XRD2 Publications

2020

1. A Novel DR/NIR T-Shaped AIEgen: Synthesis and X-Ray Crystal Structure Study
   Diana R., Caruso U., Di Costanzo L., Bakayoko G., Panunzi B.
   Crystals, Vol. 10 - 4, p. 269 (2020)
   doi: 10.3390/cryst10040269 (Journal Article)
2. 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
   bioRxiv, p. 2020.12.14.422634 (2020)
   doi: 10.1101/2020.12.14.422634 (Journal Article)
3. Azidothymidine “Clicked” into 1,2,3-Triazoles: First Report on Carbonic Anhydrase–Telomerase Dual-Hybrid Inhibitors
   Berrino Emanuela, Angeli A., Zhdanov Dmitry D., Kiryukhina Anna P., Milaneschi Andrea, De Luca Alessandro, Bozdag Murat, Carradori Simone, Selleri Silvia, Bartolucci Gianluca, Peat Thomas S., Ferraroni Marta, Supuran Claudiu T., Carta Fabrizio
   Journal of Medicinal Chemistry, Vol. 63 - 13, pp. 7392-7409 (2020)
   doi: 10.1021/acs.jmedchem.0c00636 (Journal Article)
4. Characterization of two membrane proteins: a P-IV ATPase from yeast and a bacterial polymerase
   Deganutti C.
   (2020)
   (Thesis)
5. Crystal structure of lactobacillar SpaC reveals an atypical five-domain pilus tip adhesin: Exposing its substrate-binding and assembly in SpaCBA pili
   Kant Abhiruchi, Palva Airi, von Ossowski Ingemar, Krishnan V.
   Journal of Structural Biology, Vol. 211 - 3, p. 107571 (2020)
   doi: 10.1016/j.jsb.2020.107571 (Journal Article)
6. Development of avalanche photodiodes with engineered band gap based upon III-V semiconductors
   Nichetti C.
   (2020)
   (Thesis)
7. Dissecting the Cytochrome P450 OleP Substrate Specificity: Evidence for a Preferential Substrate
   Parisi Giacomo, Freda Ida, Exertier Cécile, Cecchetti Cristina, Gugole Elena, Cerutti Gabriele, D'Auria Lucia, Macone Alberto, Vallone B., Savino C., Montemiglio Linda C.
   Biomolecules, Vol. 10 - 10, pp. 1-17 (2020)
   doi: 10.3390/biom10101411 (Journal Article)
8. High Amino Acid Lattice Loading at Nonambient Conditions Causes Changes in Structure and Expansion Coefficient of Calcite
   Mijowska S., Polishchuk I., Lang A., Seknazi E., Dejoie C., Fermani S., Falini G., Demitri N., Polentarutti M., Katsman A., Pokroy B.
   Chemistry of Materials, Vol. 32 - 10, pp. 4205-4212 (2020)
   doi: 10.1021/acs.chemmater.0c00428 (Journal Article)
9. 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 Nicola, Jochmans Dirk, De Jonghe Steven, Rymenants Jasper, Summa Vincenzo, Tramontano Enzo, Beccari Andrea R., Leyssen Pieter, Storici Paola, Neyts Johan, Gribbon Philip, Zaliani Andrea
   bioRxiv, p. 2020.12.16.422677 (2020)
   doi: 10.1101/2020.12.16.422677 (Journal Article)
10. Insight into the Anticancer Activity of Copper(II) 5-Methylenetrimethylammonium-Thiosemicarbazonates and Their Interaction with Organic Cation Transporters
    Milunović Miljan N. M., Palamarciuc Oleg, Sirbu Angela, Shova Sergiu, Dumitrescu D., Dvoranová Dana, Rapta Peter, Petrasheuskaya Tatsiana V., Enyedy Eva A., Spengler Gabriella, Ilic Marija, Sitte Harald H., Lubec Gert, Arion Vladimir B.
