HZB-MX related Publications and Structures

This page lists 1485 publications with direct reference to 3505 PDB structures (out of 4395 released) citing the X-ray diffraction experiments at the HZB-MX beamlines. The sort order is by electronic publication date, with the latest one at the top.

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Publications and Structures from Bessy-MX

• SARS-CoV-2 M pro oligomerization as a potential target for therapy
  Lis, K.; Plewka, J.; Menezes, F.; Bielecka, E.; Chykunova, Y.; Pustelny, K.; Niebling, S.; Garcia, A.S.; Garcia-Alai, M.; Popowicz, G.M.; Czarna, A.; Kantyka, T.; Pyrc, K.
  Int J Biol Macromol (267), 131392-131392 (2024)
  DOI: 10.1016/j.ijbiomac.2024.131392
  PubMed ID: 38582483
  

• Pathogenic mutations of human phosphorylation sites affect protein-protein interactions
  Rrustemi, T.; Meyer, K.; Roske, Y.; Uyar, B.; Akalin, A.; Imami, K.; Ishihama, Y.; Daumke, O.; Selbach, M.
  Nat Commun (15), 3146-3146 (2024)
  DOI: 10.1038/s41467-024-46794-8
  PubMed ID: 38605029
  

• Structure-functional characterization of Lactococcus AbiA phage defense system
  Gapinska, M.; Zajko, W.; Skowronek, K.; Figiel, M.; Krawczyk, P.S.; Egorov, A.A.; Dziembowski, A.; Johansson, M.J.O.; Nowotny, M.
  Nucleic Acids Res (2024)
  DOI: 10.1093/nar/gkae230
  PubMed ID: 38587192
  

• Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies
  Oszajca, M.; Flejszar, M.; Szura, A.; Drozdz, P.; Brindell, M.; Kurpiewska, K.
  Front Chem (12), 1371637-1371637 (2024)
  DOI: 10.3389/fchem.2024.1371637
  PubMed ID: 38638879
  

• Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function
  Klima, M.; Dejmek, M.; Duchoslav, V.; Eisenreichova, A.; Sala, M.; Chalupsky, K.; Chalupska, D.; Novotna, B.; Birkus, G.; Nencka, R.; Boura, E.
  Structure (32), 433 (2024)
  DOI: 10.1016/j.str.2024.01.008
  PubMed ID: 38325369
  

• Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors
  Lange, R.W.; Bloch, K.; Heindl, M.R.; Wollenhaupt, J.; Weiss, M.S.; Brandstetter, H.; Klebe, G.; Falcone, F.H.; Bottcher-Friebertshauser, E.; Dahms, S.O.; Steinmetzer, T.
  ChemMedChem, e202400057-e202400057 (2024)
  DOI: 10.1002/cmdc.202400057
  PubMed ID: 38385828
  

• Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1
  Czestkowski, W.; Krzeminski, L.; Piotrowicz, M.C.; Mazur, M.; Pluta, E.; Andryianau, G.; Koralewski, R.; Matyszewski, K.; Olejniczak, S.; Kowalski, M.; Lisiecka, K.; Koziel, R.; Piwowar, K.; Papiernik, D.; Nowotny, M.; Napiorkowska-Gromadzka, A.; Nowak, E.; Niedzialek, D.; Wieczorek, G.; Siwinska, A.; Rejczak, T.; Jedrzejczak, K.; Mulewski, K.; Olczak, J.; Zaslona, Z.; Golebiowski, A.; Drzewicka, K.; Bartoszewicz, A.
  J Med Chem (67), 3959-3985 (2024)
  DOI: 10.1021/acs.jmedchem.3c02255
  PubMed ID: 38427954
  

• ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat
  Nishio, S.; Emori, C.; Wiseman, B.; Fahrenkamp, D.; Dioguardi, E.; Zamora-Caballero, S.; Bokhove, M.; Han, L.; Stsiapanava, A.; Algarra, B.; Lu, Y.; Kodani, M.; Bainbridge, R.E.; Komondor, K.M.; Carlson, A.E.; Landreh, M.; de Sanctis, D.; Yasumasu, S.; Ikawa, M.; Jovine, L.
  Cell (187), 1440-1459.e24 (2024)
  DOI: 10.1016/j.cell.2024.02.013
  PubMed ID: 38490181
  

• The role of CE16 exo-deacetylases in hemicellulolytic enzyme mixtures revealed by the biochemical and structural study of the novel TtCE16B esterase
  Pentari, C.; Zerva, A.; Kosinas, C.; Karampa, P.; Puchart, V.; Dimarogona, M.; Topakas, E.
  Carbohydr Polym (327), 121667-121667 (2024)
  DOI: 10.1016/j.carbpol.2023.121667
  PubMed ID: 38171682
  

• Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets
  Charalampidou, A.; Nehls, T.; Meyners, C.; Gandhesiri, S.; Pomplun, S.; Pentelute, B.L.; Lermyte, F.; Hausch, F.
  ACS Cent Sci (10), 649-657 (2024)
  DOI: 10.1021/acscentsci.3c01283
  PubMed ID: 38559286
  

• Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct
  Zehe, M.; Kehrein, J.; Schollmayer, C.; Plank, C.; Kovacs, H.; Merino Asumendi, E.; Holzgrabe, U.; Grimm, C.; Sotriffer, C.
  ACS Chem Biol (2024)
  DOI: 10.1021/acschembio.3c00589
  PubMed ID: 38317495
  

• Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins
  Fu, C.; Liu, Y.; Walt, C.; Rasheed, S.; Bader, C.D.; Lukat, P.; Neuber, M.; Haeckl, F.P.J.; Blankenfeldt, W.; Kalinina, O.V.; Muller, R.
  Nat Commun (15), 791-791 (2024)
  DOI: 10.1038/s41467-024-44953-5
  PubMed ID: 38278788
  

• Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839
  Bothe, U.; Gunther, J.; Nubbemeyer, R.; Siebeneicher, H.; Ring, S.; Bomer, U.; Peters, M.; Rausch, A.; Denner, K.; Himmel, H.; Sutter, A.; Terebesi, I.; Lange, M.; Wengner, A.M.; Guimond, N.; Thaler, T.; Platzek, J.; Eberspacher, U.; Schafer, M.; Steuber, H.; Zollner, T.M.; Steinmeyer, A.; Schmidt, N.
  J Med Chem (67), 1225-1242 (2024)
  DOI: 10.1021/acs.jmedchem.3c01714
  PubMed ID: 38228402
  

• Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies
  Altincekic, N.; Jores, N.; Lohr, F.; Richter, C.; Ehrhardt, C.; Blommers, M.J.J.; Berg, H.; Ozturk, S.; Gande, S.L.; Linhard, V.; Orts, J.; Abi Saad, M.J.; Butikofer, M.; Kaderli, J.; Karlsson, B.G.; Brath, U.; Hedenstrom, M.; Grobner, G.; Sauer, U.H.; Perrakis, A.; Langer, J.; Banci, L.; Cantini, F.; Fragai, M.; Grifagni, D.; Barthel, T.; Wollenhaupt, J.; Weiss, M.S.; Robertson, A.; Bax, A.; Sreeramulu, S.; Schwalbe, H.
  ACS Chem Biol (19), 563-574 (2024)
  DOI: 10.1021/acschembio.3c00720
  PubMed ID: 38232960
  

• Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors
  Novakova, Z.; Tehrani, Z.A.; Jurok, R.; Motlova, L.; Kutil, Z.; Pavlicek, J.; Shukla, S.; Choy, C.J.; Havlinova, B.; Baranova, P.; Berkman, C.E.; Kuchar, M.; Cerny, J.; Barinka, C.
  J Chem Inf Model (2024)
  DOI: 10.1021/acs.jcim.3c01542
  PubMed ID: 38224368
  

• Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors
  Nigam, A.; Hurley, M.F.D.; Li, F.; Konkolova, E.; Klima, M.; Trylcova, J.; Pollice, R.; Cinaroglu, S.S.; Levin-Konigsberg, R.; Handjaya, J.; Schapira, M.; Chau, I.; Perveen, S.; Ng, H.L.; Umit Kaniskan, H.; Han, Y.; Singh, S.; Gorgulla, C.; Kundaje, A.; Jin, J.; Voelz, V.A.; Weber, J.; Nencka, R.; Boura, E.; Vedadi, M.; Aspuru-Guzik, A.
  Biorxiv (2024)
  DOI: 10.1101/2023.10.03.560722
  PubMed ID: 37873443
  

• Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them
  Dalwani, S.; Metz, A.; Huschmann, F.U.; Weiss, M.S.; Wierenga, R.K.; Venkatesan, R.
  Biorxiv (2024)
  DOI: 10.1101/2024.01.11.575214
  

• 1,5-disubstituted Tetrazoles as PD-1/PD-L1 Antagonist
  van der Straat, R.; Draijer, R.; Surmiak, E.; Butera, R.; Land, L.; Magiera-Mularz, K.; Musielak, B.; Plewka, J.; Holak, T.; Domling, A.
  RSC Med Chem (2024)
  DOI: 10.1039/D3MD00746D
  

• Structural studies of chromosomally encoded outer surface lipoprotein BB0158 from Borrelia burgdorferi sensu stricto
  Brangulis, K.; Akopjana, I.; Bogans, J.; Kazaks, A.; Tars, K.
  Ticks Tick Borne Dis (15), 102287-102287 (2024)
  DOI: 10.1016/j.ttbdis.2023.102287
  PubMed ID: 38016210
  

• Discovery of a Potent Proteolysis Targeting Chimera Enables Targeting the Scaffolding Functions of FK506-Binding Protein 51 (FKBP51)
  Geiger, T.M.; Walz, M.; Meyners, C.; Kuehn, A.; Dreizler, J.K.; Sugiarto, W.O.; Maciel, E.V.S.; Zheng, M.; Lermyte, F.; Hausch, F.
  Angew Chem Int Ed Engl (63), e202309706-e202309706 (2024)
  DOI: 10.1002/anie.202309706
  PubMed ID: 37942685
  

• Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation
  Roske, Y.; Cappel, C.; Cremer, N.; Hoffmann, P.; Koudelka, T.; Tholey, A.; Heinemann, U.; Daumke, O.; Damme, M.
  Nucleic Acids Res (52), 370-384 (2024)
  DOI: 10.1093/nar/gkad1114
  PubMed ID: 37994783