HZB-MX related Publications and Structures

This page lists 1582 publications with direct reference to 4216 PDB structures (out of 5108 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

• Structural characterization and inhibition of carbonic anhydrase from Candida parapsilosis
  Dostal, J.; Uhrova, Z.; Skrlova, M.; Machacek, S.; Clarova, K.; Lepsik, M.; Bulvas, O.; Vrabel, M.; Heidingsfeld, O.; Pichova, I.
  J Struct Biol X (12), 100140-100140 (2025)
  DOI: 10.1016/j.yjsbx.2025.100140
  PubMed ID: 41321686
  

• Linker Modification Enables Control of Key Functional Group Orientation in Macrocycles
  Brudy, C.; Ruijsenaars, E.; Meyners, C.; Sugiarto, W.O.; Achaq, H.; Spiske, M.; Buffa, V.; Springer, M.; Repity, M.; Weller, A.; Haferkamp, U.; Pless, O.; Muschong, P.; Miltner, D.; Mezler, M.; Schmidt, M.V.; Riniker, S.; Hausch, F.
  J Med Chem (68), 24890-24923 (2025)
  DOI: 10.1021/acs.jmedchem.5c00958
  PubMed ID: 41273793
  

• Calcium Competitive Inhibition of Langerin by Thiazolopyrimidinones
  Ning, Y.; Efrem, N.L.; Amoussa, M.; Turhan, E.; Zheng, D.; Lefebre, J.; Ruwolt, M.; Neu, U.; Besch, M.; Loll, B.; Kurzbach, D.; Kohnke, J.; Nazare, M.; Rademacher, C.
  J Med Chem (68), 24924-24934 (2025)
  DOI: 10.1021/acs.jmedchem.5c01756
  PubMed ID: 41261040
  

• Polo-like kinase 1-inhibitor co-complex structures via the surface-entropy reduction approach and a DARPin-assisted approach
  Eberspaecher, U.; Schmitz, A.A.; Siemeister, G.; Bomer, U.; Bandeiras, T.M.; Matias, P.M.; Schulze, V.K.; Hillig, R.C.
  Acta Crystallogr D Struct Biol (81), 718-733 (2025)
  DOI: 10.1107/S2059798325009325
  PubMed ID: 41246821
  

• N -Aryl- N -Lactosylamides as Potent and Highly Selective Inhibitors of Galectin-3 with Antifibrotic Activity
  Zyka, J.; Kozak, J.; Vanekova, L.; Pimkova Polidarova, M.; Prouza, V.; Habanova, N.; Strmen, T.; Zavrel, M.; Pachl, P.; Choutka, J.; Grantz Saskova, K.; Brazdova, A.; Parkan, K.; Pohl, R.
  J Med Chem (68), 24624-24648 (2025)
  DOI: 10.1021/acs.jmedchem.5c02604
  PubMed ID: 41217252
  

• Accelerated In Silico Discovery of SGR-1505 : A Potent MALT1 Allosteric Inhibitor for the Treatment of Mature B-Cell Malignancies
  Nie, Z.; Trzoss, M.; Placzek, A.T.; Trzoss, L.; Krilov, G.; Feng, S.; Lawrenz, M.; Ye, M.; Marshall, N.; Dingley, K.H.; Pelletier, R.D.; Lai, W.G.; Bell, J.A.; Tang, H.; Devine, P.; Liu, Z.; Skrdla, P.; Shimanovich, R.; Liu, M.; Wang, R.; Xu, X.; Bhat, S.; Bos, P.H.; Abel, R.; Akinsanya, K.; Yin, W.
  J Med Chem (68), 23977-23992 (2025)
  DOI: 10.1021/acs.jmedchem.5c01494
  PubMed ID: 41078320
  

• Crystallographic fragment screening against SARS-CoV-2 nonstructural protein 1 using the F2X-Entry Screen and a newly developed fragment library
  Lennartz, F.; Wollenhaupt, J.; Oelker, M.; Froling, P.; Mueller, U.; Deckers, A.; Grathwol, C.; Brase, S.; Jung, N.; Weiss, M.S.
  Acta Crystallogr D Struct Biol (81), 630-645 (2025)
  DOI: 10.1107/S2059798325008563
  PubMed ID: 41081353
  

