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 papersA public database of macromolecular diffraction experiments
The Integrated Resource for Reproducibility in Macromolecular Crystallography (IRRMC) is a large, scalable and searchable web-accessible archive of protein crystallography diffraction experiments organized according to metadata.
research papersAutomated refinement of macromolecular structures at low resolution using prior information
An automated pipeline for low-resolution structure refinement (LORESTR) has been developed to assist in the hassle-free refinement of difficult cases. The pipeline automates the selection of high-resolution homologues for external restraint generation and optimizes the parameters for ProSMART and REFMAC5, improving R factors and geometry statistics in 94% of the test cases.
research papersresearch papersConservation in the mechanism of glucuronoxylan hydrolysis revealed by the structure of glucuronoxylan xylanohydrolase (CtXyn30A) from Clostridium thermocellum
The thermostable glucuronoxylan endo-β-1,4-xylanase from C. thermocellum cleaves the xylan chain specifically at sites containing 4-O-methylglucuronic acid substitutions. The structure of the ligand-bound enzyme mutant E225A solved at 1.17 Å resolution shows binding of the xylotetraose-cleavage oligosaccharides at subsites −3 to +2.
research papersGlycoblocks: a schematic three-dimensional representation for glycans and their interactions
With structural glycoscience finally catching fire, the need for a clear way of depicting glycans and their interactions in three dimensions is more pressing than ever. Here the Glycoblocks representationis introduced, which combines a simplified bonding network depiction with the familiar two-dimensional glycan notation, brought into three-dimensions.
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