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@ARTICLE{Nass:435344,
      author       = {Nass, Karol and Redecke, Lars and Perbandt, Markus and
                      Yefanov, O. and Klinge, M. and Koopmann, R. and Stellato, F.
                      and Gabdulkhakov, A. and Schönherr, R. and Rehders, D. and
                      Lahey-Rudolph, J. M. and Aquila, A. and Barty, A. and Basu,
                      Shibom and Doak, R. Bruce and Duden, R. and Frank, Matthias
                      and Fromme, Raimund and Kassemeyer, S. and Katona, Gergely
                      and Kirian, Richard and Liu, H. and Majoul, I. and
                      Martin-Garcia, J. M. and Messerschmidt, M. and Shoeman, R.
                      L. and Weierstall, U. and Westenhoff, S. and White, Thomas
                      and Williams, G. J. and Yoon, C. H. and Zatsepin, Nadia and
                      Fromme, P. and Duszenko, M. and Chapman, H. N. and Betzel,
                      C.},
      title        = {{I}n cellulo crystallization of {T}rypanosoma brucei {IMP}
                      dehydrogenase enables the identification of genuine
                      co-factors},
      journal      = {Nature Communications},
      volume       = {11},
      number       = {1},
      issn         = {2041-1723},
      address      = {[London]},
      publisher    = {Nature Publishing Group UK},
      reportid     = {PUBDB-2020-00621},
      pages        = {620},
      year         = {2020},
      note         = {open access},
      abstract     = {Sleeping sickness is a fatal disease caused by the
                      protozoan parasite Trypanosoma brucei (Tb).
                      Inosine-5’-monophosphate dehydrogenase (IMPDH) has been
                      proposed as a potential drug target, since it maintains the
                      balance between guanylate deoxynucleotide and ribonucleotide
                      levels that is pivotal for the parasite. Here we report the
                      structure of TbIMPDH at room temperature utilizing
                      free-electron laser radiation on crystals grown in living
                      insect cells. The 2.80 Å resolution structure reveals the
                      presence of ATP and GMP at the canonical sites of the
                      Bateman domains, the latter in a so far unknown coordination
                      mode. Consistent with previously reported IMPDH complexes
                      harboring guanosine nucleotides at the second canonical
                      site, TbIMPDH forms a compact oligomer structure, supporting
                      a nucleotide-controlled conformational switch that
                      allosterically modulates the catalytic activity. The
                      oligomeric TbIMPDH structure we present here reveals the
                      potential of in cellulo crystallization to identify genuine
                      allosteric co-factors from a natural reservoir of specific
                      compounds.},
      cin          = {CFEL-I / FS-CFEL-1 / UNI/CUI / ASU / DOOR ; HAS-User / U
                      Lübeck},
      ddc          = {500},
      cid          = {I:(DE-H253)CFEL-I-20161114 / I:(DE-H253)FS-CFEL-1-20120731
                      / $I:(DE-H253)UNI_CUI-20121230$ / I:(DE-H253)ASU-20151130 /
                      I:(DE-H253)HAS-User-20120731 /
                      $I:(DE-H253)U_L__beck-20211012$},
      pnm          = {6215 - Soft Matter, Health and Life Sciences (POF3-621) /
                      633 - Life Sciences – Building Blocks of Life: Structure
                      and Function (POF4-633) / DFG project 194651731 - EXC 1074:
                      Hamburger Zentrum für ultraschnelle Beobachtung (CUI):
                      Struktur, Dynamik und Kontrolle von Materie auf atomarer
                      Skala (194651731) / DFG project 390715994 - EXC 2056: CUI:
                      Advanced Imaging of Matter (390715994)},
      pid          = {G:(DE-HGF)POF3-6215 / G:(DE-HGF)POF4-633 /
                      G:(GEPRIS)194651731 / G:(GEPRIS)390715994},
      experiment   = {EXP:(DE-H253)CFEL-Exp-20150101 /
                      EXP:(DE-MLZ)External-20140101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:32001697},
      UT           = {WOS:000512495200001},
      doi          = {10.1038/s41467-020-14484-w},
      url          = {https://bib-pubdb1.desy.de/record/435344},
}