    Biomolecules, Vol. 10 - 9, pp. 1-30 (2020)
    doi: 10.3390/biom10091213 (Journal Article)
11. Lack of orientation selectivity of the heme insertion in murine neuroglobin revealed by resonance Raman spectroscopy
    Milazzo Lisa, Exertier Cécile, Becucci Maurizio, Freda Ida, Montemiglio L.C., Savino C., Vallone B., Smulevich G.
    FEBS Journal, Vol. 287 - 18, pp. 4082-4097 (2020)
    doi: 10.1111/febs.15241 (Journal Article)
12. Molecular basis for the bifunctional Uba4–Urm1 sulfur-relay system in tRNA thiolation and ubiquitin-like conjugation
    Pabis Marta, Termathe Martin, Ravichandran Keerthiraju E, Kienast Sandra D, Krutyhołowa Rościsław, Sokołowski Mikołaj, Jankowska Urszula, Grudnik Przemysław, Leidel Sebastian A, Glatt S.
    EMBO Journal, Vol. 39 - 19, p. e105087 (2020)
    doi: 10.15252/embj.2020105087 (Journal Article)
13. Palladium(II)-η3-Allyl Complexes Bearing N-Trifluoromethyl N-Heterocyclic Carbenes: A New Generation of Anticancer Agents that Restrain the Growth of High-Grade Serous Ovarian Cancer Tumoroids
    Scattolin Thomas, Bortolamiol Enrica, Visentin F., Palazzolo Stefano, Caligiuri Isabella, Perin Tiziana, Canzonieri Vincenzo, Demitri Nicola, Rizzolio Flavio, Togni Antonio
    Chemistry - A European Journal, Vol. 26 - 51, pp. 11868-11876 (2020)
    doi: 10.1002/chem.202002199 (Journal Article)
14. Permethylated dinuclear Mn(III) coordination nanostructure with stripe-ordered magnetic domains
    Shova S., Tiron V., Vlad A., Novitchi G., Dumitrescu D.G., Damoc M., Zaltariov M.-F., Cazacu M.
    Applied Organometallic Chemistry, Vol. 34 - 12, e5957 (2020)
    doi: 10.1002/aoc.5957 (Journal Article)
15. Progressive Folding and Adaptive Multivalent Recognition of Alkyl Amines and Amino Acids in p-Sulfonatocalix[4]arene Hosts: Solid-State and Solution Studies
    Dai L., Feng W.-X., Zheng S.-P., Jiang J.-J., Wang D., van der Lee A., Dumitrescu D., Barboiu M.
    ChemPlusChem, Vol. 85 - 8, pp. 1615-1615 (2020)
    doi: 10.1002/cplu.202000433 (Journal Article)
16. Protein interactions of dirhodium tetraacetate: a structural study
    Ferraro G., Pratesi A., Messori L., Merlino A.
    Dalton Transactions, Vol. 49 - 8, pp. 2412-2416 (2020)
    doi: 10.1039/C9DT04819G (Journal Article)
17. Redistribution reaction on a six-fold coordinated Sn(IV) atom and reactions towards axially unsymmetric substituted Sn(IV) porphyrins
    Stadlbauer Stefan, Grössl Doris, Fischer Roland, Demitri Nicola, Uhlig Frank
    Journal of Organometallic Chemistry, Vol. 925, p. 121470 (2020)
    doi: 10.1016/j.jorganchem.2020.121470 (Journal Article)
18. Selenolesterase enzyme activity of carbonic anhydrases
    Angeli A., Carta F., Donnini S., Capperucci A., Ferraroni M., Tanini D., Supuran C.T.
    Chemical Communications, Vol. 56 - 32, pp. 4444-4447 (2020)
    doi: 10.1039/D0CC00995D (Journal Article)
19. Structural Studies of Enzymes: a Bacterial Flippase and a Human Kinase
    Marcovich I.
    (2020)
    (Thesis)
20. Structural and Functional Studies of a Klebsiella Phage Capsule Depolymerase Tailspike: Mechanistic Insights into Capsular Degradation
    Squeglia F., Maciejewska B., Łątka A., Ruggiero A., Briers Y., Drulis-Kawa Z., Berisio R.