• The initial dynamics of product release in terpene synthases-The case of CotB2
  Gupta, P.K.; Helmer, C.P.O.; Ringel, M.; Loll, B.; Bruck, T.; Major, D.T.
  Protein Sci (34), e70312-e70312 (2025)
  DOI: 10.1002/pro.70312
  PubMed ID: 40990851
  

• Naphthyridine carbamate dimer ligand induces formation of Z-RNA-like fold of disease-related RNA and exhibits a molecular glue characteristics in crystal lattice formation
  Mateja-Pluta, M.; Blaszczyk, L.; Bejger, M.; Nakatani, K.; Kiliszek, A.
  Nucleic Acids Res (53) (2025)
  DOI: 10.1093/nar/gkaf924
  PubMed ID: 40966516
  

• Harnessing free energy calculations for kinome-wide selectivity in drug discovery campaigns with a Wee1 case study
  Knight, J.L.; Clark, A.J.; Wang, J.; Placzek, A.; Bos, P.H.; Bhat, S.; Bell, J.A.; Silvergleid, S.; Yin, W.; Gray, F.; Sun, S.; Akinsanya, K.; Abel, R.; Gerasyuto, A.I.
  Nat Commun (16), 7962-7962 (2025)
  DOI: 10.1038/s41467-025-62722-w
  PubMed ID: 40858617
  

• Di- meta -Substituted Fluorinated Benzenesulfonamides as Potent and Selective Anticancer Inhibitors of Carbonic Anhydrase IX and XII
  Vaskevicius, A.; Zvirblis, M.; Kurtenoka, M.; Leitans, J.; Manakova, E.; Paketuryte-Latve, V.; Kvietkauskaite, A.; Kazaks, A.; Eimonta, V.; Cerepenkaite, K.; Kazokaite-Adomaitiene, J.; Mickeviciu?te, A.; Juozapaitiene, V.; Tars, K.; Grazulis, S.; Matuliene, J.; Dudutiene, V.; Shubin, K.; Matulis, D.; Zubriene, A.
  J Med Chem (68), 18389-18406 (2025)
  DOI: 10.1021/acs.jmedchem.5c01142
  PubMed ID: 40833423
  

• Affinity and Selectivity of Protein-Ligand Recognition: A Minor Chemical Modification Changes Carbonic Anhydrase Binding Profile
  Zaksauskas, A.; Paketuryte-Latve, V.; Jankunaite, A.; Capkauskaite, E.; Becart, Y.; Smirnov, A.; Pospisilova, K.; Leitans, J.; Brynda, J.; Kazaks, A.; Baranauskiene, L.; Manakova, E.; Grazulis, S.; Kairys, V.; Tars, K.; Rezacova, P.; Matulis, D.
  J Med Chem (68), 17752-17773 (2025)
  DOI: 10.1021/acs.jmedchem.5c01421
  PubMed ID: 40801814
  

• Ni,Fe-CODH : Ti(III)-reduced pH 8.0
  Basak, Y.; Jeoung, J.-H.; Dobbek, H.
  Nature Catalysis (2025)
  DOI: 10.1038/s41929-025-01388-5
  

• The anabolic steroid stanozolol is a potent inhibitor of human MutT homolog 1
  Scaletti Hutchinson, E.; Gustafsson Westergren, R.; Almlof, I.; Jemth, A.S.; Scobie, M.; Warpman Berglund, U.; Helleday, T.; Stenmark, P.
  FEBS Lett (599), 2790-2801 (2025)
  DOI: 10.1002/1873-3468.70116
  PubMed ID: 40878820
  

• Molecular basis for the interactions of eIF2 beta with eIF5, eIF2B, and 5MP1 and their regulation by CK2
  Wagner, P.A.; Song, M.; Doran, P.; Seker, A.; Ficner, R.; Kuhle, B.; Marintchev, A.
  RNA (31), 1419-1435 (2025)
  DOI: 10.1261/rna.080652.125
  PubMed ID: 40670154
  

