How do I get the most out of my protein sequence using bioinformatics tools?

Bioinformatics tools, primarily those available through the MPI Bioinformatics Toolkit, for the annotation of protein sequences are described. These include tools for the identification of homologs of known structure, protein domains, sequence repeats, coiled coils, transmembrane segments and signal sequences.

New restraints and validation approaches for nucleic acid structures in PDB-REDO

New restraints and validation targets for Watson–Crick base pairs are implemented in PDB-REDO and are applied to nucleic acid structures in the Protein Data Bank.

Validation, analysis and annotation of cryo-EM structures

Methods for the validation of 3D maps from cryo-EM are described and illustrated using an example map of bacteriophage P22. Methods for fitting, flexible fitting, refinement and annotation of models generated based on such maps are also explored.

Versatile microporous polymer-based supports for serial macromolecular crystallography

Using a number of model and real-life practical cases, the use of sample supports made of a thin perforated cyclic olefin co­polymer membrane for serial crystallography that enable low-background serial data collection is described.

Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking

A workflow to expand crystallographic fragment hits to higher affinity compounds using readily available analogs is described and successfully applied.

Structural and biochemical characterization of the novel serpin Iripin-5 from Ixodes ricinus

Biochemical, structural and functional characterization of Iripin-5, the most abundant serpin from the salivary glands of Ixodes ricinus, together with interface analysis, revealed the possible interactions with proteases that are necessary to explain the mechanism of action of serpins.

Neutralization of the anthrax toxin by antibody-mediated stapling of its membrane-penetrating loop

The structural mechanism of antibody-based neutralization of the anthrax toxin is revealed by cryo-EM.

Structural and functional analysis of the C-terminal region of Streptococcus gordonii SspB

Structural and functional analysis of the Streptococcus gordonii surface adhesin SspB is reported.