Structures of Arthrobacter globiformis urate oxidase–ligand complexes

Crystal structures of urate oxidase from A. globiformis and of its complexes with uric acid, allantoate and 8-azaxanthin demonstrate details of substrate recognition and catalysis.

Improved classification of crystallization images using data fusion and multiple classifiers

Improved classification of images from crystallization experiments is obtained using multiple classifiers to combine different feature-extraction methods.

Pattern-recognition-based detection of planar objects in three-dimensional electron-density maps

A pattern-recognition-based method for the identification of planar objects in crystallographic electron-density maps is presented. The accuracy of the located centres of the planes is of the order of 0.5 Å.

Structure determination of the 1918 H1N1 neuraminidase from a crystal with lattice-translocation defects

The structure of the 1918 H1N1 neuraminidase was determined to 1.65 Å from crystals with a lattice-translocation defect using uncorrected, as well as corrected, diffraction data.

Short strong hydrogen bonds in proteins: a case study of rhamnogalacturonan acetylesterase

The short hydrogen bonds in rhamnogalacturonan acetylesterase have been investigated by structure determination of an active-site mutant, ¹H NMR spectra and computational methods. Comparisons are made to database statistics. A very short carboxylic acid carboxylate hydrogen bond, buried in the protein, could explain the low-field (18 p.p.m.) ¹H NMR signal.

Macromolecular structure solution by charge flipping

A novel phasing method that uses the charge-flipping algorithm has been used to solve the ab initio structure of biological macromolecules at atomic resolution and to determine heavy-atom or anomalous scattering substructures.

Representation of viruses in the remediated PDB archive

A new data model for PDB entries of viruses and other biological assemblies with regular noncrystallographic symmetry is described.

Structural evidence for the inhibition of grape di­hydroflavonol 4-reductase by flavonols

Structures of grape dihydroflavonol 4-reductase in complex with NADP⁺ and various flavonols suggest possible inhibition of the enzyme by flavonols. Initial kinetics experiments confirmed the inhibition and showed its competitive character.

Structure of a superoxide dismutase and implications for copper-ion chelation

Structural insights were obtained into the copper-chelation mechanism in superoxide dismutases.

Alternative models for two crystal structures of bovine rhodopsin

Two crystal structures of rhodopsin that were originally described using trigonal symmetry can be interpreted in a hexagonal unit cell with a smaller asymmetric unit.

Coulombic and dispersive factors in the molecular recognition of peptides: PIXEL calculations on two NNQQ (Asn-Asn-Gln-Gln) crystal polymorphs

The crystal-packing and cohesive energies in the structures of two polymorphs of the title tetrapeptide have been analyzed using molecule–molecule energies calculated using the PIXEL method.