30 years of Acta D

Celebrating 30 years of Acta D and looking forward to the future of structural biology.

Towards the standardized presentation and publication of small-angle scattering data from biomolecules in solution

The template tables for small-angle scattering data have been updated by Trewhella et al. [(2023), Acta Cryst. D79 122–132].

In situ ligand restraints from quantum-mechanical methods

In situ quantum-mechanical optimization of ligand structures provides accurate ligand restraints for macromolecular refinement.

Cryo-EM reveals binding of linoleic acid to SARS-CoV-2 spike glycoprotein, suggesting an antiviral treatment strategy

SARS-CoV-2 spike protein comprises a conserved hydrophobic pocket that binds linoleic acid (LA). LA supplementation interferes with viral entry into the cell and replication, and thus could be used as an antiviral.

2023 update of template tables for reporting biomolecular structural modelling of small-angle scattering data

An updated template reporting table based on the 2017 publication guidelines for biomolecular SAS and 3D modelling is presented that includes standard descriptions for proteins, glycosylated proteins, DNA and RNA, and some reorganization of the data to improve readability and interpretation. A specialized template has also been developed for reporting SAS contrast-variation data and models that incorporates the additional reporting requirements for these more complicated experiments.

Right-handed Z-DNA at ultrahigh resolution: a tale of two hands and the power of the crystallographic method

The crystal structure of the self-complementary d(CGCGCG)₂ Z-DNA duplex in complex with cadaverinium and potassium cations was solved at ultrahigh resolution. The oligonucleotide used for crystallization contained the enantiomeric 2′-deoxy-L-ribose instead of its natural D-enantiomer, and thus the Z-DNA duplex is right-handed.

Cryo-EM structure of adeno-associated virus 4 at 2.2 Å resolution

An updated structure of adeno-associated virus serotype 4 (AAV4) is presented with a comparison to receptor-bound structures (AAV2 and AAV5) to predict why AAV4 does not bind to the adeno-associated virus receptor.

Structural insight into the hydrolase and synthase activities of an alkaline α-galactosidase from Arabidopsis from complexes with substrate/product

The alkaline α-galactosidase AtAkαGal3 from Arabidopsis exhibits a dual function where it can synthesize stachyose using raffinose, instead of galactinol, as the galactose donor. Crystal structures of complexes of AtAkαGal3 and its D383A mutant with various substrates and products, including galactose, galactinol, raffinose, stachyose and sucrose, reveal four complete subsites (–1 to +3) and a new secondary product-binding site, providing the first representative structure of an alkaline α-galactosidase and a model for the raffinose family of oligosaccharide synthases.

Crystal structure of a polyglycine hydrolase determined using a RoseTTAFold model

The atomic structure of a polyglycine hydrolase solved using a RoseTTAFold model-assisted molecular-replacement method reveals a two-domain enzyme. The structure reveals a novel tertiary fold and a similarity to β-lactamases.

The LH–DH module of bacterial replicative helicases is the common binding site for DciA and other helicase loaders

The crystallographic structure of the DnaB·DciA complex from Vibrio cholerae reveals that the various helicase loaders share the same binding site on the bacterial replicative helicase, albeit with differences in their loading mechanisms.

Structural and functional characterization of a thermostable secretory phospholipase A₂ from Sciscionella marina and its application in liposome biotransformation

A novel marine bacterial secretory phospholipase A₂ (Sm-sPLA₂) was characterized as being efficient in liposome biotransformation at high temperatures. The high-resolution crystal structure and mutagenesis studies revealed the determinant of the thermostability of Sm-sPLA₂.