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UniSysCat Publications

  • The [ ‐ ] cluster of mitochondrial outer membrane protein has an ‐regulated nitric oxide access tunnel, T. N. Hoang, M. Wu‐Lu, A. Collauto, P. Hagedoorn, M. Alexandru, M. Henschel, S. Kordasti, M. A. Mroginski, M. M. Roessler, K. H. Ebrahimi, FEBS letters 2025, 10.1002/1873-3468.15097
  • Coupling of the Catalytic Reactions of Formate Dehydrogenase and Hydrogenase in Solution: Insights from in situ IR Spectroscopy and Computations, A. F. T. Waffo, M. Wu‐Lu, S. Katz, S. Frielingsdorf, B. R. Duffus, J. Liedtke, S. Leimkühler, O. Lenz, K. Laun, M. A. Mroginski, I. Zebger, ChemCatChem 2024, 10.1002/cctc.202400794
  • A Strep‐Tag Imprinted Polymer Platform for Heterogenous Bio(electro)catalysis, A. Yarman, A. F. T. Waffo, S. Katz, C. Bernitzky, N. Kovács, P. Borrero, S. Frielingsdorf, E. Supala, J. Dragelj, S. Kurbanoglu, B. Neumann, O. Lenz, M. A. Mroginski, R. E. Gyurcsányi, U. Wollenberger, F. W. Scheller, G. Caserta, I. Zebger, Angewandte Chemie International Edition 2024, 10.1002/anie.202408979
  • ATP-Triggered Fe(CN) CO Synthon Transfer from the Maturase HypCD to the Active Site of Apo-[NiFe]-Hydrogenase, A. Kwiatkowski, G. Caserta, A. C. Schulz, S. Frielingsdorf, V. Pelmenschikov, K. Weisser, A. Belsom, J. Rappsilber, I. Sergueev, C. Limberg, M. A. Mroginski, I. Zebger, O. Lenz, Journal of the American Chemical Society 2024, 10.1021/jacs.4c09791
  • Cation Dependence of Enniatin B/Membrane‐Interactions Assessed Using Surface‐Enhanced Infrared Absorption (SEIRA) Spectroscopy, B. D. Gonzalez, E. Forbrig, G. Yao, P. Kielb, M. A. Mroginski, P. Hildebrandt, J. Kozuch, ChemPlusChem 2024, 89, 10.1002/cplu.202400159
  • Eine Strep‐Tag‐geprägte Polymer‐Plattform für die heterogene Bio(elektro)katalyse, A. Yarman, A. F. T. Waffo, S. Katz, C. Bernitzky, N. Kovács, P. Borrero, S. Frielingsdorf, E. Supala, J. Dragelj, S. Kurbanoglu, B. Neumann, O. Lenz, M. A. Mroginski, R. E. Gyurcsányi, U. Wollenberger, F. W. Scheller, G. Caserta, I. Zebger, Angewandte Chemie 2024, 136, 10.1002/ange.202408979
  • Hydrogen Bonding and Noncovalent Electric Field Effects in the Photoconversion of a Phytochrome, A. D. Nguyen, N. Michael, L. Sauthof, J. von Sass, O. T. Hoang, A. Schmidt, M. La Greca, R. Schlesinger, N. Budisa, P. Scheerer, M. A. Mroginski, A. Kraskov, P. Hildebrandt, The Journal of Physical Chemistry B 2024, 128, 11644–11657, 10.1021/acs.jpcb.4c06419
  • Conformational and mechanical stability of the isolated large subunit of membrane-bound [NiFe]-hydrogenase from Cupriavidus necator, J. Dragelj, C. Karafoulidi-Retsou, S. Katz, O. Lenz, I. Zebger, G. Caserta, S. Sacquin-Mora, M. A. Mroginski, Frontiers in Microbiology 2023, 13, 10.3389/fmicb.2022.1073315
  • Multi-structural molecular docking (MOD) combined with molecular dynamics reveal the structural requirements of designing broad-spectrum inhibitors of SARS-CoV-2 entry to host cells, A. Da, M. Wu-Lu, J. Dragelj, M. A. Mroginski, K. H. Ebrahimi, Scientific Reports 2023, 13, 16387–0, 10.1038/s41598-023-42015-2
  • Ultrafast proton-coupled isomerization in the phototransformation of phytochrome, Y. Yang, T. Stensitzki, L. Sauthof, A. Schmidt, P. Piwowarski, F. Velazquez Escobar, N. Michael, A. D. Nguyen, M. Szczepek, F. N. Brünig, R. R. Netz, M. A. Mroginski, S. Adam, F. Bartl, I. Schapiro, P. Hildebrandt, P. Scheerer, K. Heyne, Nature Chemistry 2022, 14, 823–830, 10.1038/s41557-022-00944-x