    Structure, Vol. 28 - 6, pp. 613-624.e4 (2020)
    doi: 10.1016/j.str.2020.04.015 (Journal Article)
21. Structural and biochemical characteristics of two Staphylococcus epidermidis RNase J paralogs RNase J1 and RNase J2
    Raj Rishi, Nadig Savitha, Patel Twinkal, Gopal Balasubramanian
    Journal of Biological Chemistry, Vol. 295 - 49, pp. 16863-16876 (2020)
    doi: 10.1074/jbc.ra120.014876 (Journal Article)
22. Structure of intact chitinase with hevein domain from the plant Simarouba glauca, known for its traditional anti-inflammatory efficacy
    Balu Kanal Elamparithi, Ramya K.S., Radha A., Krishnasamy Gunasekaran
    International Journal of Biological Macromolecules, Vol. 161 - 8, pp. 1381-1392 (2020)
    doi: 10.1016/j.ijbiomac.2020.07.284 (Journal Article)
23. Studi strutturali sulla proteina DNA primasi umana.
    Baldassar S.
    (2020)
    (Thesis)
24. The L.donovani Hypoxanthine-guanine phosphoribosyl transferase (HGPRT) oligomer is distinct from the human homolog
    Parihar Pankaj Singh, Pratap J. Venkatesh
    Biochemical and Biophysical Research Communications, Vol. 532 - 4, pp. 499-504 (2020)
    doi: 10.1016/j.bbrc.2020.08.052 (Journal Article)
25. The anticancer activity of an air-stable Pd(i)-NHC (NHC = N-heterocyclic carbene) dimer
    Scattolin Thomas, Bortolamiol Enrica, Palazzolo Stefano, Caligiuri Isabella, Perin Tiziana, Canzonieri Vincenzo, Demitri Nicola, Rizzolio Flavio, Cavallo Luigi, Dereli Busra, Mane Manoj V., Nolan Steven P., Visentin Fabiano
    Chemical Communications, Vol. 56 - 81, pp. 12238-12241 (2020)
    doi: 10.1039/D0CC03883K (Journal Article)
26. The heptameric structure of the flagellar regulatory protein FlrC is indispensable for ATPase activity and disassembled by cyclic-di-GMP
    Chakraborty Shrestha, Biswas Maitree, Dey Sanjay, Agarwal Shubhangi, Chakrabortty Tulika, Ghosh Biplab, Dasgupta Jhimli
    Journal of Biological Chemistry, Vol. 295 - 50, pp. 16960-16974 (2020)
    doi: 10.1074/jbc.RA120.014083 (Journal Article)
27. The structure of clostridioides difficile seca2 atpase exposes regions responsible for differential target recognition of the seca1 and seca2-dependent systems
    Lindič N., Loboda J., Usenik A., Vidmar R., Turk D.
    International Journal of Molecular Sciences, Vol. 21 - 17, pp. 1-17 (2020)
    doi: 10.3390/ijms21176153 (Journal Article)
28. Three new amidophosphoric acid esters with a P(O)[OCH2C(CH3)2CH2O] segment: X-ray diffraction, DFT, AIM and Hirshfeld surface investigations of bi- and tri-furcated (three and four-center) hydrogen bond interactions
    Sadat Bozorgvar M., Tarahhomi A., van der Lee A.
    Zeitschrift fur Kristallographie - Crystalline Materials, Vol. 235 - 3, pp. 69-84 (2020)
    doi: 10.1515/zkri-2019-0050 (Journal Article)
29. X-ray structure of C-phycocyanin from Galdieria phlegrea: Determinants of thermostability and comparison with a C-phycocyanin in the entire phycobilisome
    Ferraro G., Imbimbo P., Marseglia A., Lucignano R., Monti D.M., Merlino A.
    Biochimica et Biophysica Acta - Bioenergetics, Vol. 1861 - 9, p. 148236 (2020)
    doi: 10.1016/j.bbabio.2020.148236 (Journal Article)