HZB-MX related Publications and Structures

This page lists 1434 publications with direct reference to 3382 PDB structures (out of 4172 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

• Nanobody inhibitors of Plexin-B1 identify allostery in plexin-semaphorin interactions and signaling
  Cowan, R.; Trokter, M.; Oleksy, A.; Fedorova, M.; Sawmynaden, K.; Worzfeld, T.; Offermanns, S.; Matthews, D.; Carr, M.D.; Hall, G.
  J Biol Chem (299), 104740-104740 (2023)
  DOI: 10.1016/j.jbc.2023.104740
  PubMed ID: 37088134
  

• MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange
  Abualrous, E.T.; Stolzenberg, S.; Sticht, J.; Wieczorek, M.; Roske, Y.; Gunther, M.; Dahn, S.; Boesen, B.B.; Calvo, M.M.; Biese, C.; Kuppler, F.; Medina-Garcia, A.; Alvaro-Benito, M.; Hofer, T.; Noe, F.; Freund, C.
  Nat Chem Biol (2023)
  DOI: 10.1038/s41589-023-01316-3
  PubMed ID: 37142807
  

• Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors
  Skacel, J.; Djukic, S.; Baszczynski, O.; Kalcic, F.; Bilek, T.; Chalupsky, K.; Kozak, J.; Dvorakova, A.; Tloust'ova, E.; Kral'ova, Z.; Smidkova, M.; Voldrich, J.; Rumlova, M.; Pachl, P.; Brynda, J.; Vuckova, T.; Fabry, M.; Snasel, J.; Pichova, I.; Rezacova, P.; Mertlikova-Kaiserova, H.; Janeba, Z.
  J Med Chem (2023)
  DOI: 10.1021/acs.jmedchem.2c02097
  PubMed ID: 37134237
  

• Characterization of new highly selective pyrazolo[4,3-d]pyrimidine inhibitor of CDK7
  Kovalova, M.; Havlicek, L.; Djukic, S.; Skerlova, J.; Perina, M.; Pospisil, T.; Reznickova, E.; Rezacova, P.; Jorda, R.; Krystof, V.
  Biomed Pharmacother (161), 114492-114492 (2023)
  DOI: 10.1016/j.biopha.2023.114492
  PubMed ID: 36931035
  

• Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2
  Vester, K.; Metz, A.; Huber, S.; Loll, B.; Wahl, M.C.
  Acta Crystallogr D Struct Biol (79), 304-317 (2023)
  DOI: 10.1107/S2059798323001778
  PubMed ID: 36974964
  

• Conformational transition of the Ixodes ricinus salivary serpin Iripin-4
  Kascakova, B.; Kotal, J.; Havlickova, P.; Vopatkova, V.; Prudnikova, T.; Grinkevich, P.; Kuty, M.; Chmelar, J.; Kuta Smatanova, I.
  Acta Crystallogr D Struct Biol (79), 409-419 (2023)
  DOI: 10.1107/S2059798323002322
  PubMed ID: 37092969
  

• Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase
  Silhan, J.; Klima, M.; Otava, T.; Skvara, P.; Chalupska, D.; Chalupsky, K.; Kozic, J.; Nencka, R.; Boura, E.
  Nat Commun (14), 2259-2259 (2023)
  DOI: 10.1038/s41467-023-38019-1
  PubMed ID: 37080993
  

• TapA acts as specific chaperone in TasA filament formation by strand complementation
  Roske, Y.; Lindemann, F.; Diehl, A.; Cremer, N.; Higman, V.A.; Schlegel, B.; Leidert, M.; Driller, K.; Turgay, K.; Schmieder, P.; Heinemann, U.; Oschkinat, H.
  Proc Natl Acad Sci U S A (120), e2217070120-e2217070120 (2023)
  DOI: 10.1073/pnas.2217070120
  PubMed ID: 37068239
  

• Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation
  Sun, S.; Fushimi, M.; Rossetti, T.; Kaur, N.; Ferreira, J.; Miller, M.; Quast, J.; van den Heuvel, J.; Steegborn, C.; Levin, L.R.; Buck, J.; Myers, R.W.; Kargman, S.; Liverton, N.; Meinke, P.T.; Huggins, D.J.
  J Chem Inf Model (63), 2828-2841 (2023)
  DOI: 10.1021/acs.jcim.2c01577
  PubMed ID: 37060320
  

• Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51
  Knaup, F.H.; Meyners, C.; Sugiarto, W.O.; Wedel, S.; Springer, M.; Walz, C.; Geiger, T.M.; Schmidt, M.; Sisignano, M.; Hausch, F.
  J Med Chem (66), 5965-5980 (2023)
  DOI: 10.1021/acs.jmedchem.3c00249
  PubMed ID: 37058391
  

• RNA Encapsulation Mode and Evolutionary Insights from the Crystal Structure of Emaravirus Nucleoprotein
  Izhaki-Tavor, L.S.; Yechezkel, I.G.; Alter, J.; Dessau, M.
  Microbiol Spectr, e0501822-e0501822 (2023)
  DOI: 10.1128/spectrum.05018-22
  PubMed ID: 37039649
  

• BopN is a Gatekeeper of the Bordetella Type III Secretion System
  Navarrete, K.M.; Bumba, L.; Prudnikova, T.; Malcova, I.; Allsop, T.R.; Sebo, P.; Kamanova, J.
  Microbiol Spectr, e0411222-e0411222 (2023)
  DOI: 10.1128/spectrum.04112-22
  PubMed ID: 37036369
  

• Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein
  Adolph, R.S.; Beck, E.; Schweimer, K.; Di Fonzo, A.; Weyand, M.; Rosch, P.; Wohrl, B.M.; Steegborn, C.
  Life (Basel) (13) (2023)
  DOI: 10.3390/life13040949
  PubMed ID: 37109478
  

• Biochemical and structural characterisation of a family GH5 cellulase from endosymbiont of shipworm P. megotara
  Junghare, M.; Manavalan, T.; Fredriksen, L.; Leiros, I.; Altermark, B.; Eijsink, V.G.H.; Vaaje-Kolstad, G.
  Biotechnol Biofuels Bioprod (16), 61-61 (2023)
  DOI: 10.1186/s13068-023-02307-1
  PubMed ID: 37016457
  

• Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders
  Wator, E.; Wilk, P.; Biela, A.; Rawski, M.; Zak, K.M.; Steinchen, W.; Bange, G.; Glatt, S.; Grudnik, P.
  Nat Commun (14), 1698-1698 (2023)
  DOI: 10.1038/s41467-023-37305-2
  PubMed ID: 36973244
  

• Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor
  Troster, A.; DiPrima, M.; Jores, N.; Kudlinzki, D.; Sreeramulu, S.; Gande, S.L.; Linhard, V.; Ludig, D.; Schug, A.; Saxena, K.; Reinecke, M.; Heinzlmeir, S.; Leisegang, M.S.; Wollenhaupt, J.; Lennartz, F.; Weiss, M.S.; Kuster, B.; Tosato, G.; Schwalbe, H.
  Chemistry (29), e202203967-e202203967 (2023)
  DOI: 10.1002/chem.202203967
  PubMed ID: 36799129
  

