With the advent of structural biology in the drug discovery process, medicinal chemists
gained the opportunity to use detailed structural information in order to progress screening …

The refinement and validation of a crystallographic structure model is the last step before the
coordinates and the associated data are submitted to the Protein Data Bank (PDB). The …

XDSAPP is an expert system and graphical user interface (GUI) for the automated
processing of diffraction images using the XDS program suite and other programs. The latest …

Owing to the development of brilliant microfocus beamlines, rapid-readout detectors and
sample changers, protein microcrystallography is rapidly becoming a popular technique for …

Following pioneering work 40 years ago, synchrotron beamlines dedicated to
macromolecular crystallography (MX) have improved in almost every aspect as …

We describe the incorporation of a bicyclo [1.1. 1] pentane moiety within two known LpPLA2
inhibitors to act as bioisosteric phenyl replacements. An efficient synthesis to the target …

Aromatic residues cluster in the core of folded proteins, where they stabilize the structure
through multiple interactions. Nuclear magnetic resonance (NMR) studies in the 1970s …

MASSIF-1 (ID30A-1) is an ESRF undulator beamline operating at a fixed wavelength of
0.969 Å (12.8 keV) that is dedicated to the completely automatic characterization of and data …

In macromolecular crystallography, radiation damage limits the amount of data that can be
collected from a single crystal. It is often necessary to merge data sets from multiple crystals; …

CAD is a large, 2225 amino acid multienzymatic protein required for de novo pyrimidine
biosynthesis. Pathological CAD variants cause a developmental and epileptic …