• Redirecting the Peptide Cleavage Causes Protease Inactivation
  Breuer, C.; Kuppers, J.; Schulz-Fincke, A.C.; Heilos, A.; Lemke, C.; Spiwokova, P.; Schmitz, J.; Cremer, L.; Frigole-Vivas, M.; Lulsdorff, M.; Mertens, M.D.; Wichterle, F.; Apeltauer, M.; Horn, M.; Gilberg, E.; Furtmann, N.; Bajorath, J.; Bartz, U.; Engels, B.; Mares, M.; Gutschow, M.
  Angew Chem Int Ed Engl (64), e202506832-e202506832 (2025)
  DOI: 10.1002/anie.202506832
  PubMed ID: 40394881
  

• Crystallographic Structure of Human Dihydroorotate Dehydrogenase in Complex with the Natural Product Inhibitor Lapachol
  Purificacao, A.D.; Benz, L.S.; Lima Silva, W.J.; Emery, F.S.; Andrade, C.H.; Weiss, M.S.; Nonato, M.C.
  ACS Omega (10), 29087-29097 (2025)
  DOI: 10.1021/acsomega.5c01536
  PubMed ID: 40686985
  

• Pr and Pfr structures of plant phytochrome A
  Nagano, S.; von Stetten, D.; Guan, K.; Chen, P.Y.; Song, C.; Barends, T.; Weiss, M.S.; Feiler, C.G.; Dorner, K.; de Diego Martinez, I.; Schubert, R.; Bielecki, J.; Brings, L.; Han, H.; Kharitonov, K.; Kim, C.; Kloos, M.; Koliyadu, J.C.P.; Koua, F.H.M.; Round, E.; Sarma, A.; Sato, T.; Schmidt, C.; Valerio, J.; Wrona, A.; Schulz, J.; de Wijn, R.; Letrun, R.; Bean, R.; Mancuso, A.; Heyne, K.; Hughes, J.
  Nat Commun (16), 5319-5319 (2025)
  DOI: 10.1038/s41467-025-60738-w
  PubMed ID: 40544164
  

• Structural Basis of Regioselective Bromination of Tricyclic Tryptoline by the Tryptophan Halogenase Thal
  Bork, S.; Besse, C.; Sewald, N.; Niemann, H.H.
  Chembiochem (26), e202500246-e202500246 (2025)
  DOI: 10.1002/cbic.202500246
  PubMed ID: 40407410
  

• Botulinum neurotoxin A mutants with enhanced ganglioside binding show improved potency and altered ganglioside selectivity
  Masuyer, G.; Rummel, A.; Stenmark, P.
  Commun Chem (8), 171-171 (2025)
  DOI: 10.1038/s42004-025-01569-0
  PubMed ID: 40467754
  

• The insight into the biology of five homologous lectins produced by the entomopathogenic bacterium and nematode symbiont Photorhabdus laumondii
  Paulenova, E.; Dobes, P.; Melicher, F.; Houser, J.; Faltinek, L.; Hyrsl, P.; Wimmerova, M.
  Glycobiology (35) (2025)
  DOI: 10.1093/glycob/cwaf033
  PubMed ID: 40459235
  

• Selectivity and Safety Characterization of a Xanthine-Imidazothiazole Lead Structure: a Novel Tryptophan Hydroxylase Inhibitor of Peripheral Serotonin Synthesis
  Wesolowski, R.; Schutz, A.; Lisurek, M.; Nazare, M.; Heinemann, U.; Pleimes, D.; Bader, M.; Specker, E.
  Acs Pharmacol Transl Sci (8), 1678-1693 (2025)
  DOI: 10.1021/acsptsci.5c00043
  PubMed ID: 40534674
  