• Arginase 1/2 inhibitor OATD-02: from discovery to first-in-man setup in cancer immunotherapy
  Borek, B.; Nowicka, J.; Gzik, A.; Dziegielewski, M.; Jedrzejczak, K.; Brzezinska, J.; Grzybowski, M.; Stanczak, P.; Pomper, P.; Zagozdzon, A.; Rejczak, T.; Matyszewski, K.; Golebiowski, A.; Olczak, J.; Lisiecki, K.; Tyszkiewicz, M.; Kania, M.; Piasecka, S.; Cabaj, A.; Dera, P.; Mulewski, K.; Chrzanowski, J.; Kusmirek, D.; Sobolewska, E.; Magdycz, M.; Mucha, L.; Masnyk, M.; Golab, J.; Nowotny, M.; Nowak, E.; Napiorkowska-Gromadzka, A.; Pikul, S.; Jazwiec, R.; Dzwonek, K.; Dobrzanski, P.; Meyring, M.; Skowronek, K.; Iwanowski, P.; Zaslona, Z.; Blaszczyk, R.
  Mol Cancer Ther (2023)
  DOI: 10.1158/1535-7163.MCT-22-0721
  PubMed ID: 36939275
  

• Structural and Mechanistic Studies on Substrate and Stereoselectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations
  Kratky, J.; Eggerichs, D.; Heine, T.; Hofmann, S.; Sowa, P.; Weisse, R.H.; Tischler, D.; Strater, N.
  Angew Chem Int Ed Engl (62), e202300657-e202300657 (2023)
  DOI: 10.1002/anie.202300657
  PubMed ID: 36762980
  

• VPg Impact on Ryegrass Mottle Virus Serine-like 3C Protease Proteolysis and Structure
  Kalnins, G.; Ludviga, R.; Kalnciema, I.; Resevica, G.; Zeltina, V.; Bogans, J.; Tars, K.; Zeltins, A.; Balke, I.
  Int J Mol Sci (24) (2023)
  DOI: 10.3390/ijms24065347
  PubMed ID: 36982419
  

• Structural basis of the activation of PPAR gamma by the plasticizer metabolites MEHP and MINCH
  Useini, A.; Engelberger, F.; Kunze, G.; Strater, N.
  Environ Int (173), 107822-107822 (2023)
  DOI: 10.1016/j.envint.2023.107822
  PubMed ID: 36841188
  

• Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors
  Minniberger, S.; Abdolvand, S.; Braunbeck, S.; Sun, H.; Plested, A.J.R.
  J Mol Biol (435), 167970-167970 (2023)
  DOI: 10.1016/j.jmb.2023.167970
  PubMed ID: 36682679
  

• An evolutionary molecular adaptation of an unusual stefin from the liver fluke Fasciola hepatica redefines the cystatin superfamily
  Busa, M.; Matouskova, Z.; Bartosova-Sojkova, P.; Pachl, P.; Rezacova, P.; Eichenberger, R.M.; Deplazes, P.; Horn, M.; Stefanic, S.; Mares, M.
  J Biol Chem (299), 102970-102970 (2023)
  DOI: 10.1016/j.jbc.2023.102970
  PubMed ID: 36736427
  

• Nutlin-3a-aa: Improving the Bioactivity of a p53/MDM2 Interaction Inhibitor by Introducing a Solvent-Exposed Methylene Group
  Nietzold, F.; Rubner, S.; Labuzek, B.; Golik, P.; Surmiak, E.; Del Corte, X.; Kitel, R.; Protzel, C.; Reppich-Sacher, R.; Stichel, J.; Magiera-Mularz, K.; Holak, T.A.; Berg, T.
  Chembiochem (24), e202300006-e202300006 (2023)
  DOI: 10.1002/cbic.202300006
  PubMed ID: 36602436
  

• Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel
  Schackert, F.K.; Biedermann, J.; Abdolvand, S.; Minniberger, S.; Song, C.; Plested, A.J.R.; Carloni, P.; Sun, H.
  J Chem Inf Model (63), 1293-1300 (2023)
  DOI: 10.1021/acs.jcim.2c01494
  PubMed ID: 36758214
  

• Structural and Functional Analysis of a Highly Active Designed Phosphotriesterase for the Detoxification of Organophosphate Nerve Agents Reveals an Unpredicted Conformation of the Active Site Loop
  Job, L.; Kohler, A.; Eichinger, A.; Testanera, M.; Escher, B.; Worek, F.; Skerra, A.
  Biochemistry (62), 942-955 (2023)
  DOI: 10.1021/acs.biochem.2c00666
  PubMed ID: 36752589
  

