Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods
to determine three-dimensional macromolecular structures, which are required to …

This paper describes the current update on macromolecular model validation services that
are provided at the MolProbity website, emphasizing changes and additions since the …

There are more H atoms than any other type of atom in an X-ray crystal structure of a protein–
ligand complex, but as H atoms only have one electron they diffract X-rays weakly and …

The Staphylococcus aureus virulence factor staphylococcal protein A (SpA) is a major
contributor to bacterial evasion of the host immune system, through high-affinity binding to …

Staphylococcal protein A (SpA) is an important virulence factor from Staphylococcus aureus
responsible for the bacterium's evasion of the host immune system. SpA includes five small …

Traditionally, validation was considered to be a final gatekeeping function, but refinement is
smoother and results are better if model validation actively guides corrections throughout …

With increasing recognition of the roles RNA molecules and RNA/protein complexes play in
an unexpected variety of biological processes, understanding of RNA structure–function …

Highlights•Robust evaluation: distinguishing errors from valid anomalies.•New validation at
the PDB.•Updated infrastructure: reference data, parameters, and methods.•Diagnostics for …

ABSTRACT A hot desert hypolith metagenomic DNA sequence data set was screened in
silico for genes annotated as acetyl xylan esterases (AcXEs). One of the genes identified …

‡ Current address: Astex Therapeutics Ltd, Cambridge CB4 0QA, England. § Current
address: Duke Institute for Health Innovation, Duke University Medical Center, Durham, NC …