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.


2021

  1. A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics
    Gossen Jonas, Albani Simone, Hanke Anton, Joseph Benjamin P., Bergh Cathrine, Kuzikov Maria, Costanzi Elisa, Manelfi Candida, Storici Paola, Gribbon Philip, Beccari Andrea R., Talarico Carmine, Spyrakis Francesca, Lindahl Erik, Zaliani Andrea, Carloni Paolo, Wade Rebecca C., Musiani Francesco, Kokh Daria B., Rossetti Giulia
    ACS Pharmacology and Translational Science, Vol. 4 - 3, pp. 1079-1095 (2021)
    doi: 10.1021/acsptsci.0c00215 (Journal Article)
  2. An original 3D coordination polymer constructed from trinuclear nodes and tetracarboxylato spacers
    Dinca Alina S., Dogaru Andreea, Ion Adrian E., Nica Simona, Dumitrescu D., Shova Sergiu, Lloret Francesc, Julve Miguel, Andruh Marius
    CrystEngComm, Vol. 23 - 6, pp. 1332-1335 (2021)
    doi: 10.1039/D0CE01667E (Journal Article)
  3. Cold Crystallization of the Organic n-Type Small Molecule Semiconductor 2-Decyl-7-phenyl-[1]benzothieno[3,2-b][1]benzothiophene S,S,S′,S′-Tetraoxide
    Bodlos Wolfgang Rao, Mattiello Sara, Perinot Andrea, Gigli L., Demitri N., Beverina Luca, Caironi Mario, Resel Roland
    Crystal Growth and Design, Vol. 21 - 1, pp. 325-332 (2021)
    doi: 10.1021/acs.cgd.0c01157 (Journal Article)
  4. Colorimetric recognition of multiple first-row transition metals: a single water-soluble chemosensor in acidic and basic conditions
    Diana Rosita, Caruso Ugo, Di Costanzo L., Gentile Francesco Silvio, Panunzi Barbara
    Dyes and Pigments, Vol. 184, p. 108832 (2021)
    doi: 10.1016/j.dyepig.2020.108832 (Journal Article)
  5. Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives
    Sebghati Marjan, Tarahhomi Atekeh, Bozorgvar Marjan Sadat, Dumitrescu D.G., van der Lee Arie
    RSC Advances, Vol. 11 - 14, pp. 8178-8197 (2021)
    doi: 10.1039/D0RA10539B (Journal Article)
  6. Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose
    Cerutti Gabriele, Gugole Elena, Montemiglio Linda Celeste, Turbé-Doan Annick, Chena Dehbia, Navarro David, Lomascolo Anne, Piumi François, Exertier Cécile, Freda Ida, Vallone Beatrice, Record Eric, Savino Carmelinda, Sciara Giuliano
    Biotechnology for Biofuels, Vol. 14 - 1, p. 161 (2021)
    doi: 10.1186/s13068-021-02003-y (Journal Article)
  7. Exo-selective intermolecular Diels–Alder reaction by PyrI4 and AbnU on non-natural substrates
    Kashyap Rajnandani, Yerra Naga Veera, Oja Joachyutharayalu, Bala Sandeepchowdary, Potuganti Gal Reddy, Thota Jagadeshwar Reddy, Alla Manjula, Pal Debnath, Addlagatta Anthony
    Communications Chemistry, Vol. 4 - 1, p. 113 (2021)
    doi: 10.1038/s42004-021-00552-9 (Journal Article)
  8. H-Bonding and intramolecular catalysis of proton exchange affect the CEST properties of EuIII complexes with HP-DO3A-like ligands
    Baroni Simona, Carnovale Irene Maria, Carrera Carla, Boccalon Mariangela, Guidolin Nicol, Demitri Nicola, Lattuada Luciano, Tedoldi Fabio, Baranyai Zsolt, Aime Silvio
    Chemical Communications, Vol. 57 - 26, pp. 3287-3290 (2021)
    doi: 10.1039/D1CC00366F (Journal Article)
  9. How a Fragment Draws Attention to Selectivity Discriminating Features between the Related Proteases Trypsin and Thrombin
