HZB-MX related Publications and Structures

This page lists 1512 publications with direct reference to 3574 PDB structures (out of 4441 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

• Structure of SARS-CoV-2 MTase nsp14 with the inhibitor STM957 reveals inhibition mechanism that is shared with a poxviral MTase VP39
  Zilecka, E.; Klima, M.; Stefek, M.; Dejmek, M.; Nencka, R.; Boura, E.
  J Struct Biol X (10), 100109-100109 (2024)
  DOI: 10.1016/j.yjsbx.2024.100109
  PubMed ID: 39188530
  

• Structural dynamics of the TPR domain of the peroxisomal cargo receptor Pex5 in Trypanosoma
  Banasik, M.; Napolitano, V.; Blat, A.; Abdulkarim, K.; Plewka, J.; Czaplewski, C.; Gieldon, A.; Kozak, M.; Wladyka, B.; Popowicz, G.; Dubin, G.
  Int J Biol Macromol (280), 135510-135510 (2024)
  DOI: 10.1016/j.ijbiomac.2024.135510
  PubMed ID: 39304044
  

• Substrate preference, RNA binding and active site versatility of Stenotrophomonas maltophilia nuclease SmNuc1, explained by a structural study
  Adamkova, K.; Trundova, M.; Koval, T.; Hustakova, B.; Kolenko, P.; Duskova, J.; Skalova, T.; Dohnalek, J.
  FEBS J (2024)
  DOI: 10.1111/febs.17265
  PubMed ID: 39361520
  

• Crystal structure of blue laccase BP76, a unique termite suicidal defense weapon
  Skerlova, J.; Brynda, J.; Sobotnik, J.; Zakopcanik, M.; Novak, P.; Bourguignon, T.; Sillam-Dusses, D.; Rezacova, P.
  Structure (32), 1581 (2024)
  DOI: 10.1016/j.str.2024.07.015
  PubMed ID: 39151418
  

• Biological and structural investigation of tetrahydro-beta-carboline-based selective HDAC6 inhibitors with improved stability
  Scheuerer, S.; Motlova, L.; Schaker-Hubner, L.; Sellmer, A.; Feller, F.; Ertl, F.J.; Koch, P.; Hansen, F.K.; Barinka, C.; Mahboobi, S.
  Eur J Med Chem (276), 116676-116676 (2024)
  DOI: 10.1016/j.ejmech.2024.116676
  PubMed ID: 39067437
  

• Structural basis for inhibition of the SARS-CoV-2 nsp16 by substrate-based dual site inhibitors
  Kalnins, G.; Rudusa, L.; Bula, A.; Zelencova-Gopejenko, D.; Bobileva, O.; Sisovs, M.; Tars, K.; Jirgensons, A.; Jaudzems, K.; Bobrovs, R.
  ChemMedChem, e202400618-e202400618 (2024)
  DOI: 10.1002/cmdc.202400618
  PubMed ID: 39258386
  

• Elucidating the Unconventional Binding Mode of a DNA-Encoded Library Hit Provides a Blueprint for Sirtuin 6 Inhibitor Development
  You, W.; Montoya, A.L.; Dana, S.; Franzini, R.M.; Steegborn, C.
  ChemMedChem (19), e202400273-e202400273 (2024)
  DOI: 10.1002/cmdc.202400273
  PubMed ID: 38940296
  

• Structural and functional insights in flavivirus NS5 proteins gained by the structure of Ntaya virus polymerase and methyltransferase
  Krejcova, K.; Krafcikova, P.; Klima, M.; Chalupska, D.; Chalupsky, K.; Zilecka, E.; Boura, E.
  Structure (32), 1099-1109.e3 (2024)
  DOI: 10.1016/j.str.2024.04.020
  PubMed ID: 38781970
  

• Structural characterization of Thogoto Virus nucleoprotein provides insights into viral RNA encapsidation and RNP assembly
  Dick, A.; Mikirtumov, V.; Fuchs, J.; Krupp, F.; Olal, D.; Bendl, E.; Sprink, T.; Diebolder, C.; Kudryashev, M.; Kochs, G.; Roske, Y.; Daumke, O.
  Structure (32), 1068-1078.e5 (2024)
  DOI: 10.1016/j.str.2024.04.016
  PubMed ID: 38749445
  