• Crystal structure of ATP-dependent DNA ligase from Rhizobium phage vB_RleM_P10VF
  Rothweiler, U.; Leiros, H.K.S.; Williamson, A.
  Acta Crystallogr F Struct Biol Commun (81), 249-254 (2025)
  DOI: 10.1107/S2053230X2500411X
  PubMed ID: 40365832
  

• Next-generation small molecule inhibitors of clathrin function acutely inhibit endocytosis
  Horatscheck, A.; Krauss, M.; Bulut, H.; Chambon, V.; Zadah, M.S.; Dransart, E.; Peloza, K.; Santos, K.F.; Robertson, M.J.; Prichard, K.; Miksche, S.; Radetzki, S.; von Kries, J.P.; Wahl, M.C.; McCluskey, A.; Johannes, L.; Haucke, V.; Nazare, M.
  Structure (33), 878 (2025)
  DOI: 10.1016/j.str.2025.02.011
  PubMed ID: 40112806
  

• Structures of alpha-galactosaminidases from the CAZy GH114 family and homologs defining a new GH191 family of glycosidases
  Roth, C.; Moroz, O.V.; Miranda, S.A.D.; Jahn, L.; Blagova, E.V.; Lebedev, A.A.; Segura, D.R.; Stringer, M.A.; Friis, E.P.; Franco Cairo, J.P.L.; Davies, G.J.; Wilson, K.S.
  Acta Crystallogr D Struct Biol (81), 234-251 (2025)
  DOI: 10.1107/S2059798325002864
  PubMed ID: 40232846
  

• Mechanistic insights into the structure-based design of a CspZ-targeting Lyme disease vaccine
  Brangulis, K.; Malfetano, J.; Marcinkiewicz, A.L.; Wang, A.; Chen, Y.L.; Lee, J.; Liu, Z.; Yang, X.; Strych, U.; Tupina, D.; Akopjana, I.; Bottazzi, M.E.; Pal, U.; Hsieh, C.L.; Chen, W.H.; Lin, Y.P.
  Nat Commun (16), 2898-2898 (2025)
  DOI: 10.1038/s41467-025-58182-x
  PubMed ID: 40189575
  

• Probing the structure and thermodynamics of a multidomain psychrophilic chitinase from Moritella marina
  Bejger, M.; Malecki, P.H.; Biniek-Antosiak, K.; Rypniewski, W.
  J Struct Biol (218), 108282-108282 (2025)
  DOI: 10.1016/j.jsb.2025.108282
  PubMed ID: 41456759
  

• Crystal structure and biochemical analysis of the dimeric transaminase DoeD provides insights into ectoine degradation
  Skogvold, A.C.A.; Brakestad, H.T.; Erlandsen, H.; Leiros, I.
  FEBS J (292), 2918-2934 (2025)
  DOI: 10.1111/febs.70043
  PubMed ID: 40014458
  

• Integrated Study of Fluorescence Enhancement in the Y176H Variant of Cyanobacterial Phytochrome Cph1
  Nagano, S.; Song, C.; Rohr, V.; Mackintosh, M.J.; Hoang, O.T.; Kraskov, A.; Yang, Y.; Hughes, J.; Heyne, K.; Mroginski, M.A.; Schapiro, I.; Hildebrandt, P.
  Biochemistry (64), 1348-1358 (2025)
  DOI: 10.1021/acs.biochem.4c00687
  PubMed ID: 40015976
  

• Structure-Activity Relationships and Biological Insights into PSMA-617 and Its Derivatives with Modified Lipophilic Linker Regions
  Schafer, M.; Bauder-Wust, U.; Roscher, M.; Motlova, L.; Kutilova, Z.; Remde, Y.; Klika, K.D.; Graf, J.; Barinka, C.; Benesova-Schafer, M.
  ACS Omega (10), 7077-7090 (2025)
  DOI: 10.1021/acsomega.4c10142
  PubMed ID: 40028088
  

• Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles
  Buffa, V.; Walz, C.; Meyners, C.; Zheng, M.; Oki Sugiarto, W.; Repity, M.; Achaq, H.; Brudy, C.; Spiske, M.; Cica, M.; Hausch, F.
  Angew Chem Int Ed Engl (64), e202418512-e202418512 (2025)
  DOI: 10.1002/anie.202418512
  PubMed ID: 39749563
  

