How to mitigate the caveat emptor burden of human and machine users of the Protein Data Bank

It is postulated that the PDB should use the CAVEAT record more prominently to warn scientists using its archives of potential risks and errors.

Explicit correction of severely non-uniform distributions of cryo-EM views

An explicit numerical leveling of non-uniformly distributed sets of 2D projections with the program VUE improves the 3D reconstructions and illustrates sources of image distortion.

Probing the statistics of sequence-dependent DNA conformations in solution using SAXS

This paper demonstrates how SAXS data on different dsDNA oligonucleotides can be analysed using a polymer model to determine the statistical properties of the local conformations in solution. Orienting the conformations produced by the model with respect to the sequence allows the precise determination of sequence-dependent structural effects.

Qu­antifying distributions of cryo-EM projections

We propose a numerical measure to quantify the deviation of a distribution of cryo-EM 2D views from the uniform distribution. This approach allows the traditional two-dimensional projection diagrams to be complemented with quantitative characteristics and simple, easily generated curves that are straightforward to analyze.

Associating protein residues in the literature with structural data

A software tool is introduced for associating text mentions of protein residues with their respective residues in a protein structure, with display in a molecular viewer.

Structural study of Nicotiana benthamiana NADPH-dependent thioredoxin reductase C and its molecular mechanism of interaction with 2-Cys peroxiredoxin

This work identifies two cysteine residues crucial for the intrinsic stability of the complex between NADPH-dependent thioredoxin reductase C (NTRC) and 2-Cys peroxiredoxin (2CP) and the intermolecular interaction between them, determines the structure of the NTR domain of N. benthamiana NTRC and provides novel mechanistic insights into the NTRC–2CP regulatory complex.

Crystal structure of Schistosoma mansoni cathepsin D1 in complex with a nanobody reveals the conformation of the propeptide-bound state

Structural characterization of S. mansoni cathepsin D1 in complex with a nanobody reveals the conformation of the propeptide-bound state and identifies a schistosome-specific epitope.