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@ARTICLE{Borggrfe:904599,
      author       = {Borggräfe, Jan and Victor, Julian and Rosenbach, Hannah
                      and Viegas, Aldino and Gertzen, Christoph G. W. and Wuebben,
                      Christine and Kovacs, Helena and Gopalswamy, Mohanraj and
                      Riesner, Detlev and Steger, Gerhard and Schiemann, Olav and
                      Gohlke, Holger and Span, Ingrid and Etzkorn, Manuel},
      title        = {{T}ime-resolved structural analysis of an {RNA}-cleaving
                      {DNA} catalyst},
      journal      = {Nature},
      volume       = {601},
      issn         = {0028-0836},
      address      = {London [u.a.]},
      publisher    = {Nature Publ. Group},
      reportid     = {FZJ-2021-06169},
      pages        = {144-149},
      year         = {2022},
      abstract     = {The 10–23 DNAzyme is one of the most prominent
                      catalytically active DNA sequences1,2. Its ability to cleave
                      a wide range of RNA targets with high selectivity entails a
                      substantial therapeutic and biotechnological potential2.
                      However, the high expectations have not yet been met, a fact
                      that coincides with the lack of high-resolution and
                      time-resolved information about its mode of action3. Here we
                      provide high-resolution NMR characterization of all apparent
                      states of the prototypic 10–23 DNAzyme and present a
                      comprehensive survey of the kinetics and dynamics of its
                      catalytic function. The determined structure and identified
                      metal-ion-binding sites of the precatalytic DNAzyme–RNA
                      complex reveal that the basis of the DNA-mediated catalysis
                      is an interplay among three factors: an unexpected, yet
                      exciting molecular architecture; distinct conformational
                      plasticity; and dynamic modulation by metal ions. We further
                      identify previously hidden rate-limiting transient
                      intermediate states in the DNA-mediated catalytic process
                      via real-time NMR measurements. Using a rationally selected
                      single-atom replacement, we could considerably enhance the
                      performance of the DNAzyme, demonstrating that the acquired
                      knowledge of the molecular structure, its plasticity and the
                      occurrence of long-lived intermediate states constitutes a
                      valuable starting point for the rational design of
                      next-generation DNAzymes.},
      cin          = {JSC / NIC / IBI-7 / IBG-4},
      ddc          = {500},
      cid          = {I:(DE-Juel1)JSC-20090406 / I:(DE-Juel1)NIC-20090406 /
                      I:(DE-Juel1)IBI-7-20200312 / I:(DE-Juel1)IBG-4-20200403},
      pnm          = {5111 - Domain-Specific Simulation $\&$ Data Life Cycle Labs
                      (SDLs) and Research Groups (POF4-511) / 2171 - Biological
                      and environmental resources for sustainable use (POF4-217) /
                      2172 - Utilization of renewable carbon and energy sources
                      and engineering of ecosystem functions (POF4-217) / 5244 -
                      Information Processing in Neuronal Networks (POF4-524) /
                      Forschergruppe Gohlke $(hkf7_20200501)$},
      pid          = {G:(DE-HGF)POF4-5111 / G:(DE-HGF)POF4-2171 /
                      G:(DE-HGF)POF4-2172 / G:(DE-HGF)POF4-5244 /
                      $G:(DE-Juel1)hkf7_20200501$},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:34949858},
      UT           = {WOS:000734154500001},
      doi          = {10.1038/s41586-021-04225-4},
      url          = {https://juser.fz-juelich.de/record/904599},
}