Phaser. MRage is a molecular-replacement automation framework that implements a full
model-generation workflow and provides several layers of model exploration to the user. It is …

The number of macromolecular structures deposited in the Protein Data Bank now
approaches 100 000, with the vast majority of them determined by crystallographic methods …

The CCP4 (Collaborative Computational Project, Number 4) software suite for
macromolecular structure determination by X-ray crystallography groups brings together …

MOLREP is an automated program for molecular replacement that utilizes a number of
original approaches to rotational and translational search and data preparation. Since the …

The number of macromolecular structures solved and deposited in the Protein Data Bank
(PDB) is higher than 40 000. Using this information in macromolecular crystallography (MX) …

Sialic acid (N-acetylneuraminic acid (Neu5Ac)) is commonly found in the terminal location of
colonic mucin glycans where it is a much-coveted nutrient for gut bacteria, including …

Triterpene O-glycosylation has attracted significant interest from the pharmaceutical industry
as a valuable means for drug design and development. Plant glycosyltransferases, which …

Two years on from the initial release of AlphaFold, we have seen its widespread adoption as
a structure prediction tool. Here, we discuss some of the latest work based on AlphaFold …

The HIV-1 envelope glycoprotein (Env) undergoes conformational transitions consequent to
CD4 binding and coreceptor engagement during viral entry. The physical steps in this …

Human PARP2/ARTD2 is an ADP-ribosyltransferase which, when activated by 5′-
phosphorylated DNA ends, catalyses poly-ADP-ribosylation of itself, other proteins and …