and added) in the publications area in the Virtual Unified Office (VUO) web page, after registration.

Every year, ELETTRA publishes 'ELETTRA Highlights' reporting a selection of the work done at the Laboratory during the last twelve months. In this page you will find a brief presentation of the experiments done at the XRD2 beamline and present in ELETTRA Highlights, along with other relevant results obtained at the beamline.

You can access XRD2 structures released on Protein Data Bank from our BioSync page or this link.


  1. ARN25068, a versatile starting point towards triple GSK-3β/FYN/DYRK1A inhibitors to tackle tau-related neurological disorders
    Demuro Stefania, Sauvey Conall, Tripathi Shailesh K., Di Martino Rita M.C., Shi Da, Ortega Jose A., Russo Debora, Balboni Beatrice, Giabbai Barbara, Storici P., Girotto S., Abagyan Ruben, Cavalli Andrea
    European Journal of Medicinal Chemistry, Vol. 229, p. 114054 (2022)
    doi: 10.1016/j.ejmech.2021.114054 (Journal Article)
  2. Benzoselenoates: A novel class of carbonic anhydrase inhibitors
    Tanini Damiano, Capperucci Antonella, Locuoco Maria, Ferraroni Marta, Costantino Gabriele, Angeli Andrea, Supuran Claudiu T.
    Bioorganic Chemistry, Vol. 122, p. 105751 (2022)
    doi: 10.1016/j.bioorg.2022.105751 (Journal Article)
  3. Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus
    Fata Francesca, Gencheva Radosveta, Cheng Qing, Lullo Rachel, Ardini Matteo, Silvestri Ilaria, Gabriele Federica, Ippoliti Rodolfo, Bulman Christina A., Sakanari Judy A., Williams David L., Arnér Elias S.J., Angelucci Francesco
    Redox Biology, Vol. 51, p. 102278 (2022)
    doi: 10.1016/j.redox.2022.102278 (Journal Article)
  4. Cationic palladium(ii)-indenyl complexes bearing phosphines as ancillary ligands: synthesis, and study of indenyl amination and anticancer activity
    Bortolamiol Enrica, Fama Francesco, Zhang Ziyun, Demitri Nicola, Cavallo Luigi, Caligiuri Isabella, Rizzolio Flavio, Scattolin Thomas, Visentin Fabiano
    Dalton Trans., Vol. 51 - 29, pp. 11135-11151 (2022)
    doi: 10.1039/D2DT01821G (Journal Article)
  5. Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase
    Mahto Jai Krishna, Sharma Monica, Neetu Neetu, Kayastha Arpan, Aggarwal Shubham, Kumar Pravindra
    Archives of Biochemistry and Biophysics, Vol. 727, p. 109314 (2022)
    doi: 10.1016/j.abb.2022.109314 (Journal Article)
  6. Development of Praziquantel sulphonamide derivatives as antischistosomal drugs
    Angeli Andrea, Ferraroni Marta, Carta Fabrizio, Häberli Cécile, Keiser Jennifer, Costantino Gabriele, Supuran Claudiu T.
    Journal of Enzyme Inhibition and Medicinal Chemistry, Vol. 37 - 1, pp. 1479-1494 (2022)
    doi: 10.1080/14756366.2022.2078970 (Journal Article)
  7. Diastereomeric dinickel(ii) complexes with non-innocent bis(octaazamacrocyclic) ligands: isomerization, spectroelectrochemistry, DFT calculations and use in catalytic oxidation of cyclohexane
    Dobrov A., Darvasiová D., Zalibera M., Bučinský L., Jelemenská I., Rapta P., Shova S., Dumitrescu D.G., Andrade M.A., Martins L.M.D.R.S., Pombeiro A.J.L., Arion V.B.