• Ubiquitin-derived artificial binding proteins targeting oncofetal fibronectin reveal scaffold plasticity by beta-strand slippage
  Katzschmann, A.; Haupts, U.; Reimann, A.; Settele, F.; Gloser-Braunig, M.; Fiedler, E.; Parthier, C.
  Commun Biol (7), 907-907 (2024)
  DOI: 10.1038/s42003-024-06569-9
  PubMed ID: 39068227
  

• Structure-based humanization of a therapeutic antibody for multiple myeloma
  Marino, S.F.; Daumke, O.
  J Mol Med (Berl) (102), 1151-1161 (2024)
  DOI: 10.1007/s00109-024-02470-4
  PubMed ID: 39052065
  

• Development of novel antimicrobials with engineered endolysin LysECD7-SMAP to combat Gram-negative bacterial infections
  Vasina, D.V.; Antonova, N.P.; Gushchin, V.A.; Aleshkin, A.V.; Fursov, M.V.; Fursova, A.D.; Gancheva, P.G.; Grigoriev, I.V.; Grinkevich, P.; Kondratev, A.V.; Kostarnoy, A.V.; Lendel, A.M.; Makarov, V.V.; Nikiforova, M.A.; Pochtovyi, A.A.; Prudnikova, T.; Remizov, T.A.; Shevlyagina, N.V.; Siniavin, A.E.; Smirnova, N.S.; Terechov, A.A.; Tkachuk, A.P.; Usachev, E.V.; Vorobev, A.M.; Yakimakha, V.S.; Yudin, S.M.; Zackharova, A.A.; Zhukhovitsky, V.G.; Logunov, D.Y.; Gintsburg, A.L.
  J Biomed Sci (31), 75-75 (2024)
  DOI: 10.1186/s12929-024-01065-y
  PubMed ID: 39044206
  

• Structural analysis of the BisI family of modification dependent restriction endonucleases
  Szafran, K.; Rafalski, D.; Skowronek, K.; Wojciechowski, M.; Kazrani, A.A.; Gilski, M.; Xu, S.Y.; Bochtler, M.
  Nucleic Acids Res (52), 9103-9118 (2024)
  DOI: 10.1093/nar/gkae634
  PubMed ID: 39041409
  

• 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.
  Acta Crystallogr D Struct Biol (80), 605-619 (2024)
  DOI: 10.1107/S2059798324006557
  PubMed ID: 39012716
  

• 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile
  Buffa, V.; Meyners, C.; Sugiarto, W.O.; Bauder, M.; Gaali, S.; Hausch, F.
  ChemMedChem (19), e202400264-e202400264 (2024)
  DOI: 10.1002/cmdc.202400264
  PubMed ID: 38818693
  

• Cytosine analogues as DNA methyltransferase substrates
  Wojciechowski, M.; Czapinska, H.; Krwawicz, J.; Rafalski, D.; Bochtler, M.
  Nucleic Acids Res (52), 9267-9281 (2024)
  DOI: 10.1093/nar/gkae568
  PubMed ID: 38966999
  

• Coupling CO2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis
  Ruickoldt, J.; Jeoung, J.H.; Rudolph, M.A.; Lennartz, F.; Kreibich, J.; Schomacker, R.; Dobbek, H.
  Angew Chem Int Ed Engl, e202405120-e202405120 (2024)
  DOI: 10.1002/anie.202405120
  PubMed ID: 38743001
  

• Structural characterization of the (deoxy)hypusination in Trichomonas vaginalis questions the bifunctionality of deoxyhypusine synthase
  Wator, E.; Wilk, P.; Kochanowski, P.; Grudnik, P.
  FEBS J (291), 3856-3869 (2024)
  DOI: 10.1111/febs.17207
  PubMed ID: 38923395
  

• 7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase
  Brenner, M.; Zink, C.; Witzinger, L.; Keller, A.; Hadamek, K.; Bothe, S.; Neuenschwander, M.; Villmann, C.; von Kries, J.P.; Schindelin, H.; Jeanclos, E.; Gohla, A.
  Elife (13) (2024)
  DOI: 10.7554/eLife.93094
  PubMed ID: 38856179
  

