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  • Single-molecule methods are a powerful tool to study the kinetics of ATP-powered enzymes. A method that locally controls the generation of ATP significantly increases the throughput of single-molecule approaches and unlocks single-turnover analysis of molecular machines.

    • Jens C. Schmidt
    News & Views
  • Artificial intelligence (AI) is poised to transform therapeutic science. Therapeutics Data Commons is an initiative to access and evaluate AI capability across therapeutic modalities and stages of discovery, establishing a foundation for understanding which AI methods are most suitable and why.

    • Kexin Huang
    • Tianfan Fu
    • Marinka Zitnik
  • Compound library screening combined with medicinal chemistry and structural biology approaches enables the development of potent and highly selective cell-permeable small-molecule inhibitors of phosphatidylinositol 3-kinase C2α activity and function.

    • Wen-Ting Lo
    • Hassane Belabed
    • Volker Haucke
    Article Open Access
  • Isoform-selective inhibition of JAK kinases is of key interest in drug discovery. A novel pocket in the JAK pseudokinase domain was targeted by an allosteric covalent inhibitor, leading to specific JAK1 inhibition and providing a deeper understanding of cytokine signaling.

    • Olli Silvennoinen
    • Teemu Haikarainen
    • Anniina Virtanen
    News & Views
  • An RNA aptamer that selectively binds FAD over FADH2 shifted the reduction potential of the bound cofactor, similar to flavoproteins, and was shown through structural characterization to use π–π and donor–π interactions to drive the shift.

    • John S. Samuelian
    • Thomas J. Gremminger
    • Dana A. Baum
    Article Open Access
  • A tool kit to study bacterial efflux pumps and the movement of compounds across the cell envelope was developed enabling investigation of efflux pump physiological functions, substrate specificities and profiling of efflux pump inhibitors.

    • Tanisha Teelucksingh
    • Laura K. Thompson
    • Georgina Cox