Structure-based drug discovery (SBDD) is an indispensable approach for the design and
optimization of new therapeutic agents. Here, we highlight the rapid progress that has turned …

The recently developed AlphaFold2 (AF2) algorithm predicts proteins' 3D structures from
amino acid sequences. The open AlphaFold protein structure database covers the complete …

The power of computer simulations, including machine‐learning, has become an
inseparable part of scientific analysis of biological data. This has significantly impacted the …

Humans express 15 formins that play crucial roles in actin-based processes, including
cytokinesis, cell motility and mechanotransduction,. However, the lack of structures bound to …

The barbed and pointed ends of the actin filament (F-actin) are the sites of growth and
shrinkage and the targets of cap** proteins that block subunit exchange, including CapZ …

Oxytocin (OT) and vasopressin (AVP) are conserved peptide signaling hormones that are
critical for diverse processes including osmotic homeostasis, reproduction, lactation and …

The mycolic acid layer of the Mycobacterium tuberculosis cell wall is essential for viability
and virulence, and the enzymes responsible for its synthesis are targets for …

Rational design of next-generation therapeutics can be facilitated by high-resolution
structures of drug targets bound to small-molecule inhibitors. However, application of …

Somatostatin is a signaling peptide that plays a pivotal role in physiologic processes relating
to metabolism and growth through its actions at somatostatin receptors (SSTRs). Members of …

New X‐ray crystallography and cryo‐electron microscopy (cryo‐EM) approaches yield vast
amounts of structural data from dynamic proteins and their complexes. Modeling the full …