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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 papersStructural variability of CG-rich DNA 18-mers accommodating double T–T mismatches
Two investigated DNA 18-mers indicate dynamic equilibrium of conformations in solution and crystallize as duplexes with two consecutive T-T mismatches. Neither these mismatched nucleotides nor the other found in PDB exhibit unique structural features compared to Watson-Crick paired ones.
research papersCrystallographic binding studies of rat peroxisomal multifunctional enzyme type 1 with 3-ketodecanoyl-CoA: capturing active and inactive states of its hydratase and dehydrogenase catalytic sites
The 1.7 Å resolution crystal structure of peroxisomal multifunctional enzyme type 1 (MFE1) shows a conformation in which both catalytic sites are noncompetent. The analysis of the structures of the complexes with 3-ketodecanoyl-CoA suggests how the conformational flexibility of MFE1 could be important for its function.
research papersHomogeneously N-glycosylated proteins derived from the GlycoDelete HEK293S cell line enable diffraction-quality crystallogenesis
Structural studies on glycoproteins are often complicated by glycan complexity. Here, it is shown that the GlycoDelete HEK cell line enginered to produce glycan stumps produces homogeneous glycoproteins that are ideal for crystallogenesis and other structural studies.
research papersLow-resolution structures of modular nanotransporters shed light on their functional activity
Artificial multifunctional polypeptide constructs (modular nanotransporters, MNTs) have great potential in the treatment of various diseases, particularly cancer. In this study, a 3D low-resolution structure of an MNT in solution was obtained by atomic force microscopy, transmission electron microscopy and small-angle X-ray scattering coupled to size-exclusion chromatography methods.
research papersThe copper(II)-binding tripeptide GHK, a valuable crystallization and phasing tag for macromolecular crystallography
A novel three-residue tag containing the residues GHK that can be used to promote crystallization and in SAD phasing experiments using its tightly bound copper ion.
research papersresearch papersresearch papersInfluence of the presence of the heme cofactor on the JK-loop structure in indoleamine 2,3-dioxygenase 1
This article provides an in-depth analysis of structural aspects of the heme-bound structure of indoleamine 2,3-dioxygenase 1 with a complete refined JK-loop (the overall crystal structure, the quality of the structure, the dimerization interfaces and an analysis of the JK-loop conformation) followed by a molecular-dynamics study of the influence of heme occupation on the conformation of the JK-loop.
research papersThe crystal structure of AjiA1 reveals a novel structural motion mechanism in the adenylate-forming enzyme family
AjiA1 is an adenylate-forming enzyme (AFE) family member that catalyzes the condensation of two molecules of 3-hydroxyanthranilic acid using ATP as a co-substrate. The structure of AjiA1 in its apo form was solved and revealed key conformational changes, including an unusual loop swapping, suggesting that it should be classified into a new AFE subgroup.
research papersShift-field refinement of macromolecular atomic models
Shift-field refinement is an approach to the refinement of a model against a set of structure-factor observations which is not tied to an underlying atomic parameterization. The performance of the method is evaluated for the refinement of positional parameters over a set of 452 molecular-replacement problems.
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