    Dalton Transactions, Vol. 51 - 13, pp. 5151-5167 (2022)
    doi: 10.1039/D2DT00154C (Journal Article)
  8. Digging into protein metalation differences triggered by fluorine containing-dirhodium tetracarboxylate analogues
    Loreto Domenico, Esposito Anna, Demitri Nicola, Guaragna Annalisa, Merlino Antonello
    Dalton Transactions, Vol. 51 - 18, pp. 7294-7304 (2022)
    doi: 10.1039/D2DT00873D (Journal Article)
  9. Discovering Crystal Forms of the Novel Molecular Semiconductor OEG-BTBT
    Pandey Priya, Demitri Nicola, Gigli Lara, James Ann Maria, Devaux Félix, Geerts Yves Henri, Modena Enrico, Maini Lucia
    Crystal Growth and Design, Vol. 22 - 3, pp. 1680-1690 (2022)
    doi: 10.1021/acs.cgd.1c01203 (Journal Article)
  10. Elucidation of Structure–Activity Relationships in Indolobenzazepine-Derived Ligands and Their Copper(II) Complexes: the Role of Key Structural Components and Insight into the Mechanism of Action
    Kuznetcova Irina, Bacher Felix, Alfadul Samah Mutasim, Tham Max Jing Rui, Ang Wee Han, Babak Maria V., Rapta Peter, Arion Vladimir B.
    Inorg. Chem., Vol. 61 - 26, pp. 10167-10181 (2022)
    doi: 10.1021/acs.inorgchem.2c01375 (Journal Article)
  11. Experimental and theoretical study of novel amino-functionalized P(V) coordination compounds suggested as inhibitor of MPro of SARS-COV-2 by molecular docking study
    Najarianzadeh Mobina, Tarahhomi Atekeh, Pishgo Samaneh, van der Lee Arie
    Applied Organometallic Chemistry, Vol. 36 - 5, p. e6636 (2022)
    doi: 10.1002/aoc.6636 (Journal Article)
  12. Fibril Structure Demonstrates the Role of Iodine Labelling on a Pentapeptide Self-Assembly
    Marchetti Alessandro, Pizzi Andrea, Bergamaschi Greta, Demitri Nicola, Stollberg Ulrike, Diederichsen Ulf, Pigliacelli Claudia, Metrangolo Pierangelo
    Chemistry - A European Journal, Vol. 28 - 14, p. e202104089 (2022)
    doi: 10.1002/chem.202104089 (Journal Article)
  13. High-resolution crystal structure of LpqH, an immunomodulatory surface lipoprotein of Mycobacterium tuberculosis reveals a distinct fold and a conserved cleft on its surface
    Chatterjee Shruti, Kundapura Shankar V., Basak Aditya J., Mukherjee Debangshu, Dash Sagarika, Ganguli Namrata, Das Amit K., Mukherjee Gayatri, Samanta Dibyendu, Ramagopal Udupi A.
    International Journal of Biological Macromolecules, Vol. 210, pp. 494-503 (2022)
    doi: 10.1016/j.ijbiomac.2022.04.196 (Journal Article)
  14. Host–Guest Silicalite-1 Zeolites: Correlated Disorder and Phase Transition Inhibition by a Small Guest Modification
    Fabbiani M., Al-Nahari Shadi, Piveteau Laura, Dib Eddy, Veremeienko Vasyl, Gaje Arnold, Dumitrescu Dan G., Gaveau Philippe, Mineva Tzonka, Massiot Dominique, van der Lee A., Haines J., Alonso Bruno
    Chemistry of Materials, Vol. 34 - 1, pp. 366-387 (2022)
    doi: 10.1021/acs.chemmater.1c03721 (Journal Article)
  15. Identification of Novel GSK-3β Hits Using Competitive Biophysical Assays
    Balboni Beatrice, Tripathi Shailesh K., Veronesi Marina, Russo Debora, Penna Ilaria, Giabbai Barbara, Bandiera Tiziano, Storici Paola, Girotto Stefania, Cavalli Andrea
    International Journal of Molecular Sciences, Vol. 23 - 7, p. 3856 (2022)
    doi: 10.3390/ijms23073856 (Journal Article)
  16. Indenyl and Allyl Palladate Complexes Bearing N-Heterocyclic Carbene Ligands: an Easily Accessible Class of New Anticancer Drug Candidates
    Scattolin Thomas, Pessotto Ilenia, Cavarzerani Enrico, Canzonieri Vincenzo, Orian Laura, Demitri Nicola, Schmidt Claudia, Casini Angela, Bortolamiol Enrica, Visentin Fabiano, Rizzolio Flavio, Nolan Steven P.
