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Showing 1–9 of 9 results
Advanced filters: Author: Renee Otten Clear advanced filters

  • A key challenge in the field of protein design and evolution is to understand the mechanisms by which directed evolution is improving enzymes. Here the authors combine different biophysical methods and give mechanistic insights into how directed evolution increases the catalytic efficiency of human peptidyl-prolyl cis/trans isomerase CypA.

    • Renee Otten
    • Lin Liu
    • James S. Fraser
    ResearchOpen Access
    Nature Communications
    Volume: 9, P: 1-11

  • Combining NMR spectroscopy-derived pseudocontact shifts (PCSs) with Carr–Purcell–Meiboom–Gill (CPMG) relaxation dispersion enables protein structure determination of lowly populated high-energy states that are essential for macromolecular function.

    • John B. Stiller
    • Renee Otten
    • Dorothee Kern
    Research
    Nature
    Volume: 603, P: 528-535

  • An analysis of the evolutionary distribution of predicted structures for the metamorphic protein KaiB using AF-Cluster reveals that both conformations of KaiB were distributed in clusters across the KaiB family.

    • Hannah K. Wayment-Steele
    • Adedolapo Ojoawo
    • Dorothee Kern
    ResearchOpen Access
    Nature
    Volume: 625, P: 832-839

  • X-ray, cryo-EM and kinetic studies of the circadian oscillator KaiBC from the photosynthetic bacterium Rhodobacter sphaeroides shed light on the evolution of self-regulating oscillators.

    • Warintra Pitsawong
    • Ricardo A. P. Pádua
    • Dorothee Kern
    ResearchOpen Access
    Nature
    Volume: 616, P: 183-189

  • The fleeting nature of transition state ensembles of protein motions has precluded their experimental observation. This work provides an atomistic insight into the rate-determining structural transition of adenylate kinase during catalysis by high-pressure NMR and molecular dynamics simulations.

    • John B. Stiller
    • S. Jordan Kerns
    • Dorothee Kern
    Research
    Nature Catalysis
    Volume: 2, P: 726-734

  • Chemotherapeutic drug Gleevec (imatinib) is a potent and specific inhibitor of Abl kinase. NMR and fast kinetic analyses now reveal that Abl undergoes an induced-fit conformational change upon Gleevec binding.

    • Roman V Agafonov
    • Christopher Wilson
    • Dorothee Kern
    Research
    Nature Structural & Molecular Biology
    Volume: 21, P: 848-853

  • The protein tyrosine phosphatase SHP2 is a key regulator of cell cycle control. Here the authors combine NMR measurements and X-ray crystallography and show that wild-type SHP2 dynamically exchanges between a closed inactive conformation and an open activated form and that the oncogenic E76K mutation shifts the equilibrium to the open state, which is reversed by binding of the allosteric inhibitor SHP099.

    • Ricardo A. P. Pádua
    • Yizhi Sun
    • Dorothee Kern
    ResearchOpen Access
    Nature Communications
    Volume: 9, P: 1-14

  • Structural, computation and kinetics approaches reveal the energy landscape of catalysis by adenylate kinase and show that the cofactor Mg2+ activates two distinct molecular events in the reaction cycle: phosphoryl transfer and lid opening.

    • S Jordan Kerns
    • Roman V Agafonov
    • Dorothee Kern
    Research
    Nature Structural & Molecular Biology
    Volume: 22, P: 124-131