issue contents

Journal logoSTRUCTURAL
ISSN: 2059-7983

November 2022 issue

Highlighted illustration

Cover illustration: Photosynthetic glyceraldehyde 3-phosphate dehydrogenase (GAPDH), a key enzyme in the Calvin–Benson cycle [Marotta et al. (2022), Acta Cryst. D78, 1399–1411]. A GAPDH oligomer cryo-EM density map fitted with a model derived from the crystal structure of oxidized A2B2 complexed with NADP+ is shown. This 13 Å resolution A10B10 map is a pentamer of A2B2 tetramers with C5 symmetry and a central 5531 Å2 wide seastar-shaped cavity.


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The accuracy of the models predicted using AlphaFold and RoseTTAFold eases phasing with molecular replacement and raises the question of model bias. ARCIMBOLDO_SHREDDER solves structures while aiming to establish the experimental information in a crystallographic determination by introducing systematic, local verification of phasing solutions.

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A brief overview of techniques used in the hit-identification/validation stage of drug discovery is given, highlighting the importance of orthogonal measurements and triangulation in early-stage crystallographic hit validation.

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phenix.process_predicted_model and ISOLDE provide seamless integration of AlphaFold-predicted models into protein structure-solution workflows.

research papers

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Small-angle X-ray scattering (SAXS) and small-angle neutron scattering (SANS) measurements of five standard proteins in solution using 12 SAXS and four SANS instruments demonstrate reproducibility and yield consensus scattering profiles that provide a foundation benchmarking set to evaluate approaches to scattering-profile prediction from atomic coordinates.

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The horseshoe crab Limulus polyphemus is an ancient chelicerate that is a model organism for the study of the evolution and function of peptidases. It contains a member of the astacin metallopeptidases, the mechanism of latency of which was revealed by X-ray structural analysis.

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A phylogenetically distant glycoside hydrolase family 5 member retrieved from the capybara gut microbiome displays a large and open catalytic interface that is adapted to recognize complex heteromannans, establishing the novel GH5_57 subfamily. This study expands the current mechanistic and functional understanding of one of the largest GH families.

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The crystal structure of human AAR2 bound to the central spliceosomal factor PRPF8 and in vitro functional data yield insights into the structural basis of snRNP assembly in humans.

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The crystal structure of DNA polymerase I from Thermus phage G20c is presented and represents the first crystal structure of DNA polymerase I from a group of related thermophilic bacteriophages. The structure reveals a new structural motif termed SβαR that was not previously identified in other DNA polymerases I (or in the DNA polymerase A family).

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Regulation of the heteromeric form of photosynthetic glyceraldehyde 3-phosphate dehydrogenase (AB-GAPDH) depends on oscillation between a fully active heterotetramer (A2B2) and inhibited oligomers. Experimental evidence demonstrates that the inhibition of spinach AB-GAPDH depends on the formation of dimers, tetramers or pentamers of A2B2 modules linked together by C-terminal extensions of the B subunits that extend from one modular tetramer and occupy two active sites of the adjacent tetramer.
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