    European Journal of Inorganic Chemistry, Vol. 2022 - 16, p. e202200103 (2022)
    doi: 10.1002/ejic.202200103 (Journal Article)
  17. L- to D-Amino Acid Substitution in the Immunodominant LCMV-Derived Epitope gp33 Highlights the Sensitivity of the TCR Recognition Mechanism for the MHC/Peptide Structure and Dynamics
    Ballabio Federico, Broggini Luca, Paissoni Cristina, Han Xiao, Peqini Kaliroi, Sala Benedetta Maria, Sun Renhua, Sandalova Tatyana, Barbiroli Alberto, Achour Adnane, Pellegrino Sara, Ricagno Stefano, Camilloni Carlo
    ACS Omega, Vol. 7 - 11, pp. 9622-9635 (2022)
    doi: 10.1021/acsomega.1c06964 (Journal Article)
  18. One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes
    Vannozzi Gioele, Vullo Daniela, Angeli A., Ferraroni Marta, Combs Jacob, Lomelino Carrie, Andring Jacob, Mckenna Robert, Bartolucci Gianluca, Pallecchi Marco, Lucarini Laura, Sgambellone Silvia, Masini Emanuela, Carta Fabrizio, Supuran Claudiu T.
    Journal of Medicinal Chemistry, Vol. 65 - 1, pp. 824-837 (2022)
    doi: 10.1021/acs.jmedchem.1c01906 (Journal Article)
  19. Oxaliplatin inhibits angiogenin proliferative and cell migration effects in prostate cancer cells
    Marzo Tiziano, Ferraro Giarita, Cucci Lorena Maria, Pratesi Alessandro, Hansson Örjan, Satriano Cristina, Merlino A., La Mendola Diego
    Journal of Inorganic Biochemistry, Vol. 226, p. 111657 (2022)
    doi: 10.1016/j.jinorgbio.2021.111657 (Journal Article)
  20. Phenanthrene-Extended Phenazine Dication: An Electrochromic Conformational Switch Presenting Dual Reactivity
    Dosso Jacopo, Bartolomei Beatrice, Demitri Nicola, Cossío Fernando P., Prato Maurizio
    Journal of the American Chemical Society, Vol. 144 - 16, pp. 7295-7301 (2022)
    doi: 10.1021/jacs.2c00493 (Journal Article)
  21. Point Mutations at a Key Site Alter the Cytochrome P450 OleP Structural Dynamics
    Montemiglio Linda C., Gugole Elena, Freda Ida, Exertier Cécile, D'Auria Lucia, Chen Cheng G., Nardi Alessandro N., Cerutti Gabriele, Parisi Giacomo, D'Abramo Marco, Savino C., Vallone B.
    Biomolecules, Vol. 12 - 1, p. 55 (2022)
    doi: 10.3390/biom12010055 (Journal Article)
  22. Protein-Protein Interactions in Diseases - Expression, Purification, Crystallization, and Interaction of a 14-3-3 Protein
  23. Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins
    Loreto Domenico, Esposito Anna, Demitri Nicola, Guaragna Annalisa, Merlino Antonello
    Dalton Transactions, Vol. 51 - 9, pp. 3695-3705 (2022)
    doi: 10.1039/D2DT00082B (Journal Article)
  24. Selenocarbamates As a Prodrug-Based Approach to Carbonic Anhydrase Inhibition
    Angeli Andrea, Ferraroni Marta, Capperucci Antonella, Tanini Damiano, Costantino Gabriele, Supuran Claudiu T.
    ChemMedChem, Vol. 17 - 11, p. e202200085 (2022)
    doi: 10.1002/cmdc.202200085 (Journal Article)
  25. Structural Odd–Even Effect Impacting the Dimensionality of Transport in BTBT-CnOH Organic Field Effect Transistors
    Roche Gilles H., Bruckner Gudrun, Dumitrescu Dan G., Moreau Joël J. E., van der Lee A., Wantz Guillaume, Dautel Olivier J.
