Electron cryo-microscopy (cryo-EM) has revolutionized structure determination of membrane
proteins and holds great potential for structure-based drug discovery. Here we discuss the …

Hybrid photon counting (HPC) detectors have radically transformed basic research at
synchrotron light sources since 2006. They excel at X-ray diffraction applications in the …

The nonstructural protein 3 (NSP3) of the severe acute respiratory syndrome-coronavirus-2
(SARS-CoV-2) contains a conserved macrodomain enzyme (Mac1) that is critical for …

In fragment-based drug discovery, hundreds or often thousands of compounds smaller
than~ 300 Da are tested against the protein of interest to identify chemical entities that can …

Fragment merging is a promising approach to progressing fragments directly to on-scale
potency: each designed compound incorporates the structural motifs of overlapping …

Small-molecule drugs have enabled the practice of precision oncology for genetically
defined patient populations since the first approval of imatinib in 2001. Scientific and …

High-throughput X-ray crystal structures of protein–ligand complexes are critical to
pharmaceutical drug development. However, cryocooling of crystals and X-ray radiation …

Cancer will directly affect the lives of over one-third of the population. The DNA Damage
Response (DDR) is an intricate system involving damage recognition, cell cycle regulation …

A novel crystallographic fragment screening data set was generated and used in the
SAMPL7 challenge for protein-ligands. The SAMPL challenges prospectively assess the …

Mycobacterium abscessus (Mab) has emerged as a challenging threat to individuals with
cystic fibrosis. Infections caused by this pathogen are often impossible to treat due to the …