• Iripin-1, a new anti-inflammatory tick serpin, inhibits leukocyte recruitment in vivo while altering the levels of chemokines and adhesion molecules
  Chlastakova, A.; Kascakova, B.; Kotal, J.; Langhansova, H.; Kotsyfakis, M.; Kuta Smatanova, I.; Tirloni, L.; Chmelar, J.
  Front Immunol (14), 1116324-1116324 (2023)
  DOI: 10.3389/fimmu.2023.1116324
  PubMed ID: 36756125
  

• Yet Another Similarity between Mitochondrial and Bacterial Ribosomal Small Subunit Biogenesis Obtained by Structural Characterization of RbfA from S. aureus
  Bikmullin, A.G.; Fatkhullin, B.; Stetsenko, A.; Gabdulkhakov, A.; Garaeva, N.; Nurullina, L.; Klochkova, E.; Golubev, A.; Khusainov, I.; Trachtmann, N.; Blokhin, D.; Guskov, A.; Validov, S.; Usachev, K.; Yusupov, M.
  Int J Mol Sci (24) (2023)
  DOI: 10.3390/ijms24032118
  PubMed ID: 36768442
  

• Structural remodeling of AAA+ ATPase p97 by adaptor protein ASPL facilitates posttranslational methylation by METTL21D
  Petrovic, S.; Roske, Y.; Rami, B.; Phan, M.H.Q.; Panakova, D.; Heinemann, U.
  Proc Natl Acad Sci U S A (120), e2208941120-e2208941120 (2023)
  DOI: 10.1073/pnas.2208941120
  PubMed ID: 36656859
  

• Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins
  Talaj, J.A.; Zielinski, K.; Bujacz, A.
  Int J Mol Sci (24) (2023)
  DOI: 10.3390/ijms24021534
  PubMed ID: 36675044
  

• The homeodomain of Oct4 is a dimeric binder of methylated CpG elements
  Tan, D.S.; Cheung, S.L.; Gao, Y.; Weinbuch, M.; Hu, H.; Shi, L.; Ti, S.C.; Hutchins, A.P.; Cojocaru, V.; Jauch, R.
  Nucleic Acids Res (51), 1120-1138 (2023)
  DOI: 10.1093/nar/gkac1262
  PubMed ID: 36631980
  

• Structure, Mutagenesis, and QM:MM Modeling of 3-Ketosteroid Delta 1 -Dehydrogenase from Sterolibacterium denitrificans ?The Role of a New Putative Membrane-Associated Domain and Proton-Relay System in Catalysis
  Wojcik, P.; Glanowski, M.; Mrugala, B.; Procner, M.; Zastawny, O.; Flejszar, M.; Kurpiewska, K.; Niedzialkowska, E.; Minor, W.; Oszajca, M.; Bojarski, A.J.; Wojtkiewicz, A.M.; Szaleniec, M.
  Biochemistry (62), 808-823 (2023)
  DOI: 10.1021/acs.biochem.2c00576
  PubMed ID: 36625854
  

• B-H? pi and C-H? pi interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides
  Fanfrlik, J.; Brynda, J.; Kugler, M.; Lepsik, M.; Pospisilova, K.; Holub, J.; Hnyk, D.; Nekvinda, J.; Gruner, B.; Rezacova, P.
  Phys Chem Chem Phys (25), 1728-1733 (2023)
  DOI: 10.1039/d2cp04673c
  PubMed ID: 36594655
  

• Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase
  Heyder, L.; Hochban, P.M.M.; Taylor, C.; Chevillard, F.; Siefker, C.; Iking, C.; Borchardt, H.; Aigner, A.; Klebe, G.; Heine, A.; Kolb, P.; Diederich, W.E.
  Eur J Med Chem (245), 114914-114914 (2023)
  DOI: 10.1016/j.ejmech.2022.114914
  PubMed ID: 36410167
  