    Advanced Electronic Materials, Vol. 8 - 1, p. 2100265 (2022)
    doi: 10.1002/aelm.202100265 (Journal Article)
  26. Structural and functional analysis of RTEL1, an FeS helicase
    Cortone G.
  27. Structural and functional insights into the DNA damage-inducible protein 1 (Ddi1) from protozoa
    Asaithambi Killivalavan, Biswas Iman, Suguna Kaza
    Current Research in Structural Biology, Vol. 4, pp. 175-191 (2022)
    doi: 10.1016/j.crstbi.2022.05.003 (Journal Article)
  28. Structural insights into GABA transport inhibition using an engineered neurotransmitter transporter
    Joseph Deepthi, Nayak Smruti Ran, Penmatsa Aravind
    The EMBO Journal, Vol. 41 - 15, p. e110735 (2022)
    doi: 10.15252/embj.2022110735 (Journal Article)
  29. Structure and Carbohydrate Recognition by the Nonmitogenic Lectin Horcolin
    Narayanan Vaishali, Bobbili Kishore Babu, Sivaji Nukathoti, Jayaprakash Nisha G., Suguna Kaza, Surolia Avadhesha, Sekhar Ashok
    Biochemistry, Vol. 61 - 6, pp. 464-478 (2022)
    doi: 10.1021/acs.biochem.1c00778 (Journal Article)
  30. Sulfonamide diuretic azosemide as an efficient carbonic anhydrase inhibitor
    Ferraroni Marta, Angeli Andrea, Pinteala Mariana, Supuran Claudiu T.
    Journal of Molecular Structure, Vol. 1268, p. 133672 (2022)
    doi: 10.1016/j.molstruc.2022.133672 (Journal Article)
  31. Sultam based Carbonic Anhydrase VII inhibitors for the management of neuropathic pain
    Akgül Özlem, Lucarini Elena, Mannelli Lorenzo Di Cesare, Ghelardini Carla, D'Ambrosio Katia, Buonanno Martina, Monti Simona Maria, De Simone G., Angeli A., Supuran Claudiu T., Carta Fabrizio
    European Journal of Medicinal Chemistry, Vol. 227, p. 113956 (2022)
    doi: 10.1016/j.ejmech.2021.113956 (Journal Article)
  32. Synthesis, characterization, and anticancer activity of ferrocenyl complexes bearing different organopalladium fragments
    Scattolin Thomas, Moro Giulia, Serena Anita, Guadagnin Pattaro Alessia, Rizzolio Flavio, Canzonieri Vincenzo, Demitri Nicola, Bortolamiol Enrica, Moretto Ligia Maria, Visentin Fabiano
    Applied Organometallic Chemistry, Vol. 36 - 5, p. e6629 (2022)
    doi: 10.1002/aoc.6629 (Journal Article)
  33. The Unexpected Helical Supramolecular Assembly of a Simple Achiral Acetamide Tecton Generates Selective Water Channels
    Dumitrescu Dan G., Rull-Barull Jordi, Martin Anthony R., Masquelez Nathalie, Polentarutti Maurizio, Heroux Annie, Demitri Nicola, Bais Giorgio, Moraru Ionut-Tudor, Poteau Romuald, Amblard Muriel, Krajnc Andraž, Mali Gregor, Legrand Yves-Marie, van der Lee Arie, Legrand Baptiste
    Chemistry – A European Journal, Vol. 28 - 33, p. e202200383 (2022)
    doi: 10.1002/chem.202200383 (Journal Article)
  34. Unexpected Imidazole Coordination to the Dirhodium Center in a Protein Environment: Insights from X-ray Crystallography and Quantum Chemistry
    Loreto Domenico, Fasulo Francesca, Muñoz-García Ana B., Pavone Michele, Merlino Antonello
    Inorg. Chem., Vol. 61 - 22, pp. 8402-8405 (2022)
    doi: 10.1021/acs.inorgchem.2c01370 (Journal Article)
Last Updated on Friday, 24 September 2021 08:45