• Structural characterization of two prototypical repressors of SorC family reveals tetrameric assemblies on DNA and mechanism of function
  Soltysova, M.; Skerlova, J.; Pachl, P.; Skubnik, K.; Fabry, M.; Sieglova, I.; Farolfi, M.; Grishkovskaya, I.; Babiak, M.; Novacek, J.; Krasny, L.; Rezacova, P.
  Nucleic Acids Res (52), 7305-7320 (2024)
  DOI: 10.1093/nar/gkae434
  PubMed ID: 38842936
  

• The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain
  Karanth, M.N.; Kirkpatrick, J.P.; Krausze, J.; Schmelz, S.; Scrima, A.; Carlomagno, T.
  Sci Adv (10), eadm9404-eadm9404 (2024)
  DOI: 10.1126/sciadv.adm9404
  PubMed ID: 38896613
  

• Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease
  Huber, S.; Braun, N.J.; Schmacke, L.C.; Murra, R.; Bender, D.; Hildt, E.; Heine, A.; Steinmetzer, T.
  Arch Pharm (Weinheim), e2400250-e2400250 (2024)
  DOI: 10.1002/ardp.202400250
  PubMed ID: 38809037
  

• Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis
  Spiwokova, P.; Horn, M.; Fanfrlik, J.; Jilkova, A.; Fajtova, P.; Leontovyc, A.; Houstecka, R.; Bielikova, L.; Brynda, J.; Chanova, M.; Mertlikova-Kaiserova, H.; Caro-Diaz, E.J.E.; Almaliti, J.; El-Sakkary, N.; Gerwick, W.H.; Caffrey, C.R.; Mares, M.
  ACS Infect Dis (10), 1935-1948 (2024)
  DOI: 10.1021/acsinfecdis.3c00589
  PubMed ID: 38757505
  

• 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
  

• Structural and molecular insights into a bifunctional glycoside hydrolase 30 xylanase specific to glucuronoxylan
  Pentari, C.; Kosinas, C.; Nikolaivits, E.; Dimarogona, M.; Topakas, E.
  Biotechnol Bioeng (121), 2067-2078 (2024)
  DOI: 10.1002/bit.28731
  PubMed ID: 38678481
  

• What doesn't fit is made to fit: Pim-1 kinase adapts to the configuration of stilbene-based inhibitors
  Hochban, P.M.M.; Heyder, L.; Heine, A.; Diederich, W.E.
  Arch Pharm (Weinheim) (357), e2400094-e2400094 (2024)
  DOI: 10.1002/ardp.202400094
  PubMed ID: 38631036
  

• Members of the paralogous gene family 12 from the Lyme disease agent Borrelia burgdorferi are non-specific DNA-binding proteins
  Brangulis, K.; Akopjana, I.; Drunka, L.; Matisone, S.; Zelencova-Gopejenko, D.; Bhattacharya, S.; Bogans, J.; Tars, K.
  PLoS One (19), e0296127-e0296127 (2024)
  DOI: 10.1371/journal.pone.0296127
  PubMed ID: 38626020
  

• 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 (52), 4723-4738 (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 (19), e202400057-e202400057 (2024)
  DOI: 10.1002/cmdc.202400057
  PubMed ID: 38385828
  

• 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
  

• 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
  

• 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
  

• 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
  

• 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
  

• 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
  

• 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
  

• 1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists
  van der Straat, R.; Draijer, R.; Surmiak, E.; Butera, R.; Land, L.; Magiera-Mularz, K.; Musielak, B.; Plewka, J.; Holak, T.A.; Domling, A.
  RSC Med Chem (15), 1210-1215 (2024)
  DOI: 10.1039/d3md00746d
  PubMed ID: 38665826
  

• Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
  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.; Kaniskan, H.U.; Han, Y.; Singh, S.; Gorgulla, C.; Kundaje, A.; Jin, J.; Voelz, V.A.; Weber, J.; Nencka, R.; Boura, E.; Vedadi, M.; Aspuru-Guzik, A.
  Digit Discov (2024)
  DOI: 10.1039/D4DD00006D
  

• 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