• Structure-Guided Engineering of a Versatile Urethanase Improves Its Polyurethane Depolymerization Activity
  Li, Z.; Han, X.; Cong, L.; Singh, P.; Paiva, P.; Branson, Y.; Li, W.; Chen, Y.; Jaradat, D.M.M.; Lennartz, F.; Bayer, T.; Schmidt, L.; Garscha, U.; You, S.; Fernandes, P.A.; Ramos, M.J.; Bornscheuer, U.T.; Weber, G.; Wei, R.; Liu, W.
  Adv Sci (Weinh) (12), e2416019-e2416019 (2025)
  DOI: 10.1002/advs.202416019
  PubMed ID: 39921299
  

• Conformationally Restricted Macrocycles as Improved FKBP51 Inhibitors Enabled by Systematic Linker Derivatization
  Spiske, M.; Meyners, C.; Bauder, M.; Repity, M.; Brudy, C.; Sugiarto, W.O.; Achaq, H.; Geiger, T.M.; Hausch, F.
  Angew Chem Int Ed Engl (64), e202418511-e202418511 (2025)
  DOI: 10.1002/anie.202418511
  PubMed ID: 39752587
  

• From fragments to follow-ups: rapid hit expansion by making use of EU-OPENSCREEN resources
  Benz, L.S.; Wollenhaupt, J.; Jirgensons, A.; Miletic, T.; Mueller, U.; Weiss, M.S.
  RSC Med Chem (16), 6190-6203 (2025)
  DOI: 10.1039/d5md00684h
  PubMed ID: 41132859
  

• Extending the chemical space of glutarimide-based cereblon ligands through an efficient Rh(II)-catalyzed X-H insertion reaction
  Levashova, E.; Bischof, L.; Bunev, A.; Sapegin, A.; Grygor'eva, O.; Kudinov, A.; Ebeling, S.; Tatarinov, I.; Dar'in, D.; Kantin, G.; Hartmann, M.D.; Kalinin, S.
  Eur J Med Chem (301), 118235-118235 (2025)
  DOI: 10.1016/j.ejmech.2025.118235
  PubMed ID: 41086529
  

• Using environment-sensitive tetramethylated thiophene-BODIPY fluorophores in DNA probes for studying effector-induced conformational changes of protein-DNA complexes
  Soltysova, M.; Guixens-Gallardo, P.; Sieglova, I.; Soldanova, A.; Krejcirikova, V.; Fabry, M.; Brynda, J.; Khoroshyy, P.; Hocek, M.; Rezacova, P.
  RSC Chem Biol (6), 376-386 (2025)
  DOI: 10.1039/d4cb00260a
  PubMed ID: 39822774
  

• Beyond natural flavonoids: exploring bioisosterism in design and synthesis of influenza endonuclease inhibitors
  Reiberger, R.; Kral, M.; Radilova, K.; Kotacka, T.; Dracinsky, M.; Tsalyy, A.; Brynda, J.; Majer, P.; Konvalinka, J.; Kozisek, M.; Machara, A.
  RSC Med Chem (2025)
  DOI: 10.1039/d5md00071h
  PubMed ID: 40510903
  

• 3'-Dehydroxypurpurogallin-4-Carboxamides as Influenza A Endonuclease Inhibitors: Synthesis, Structure-Activity Relationship Analysis, and Structural Characterization of Protein Complex
  Kral, M.; Kotacka, T.; Reiberger, R.; Panyrkova, G.; Radilova, K.; Osifova, Z.; Flieger, M.; Konvalinka, J.; Majer, P.; Kozisek, M.; Machara, A.
  ChemMedChem (20), e202400577-e202400577 (2025)
  DOI: 10.1002/cmdc.202400577
  PubMed ID: 39400442
  

• 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 (292), 129-152 (2025)
  DOI: 10.1111/febs.17265
  PubMed ID: 39361520