    Sandner Anna, Ngo Khang, Schiebel Johannes, Pizarroso Angela Ilse Marca, Schmidt Linda, Wenzel Benjamin, Steinmetzer Torsten, Ostermann Andreas, Heine Andreas, Klebe Gerhard
    Journal of Medicinal Chemistry, Vol. 64 - 3, pp. 1611-1625 (2021)
    doi: 10.1021/acs.jmedchem.0c01809 (Journal Article)
  10. Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen
    Kuzikov Maria, Costanzi Elisa, Reinshagen Jeanette, Esposito Francesca, Vangeel Laura, Wolf Markus, Ellinger Bernhard, Claussen Carsten, Geisslinger Gerd, Corona Angela, Iaconis Daniela, Talarico Carmine, Manelfi Candida, Cannalire Rolando, Rossetti Giulia, Gossen Jonas, Albani Simone, Musiani Francesco, Herzog Katja, Ye Yang, Giabbai Barbara, Demitri N., Jochmans Dirk, Jonghe Steven De, Rymenants Jasper, Summa Vincenzo, Tramontano Enzo, Beccari Andrea R., Leyssen Pieter, Storici Paola, Neyts Johan, Gribbon Philip, Zaliani Andrea
    ACS Pharmacology and Translational Science, Vol. 4 - 3, pp. 1096-1110 (2021)
    doi: 10.1021/acsptsci.0c00216 (Journal Article)
  11. Inhibition of urease, a Ni-enzyme: the reactivity of a key thiol with mono- and di-substituted catechols elucidated by kinetic, structural and theoretical studies
    Mazzei Luca, Contaldo Umberto, Musiani Francesco, Cianci M., Bagnolini Greta, Roberti Marinella, Ciurli S.
    Angewandte Chemie - International Edition, Vol. 60 - 11, pp. 6029-6035 (2021)
    doi: 10.1002/anie.202014706 (Journal Article)
  12. LrpCBA pilus proteins of gut-dwelling Ligilactobacillus ruminis: crystallization and X-ray diffraction analysis
    Prajapati Amar, Palva Airi, von Ossowski Ingemar, Krishnan Vengadesan
    Acta Crystallographica Section F: Structural Biology Communications, Vol. 77 - 8, pp. 238-245 (2021)
    doi: 10.1107/S2053230X21007263 (Journal Article)
  13. Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase–Carbonic Anhydrase Dual-Hybrid Inhibitors
    Plyasova Anna A., Berrino Emanuela, Khan Irina I., Veselovsky Alexander V., Pokrovsky Vadim S., Angeli Andrea, Ferraroni Marta, Supuran Claudiu T., Pokrovskaya Marina V., Alexandrova Svetlana S., Gladilina Yulia A., Sokolov Nikolay N., Hilal Abdullah, Carta Fabrizio, Zhdanov Dmitry D.
    J. Med. Chem., Vol. 64 - 15, pp. 11432-11444 (2021)
    doi: 10.1021/acs.jmedchem.1c00756 (Journal Article)
  14. Methionine Aminopeptidases with Short Sequence Inserts within the Catalytic Domain are Differentially Inhibited: Structural and biochemical studies of three proteins from Vibrio spp.
    Pillalamarri Vijaykumar, Reddy Chilakala Gangi, Bala Sandeep Chowdary, Jangam Aruna, Kutty Vinny Vinod, Addlagatta Anthony
    European Journal of Medicinal Chemistry, Vol. 209, p. 112883 (2021)
    doi: 10.1016/j.ejmech.2020.112883 (Journal Article)
  15. Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 Å resolution
    Singh Prashant K., Pandey Sadanand, Rani Chitra, Ahmad Nayeem, Viswanathan V., Sharma Pradeep, Kaur Punit, Sharma Sujata, Singh Tej P.
    Journal of Biological Inorganic Chemistry (2021)
    doi: 10.1007/s00775-020-01844-6 (Journal Article)
  16. Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments
    Fata Francesca, Silvestri Ilaria, Ardini Matteo, Ippoliti Rodolfo, Di Leandro Luana, Demitri N., Polentarutti M., Di Matteo Adele, Lyu Haining, Thatcher Gregory R.J., Petukhov Pavel A., Williams David L., Angelucci F.
