issue contents

Journal logoSTRUCTURAL
ISSN: 2059-7983

September 2021 issue

Highlighted illustration

Cover illustration: The novel serpin Iripin-5 from Ixodes ricinus [Kascakova et al. (2021), Acta Cryst. D77, 1183–1196]. Iripin-5 appears to be an immuno­modulatory and anti-inflammatory protein used by I. ricinus ticks to overcome host defensive mechanisms.


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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.

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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.

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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.

research papers

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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.

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

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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.

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