  • Infrared Spectroscopy Elucidates the Inhibitor Binding Sites in a Metal‐Dependent Formate Dehydrogenase, K. Laun, B. R. Duffus, S. Wahlefeld, S. Katz, D. Belger, P. Hildebrandt, M. A. Mroginski, S. Leimkühler, I. Zebger, Chemistry – A European Journal 2022, 28, 10.1002/chem.202201091
  • Structural and electronic properties of the active site of [ZnFe] SulE, S. Moubarak, Y. Rippers, N. Elghobashi-Meinhardt, M. A. Mroginski, Frontiers in Molecular Biosciences 2022, 9, 10.3389/fmolb.2022.945415
  • Halogenation of tyrosine perturbs large-scale protein self-organization, H. Sun, H. Jia, O. Kendall, J. Dragelj, V. Kubyshkin, T. Baumann, M. A. Mroginski, P. Schwille, N. Budisa, Nature Communications 2022, 13, 4843–0, 10.1038/s41467-022-32535-2
  • Local Electric Field Changes during the Photoconversion of the Bathy Phytochrome Agp2, A. Kraskov, J. von Sass, A. D. Nguyen, T. O. Hoang, D. Buhrke, S. Katz, N. Michael, J. Kozuch, I. Zebger, F. Siebert, P. Scheerer, M. A. Mroginski, N. Budisa, P. Hildebrandt, Biochemistry 2021, 60, 2967–2977, 10.1021/acs.biochem.1c00426
  • A Resonance Raman Marker Band Characterizes the Slow and Fast Form of Cytochrome Oxidase, F. Kruse, A. D. Nguyen, J. Dragelj, J. Heberle, P. Hildebrandt, M. A. Mroginski, I. M. Weidinger, Journal of the American Chemical Society 2021, 143, 2769–2776, 10.1021/jacs.0c10767
  • Electronic and Structural Properties of the Double Cubane Iron-Sulfur Cluster, N. Elghobashi-Meinhardt, D. Tombolelli, M. A. Mroginski, Catalysts 2021, 11, 245–0, 10.3390/catal11020245
  • Tuning the Quantum Chemical Properties of Flavins via Modification at C8, R. K. Kar, S. Chasen, M. A. Mroginski, A. F. Miller, The Journal of Physical Chemistry B 2021, 125, 12654–12669, 10.1021/acs.jpcb.1c07306
  • Understanding flavin electronic structure and spectra, R. K. Kar, A. Miller, M. Mroginski, WIREs Computational Molecular Science 2021, 12, 1541–0, 10.1002/wcms.1541
  • Hidden in Plain Sight: Natural Products of Commensal Microbiota as an Environmental Selection Pressure for the Rise of New Variants of SARS‐CoV‐2, J. Dragelj, M. A. Mroginski, K. H. Ebrahimi, ChemBioChem 2021, 22, 2946–2950, 10.1002/cbic.202100346
  • Beating Heart of Cytochrome Oxidase: The Shared Proton of Heme Propionates, J. Dragelj, M. A. Mroginski, E. W. Knapp, The Journal of Physical Chemistry B 2021, 125, 9668–9677, 10.1021/acs.jpcb.1c03619
  • Probing the Structure of [NiFeSe] Hydrogenase with QM/MM Computations, S. Moubarak, N. Elghobashi-Meinhardt, D. Tombolelli, M. A. Mroginski, Applied Sciences 2020, 10, 781–0, 10.3390/app10030781
  • QM/MM computations reveal details of the acetyl-CoA synthase catalytic center, N. Elghobashi-Meinhardt, D. Tombolelli, M. A. Mroginski, Biochimica et Biophysica Acta (BBA) - General Subjects 2020, 1864, 129579–0, 10.1016/j.bbagen.2020.129579
  • Spectroscopic, thermodynamic and computational evidence of the locations of the FADs in the nitrogen fixation-associated electron transfer flavoprotein, N. Mohamed-Raseek, H. D. Duan, P. Hildebrandt, M. A. Mroginski, A. F. Miller, Chemical Science 2019, 10, 7762–7772, 10.1039/c9sc00942f
  • Proton Transfer Pathways between Active Sites and Proximal Clusters in the Membrane-Bound [NiFe] Hydrogenase, D. Tombolelli, M. A. Mroginski, The Journal of Physical Chemistry B 2019, 123, 3409–3420, 10.1021/acs.jpcb.9b00617