journal menuforthcoming articles
The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section D: Structural Biology.
See also Forthcoming articles in all IUCr journals.
research papersProtein Data Bank (PDB) Archive: A New Architecture (Beta) for Scalable, PDBx/mmCIF-Based Data Distribution
wwPDB has extended PDB IDs to 12 characters with a prefix "pdb_" followed by 8 alphanumeric characters in lower case (e.g., pdb_1000axyz). A Beta version of the PDB Archive (files-beta.wwpdb.org), with extended PDB IDs and an improved directory structure is now available to help communities adopt extended PDB IDs and PDBx/mmCIF format.
research papersCrystal structure of endo-β-1,6-galactanase from Streptomyces avermitilis
The crystal structure of Streptomyces avermitilis endo-β-1,6-galactanase Sa16Gal30A belonging to GH30 subfamily 5 reveals the first structural framework for endo-β-1,6-galactanase. The β-1,6-galactobiose-bound complex identifies the catalytic subsites and a distal secondary sugar-binding site, providing insight into β-1,6-galactan recognition.
research papersresearch papersCrystal structure of pilus-specific sortase from Enterococcus faecalis reveals both open and closed conformations: insights into loop dynamics and substrate recognition
The open and closed lid conformational states of class C sortase (SrtC), which catalyzes the polymerization of endocarditis and biofilm-associated pili (Ebp) in Enterococcus faecalis, were captured in a single crystal. Communication between the flexible lid and the dynamic active-site (β7–β8) loop, along with their synchronized motions, regulates access to the active site for primary and secondary substrate binding.
research papersresearch papersInteractive segmentation of membrane and membrane-mimic densities in cryo-EM maps
SURFER performs automated segmentation of contextual membrane and membrane mimic density in cryo-EM maps to enable robust separation of macromolecular signal from surrounding detergent or lipid membrane features. It is conveniently distributed as a plugin for UCSF ChimeraX, allowing interactive application within standard map visualization workflows.
research papersExperimental estimation of copper-site geometry reproducibility in biologically relevant redox and saccharide-bound states of a model LPMO
Small but measurable changes in the coordination geometry of LPMO Cu active site are revealed by X-ray crystallography, providing structural insight into their catalytic flexibility.
research papersStructural basis of regioselective double halogenation of the β-carboline tryptoline by the single-component halogenase AetF
Abstract A structure of the flavin-dependent single-component tryptophan halogenase AetF bound to the non-native tricyclic substrate tryptoline reveals a binding pose analogous to l-tryptophan that directs C6-first halogenation. Product analysis identifies 6,8-dibromotryptoline as the final product.
research papersSimulating neutron protein crystallography experiments: applications to the development of the NMX instrument at ESS
Monte Carlo simulations of neutron protein diffraction experiments provide useful data that models neutrons interacting with instrument components, as well as the crystal diffraction itself. These data can be applied to instrument development, such as the commissioning of the NMX Macromolecular Diffractometer at ESS.
research papersresearch papersresearch papersresearch papersBiochemical and structural characterization of a tail-spike protein with depolymerase activity identified in a marine podovirus
The marine tail-spike protein Dpo31 degrades the exopolysaccharide of its host and has structural features similar to those of other members of this protein class, despite similarity not being detected at the sequence level.