• Structural and biochemical analysis of a novel atypically split intein reveals a conserved histidine specific to cysteine-less inteins
  Pasch, T.; Schroder, A.; Kattelmann, S.; Eisenstein, M.; Pietrokovski, S.; Kummel, D.; Mootz, H.D.
  Chem Sci (14), 5204-5213 (2023)
  DOI: 10.1039/d3sc01200j
  PubMed ID: 37206380
  

• Structures of permuted halves of a modern ribose-binding protein
  Michel, F.; Shanmugaratnam, S.; Romero-Romero, S.; Hocker, B.
  Acta Crystallogr D Struct Biol (79), 40-49 (2023)
  DOI: 10.1107/S205979832201186X
  PubMed ID: 36601806
  

• Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study
  Kugler, M.; Hadzima, M.; Dzijak, R.; Rampmaier, R.; Srb, P.; Vrzal, L.; Voburka, Z.; Majer, P.; Rezacova, P.; Vrabel, M.
  RSC Med Chem (14), 144-153 (2023)
  DOI: 10.1039/d2md00330a
  PubMed ID: 36760748
  

• X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis
  Marinovic, M.A.; Bekic, S.S.; Kugler, M.; Brynda, J.; Skerlova, J.; Skoric, D.D.; Rezacova, P.; Petri, E.T.; Celic, A.S.
  RSC Med Chem (14), 341-355 (2023)
  DOI: 10.1039/d2md00387b
  PubMed ID: 36846371
  

• The MECP2-TRD domain interacts with the DNMT3A-ADD domain at the H3-tail binding site
  Kunert, S.; Linhard, V.; Weirich, S.; Choudalakis, M.; Osswald, F.; Kramer, L.; Kohler, A.R.; Brohm, A.; Wollenhaupt, J.; Schwalbe, H.; Jeltsch, A.
  Protein Sci (32), e4542-e4542 (2023)
  DOI: 10.1002/pro.4542
  PubMed ID: 36519786
  

• Thermodynamic characterization of a macrocyclic Zika virus NS2B/NS3 protease inhibitor and its acyclic analogs
  Hammerschmidt, S.J.; Huber, S.; Braun, N.J.; Lander, M.; Steinmetzer, T.; Kersten, C.
  Arch Pharm (Weinheim) (356), e2200518-e2200518 (2023)
  DOI: 10.1002/ardp.202200518
  PubMed ID: 36480352
  

• Enzymatic Late-Stage Halogenation of Peptides
  Schnepel, C.; Moritzer, A.C.; Gafe, S.; Montua, N.; Minges, H.; Niess, A.; Niemann, H.H.; Sewald, N.
  Chembiochem (24), e202200569-e202200569 (2023)
  DOI: 10.1002/cbic.202200569
  PubMed ID: 36259362
  

• Boroleucine-Derived Covalent Inhibitors of the ZIKV Protease
  Braun, N.J.; Huber, S.; Schmacke, L.C.; Heine, A.; Steinmetzer, T.
  ChemMedChem (18), e202200336-e202200336 (2023)
  DOI: 10.1002/cmdc.202200336
  PubMed ID: 36325810
  

• Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha
  Lo, W.T.; Belabed, H.; Kucukdisli, M.; Metag, J.; Roske, Y.; Prokofeva, P.; Ohashi, Y.; Horatscheck, A.; Cirillo, D.; Krauss, M.; Schmied, C.; Neuenschwander, M.; von Kries, J.P.; Medard, G.; Kuster, B.; Perisic, O.; Williams, R.L.; Daumke, O.; Payrastre, B.; Severin, S.; Nazare, M.; Haucke, V.
  Nat Chem Biol (19), 18-27 (2023)
  DOI: 10.1038/s41589-022-01118-z
  PubMed ID: 36109648