    ACS Infectious Diseases, Vol. 7 - 7, pp. 1932-1944 (2021)
    doi: 10.1021/acsinfecdis.0c00909 (Journal Article)
  17. Producing natural vanilla extract from green vanilla beans using a β-glucosidase from Alicyclobacillus acidiphilus
    Delgado Lidia, Heckmann Christian M., De Benedetti Stefano, Nardini Marco, Gourlay L.J., Paradisi Francesca
    Journal of Biotechnology, Vol. 329, pp. 21-28 (2021)
    doi: 10.1016/j.jbiotec.2021.01.017 (Journal Article)
  18. Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides
    Angeli Andrea, Ferraroni Marta, Da’dara Akram A., Selleri Silvia, Pinteala Mariana, Carta Fabrizio, Skelly Patrick J., Supuran Claudiu T.
    Journal of Medicinal Chemistry, Vol. 64 - 14, pp. 10418-10428 (2021)
    doi: 10.1021/acs.jmedchem.1c00840 (Journal Article)
  19. Structural and related studies on Mevo lectin from Methanococcus voltae A3. The first thorough characterisation of an archeal lectin and its interactions.
    Sivaji Nukathoti, Suguna Kaza, Surolia Avadhesha, Vijayan Mamannamana
    Glycobiology, Vol. 31 - 3, pp. 315-328 (2021)
    doi: 10.1093/glycob/cwaa063 (Journal Article)
  20. Structural basis of inhibition of a transporter from Staphylococcus aureus, NorC, through a single-domain camelid antibody
    Kumar Sushant, Athreya Arunabh, Gulati Ashutosh, Nair Rahul Mony, Mahendran Ithayaraja, Ranjan Rakesh, Penmatsa A.
    Communications Biology, Vol. 4 - 1, p. 836 (2021)
    doi: 10.1038/s42003-021-02357-x (Journal Article)
  21. Structural basis of norepinephrine recognition and transport inhibition in neurotransmitter transporters
    Pidathala Shabareesh, Mallela Aditya Kumar, Joseph Deepthi, Penmatsa A.
    Nature Communications, Vol. 12 - 1, p. 2199 (2021)
    doi: 10.1038/s41467-021-22385-9 (Journal Article)
  22. Structural basis of ubiquitination mediated by protein splicing in early Eukarya
    Chiarini Valerio, Fiorillo Annarita, Camerini Serena, Crescenzi Marco, Nakamura Shin, Battista Theo, Guidoni Leonardo, Colotti Gianni, Ilari Andrea
    Biochimica et Biophysica Acta - General Subjects, Vol. 1865 - 5, p. 129844 (2021)
    doi: 10.1016/j.bbagen.2021.129844 (Journal Article)
  23. Structural characterization of Myxococcus xanthus MglC, a component of the polarity control system, and its interactions with its paralog MglB
    Kapoor Srajan, Kodesia Akriti, Kalidas Nidhi, Ashish , Thakur Krishan Gopal
    Journal of Biological Chemistry, Vol. 296, p. 100308 (2021)
    doi: 10.1016/j.jbc.2021.100308 (Journal Article)
  24. The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates
    Caliandro R., Polsinelli Ivan, Demitri Nicola, Musiani Francesco, Martens Stefan, Benini Stefano
    International Journal of Biological Macromolecules, Vol. 171, pp. 89-99 (2021)
    doi: 10.1016/j.ijbiomac.2020.12.190 (Journal Article)
  25. Triapine Analogues and Their Copper(II) Complexes: Synthesis, Characterization, Solution Speciation, Redox Activity, Cytotoxicity, and mR2 RNR Inhibition
    Besleaga Iuliana, Stepanenko Iryna, Petrasheuskaya Tatsiana V., Darvasiova Denisa, Breza Martin, Hammerstad Marta, Marć Małgorzata A., Prado-Roller Alexander, Spengler Gabriella, Popović-Bijelić Ana, Enyedy Eva A., Rapta Peter, Shutalev Anatoly D., Arion Vladimir B.
    Inorganic Chemistry, Vol. 60 - 15, pp. 11297-11319 (2021)
    doi: 10.1021/acs.inorgchem.1c01275 (Journal Article)
  26. Unusual structural features in the adduct of dirhodium tetraacetate with lysozyme
    Loreto D., Ferraro G., Merlino A.
    International Journal of Molecular Sciences, Vol. 22 - 3, p. 1496 (2021)
    doi: 10.3390/ijms22031496 (Journal Article)
Last Updated on Monday, 01 March 2021 12:24