Structural basis for the high-affinity binding of pyrrolotriazine inhibitors of p38 MAP kinase

The crystal structures of p38α MAP kinase complexed with two pyrrolotriazine-based inhibitors led to the elucidation of the high-affinity binding mode of these compounds.

Exploiting the anisotropy of anomalous scattering boosts the phasing power of SAD and MAD experiments

It is shown that the anisotropy of anomalous scattering (AAS) is a significant and ubiquitous effect in data sets collected at an absorption edge and that its exploitation can substantially enhance the phasing power of single- or multi-wavelength anomalous diffraction. The improvements in the phases are typically of the same order of magnitude as those obtained in a conventional approach by adding a second-wavelength data set to a SAD experiment.

Structure and sugar-specificity of basic winged-bean lectin: structures of new disaccharide complexes and a comparative study with other known disaccharide complexes of the lectin

Crystal structures of winged-bean basic agglutinin with disaccharides having glycosidic linkages that differ from those in the A and B blood-group substances reveal the structural basis for the higher specifity of the lectin for the blood-group antigens.

A general method for phasing novel complex RNA crystal structures without heavy-atom derivatives

Using idealized known RNA secondary-structural fragments, it is demonstrated that it is possible to solve novel complex RNA structures without resort to heavy-atom phasing methods.

Structures of Mycobacterium tuberculosis folylpolyglutamate synthase complexed with ADP and AMPPCP

Crystal structures of M. tuberculosis folylpolyglutamate synthetase complexed with two nucleotides have been determined at 2.0 and 2.3 Å resolution, revealing an active-site loop movement and associated changes that influence substrate binding.

High-resolution structure of unbound human immunodeficiency virus 1 subtype C protease: implications of flap dynamics and drug resistance

The high-resolution structure of HIV-1 subtype C protease contributes to the understanding of flap dynamics and drug resistance.

On the determinants of amide backbone exchange in proteins: a neutron crystallographic comparative study

Backbone amide hydrogen/deuterium-exchange patterns can be directly observed from neutron crystal structures. For all the types of analysis performed, it is concluded that protection from exchange is only strongly correlated to secondary structure and the depth of the amide N atom.

Direct interaction between a human digestive protease and the mucoadhesive poly(acrylic acid)

The three-dimensional structure of human pancreatic carboxypeptidase A1 reveals the mode of binding of a polymer with drug-protecting effects and is used to apply optimal docking-area analysis to characterize binding sites for multiprotein complexes.

Structure determination of an anti-HIV-1 Fab 447-52D–peptide complex from an epitaxially twinned data set

Separation of two individual lattices within an epitaxially twinned data set allowed the crystal structure of the V3-specific neutralizing antibody 447-52D in complex with a V3 peptide (UG1033) to be determined. The structure confirms that the neutralization breadth of Fab 447-52D is likely to be attributable to the extensive focus on main-chain hydrogen-bond interactions with the peptide that permit the recognition of a range of V3 sequences.

1.6 Å structure of an NAD⁺-dependent quinate de­hydrogenase from Corynebacterium glutamicum

The crystal structure of an NAD⁺-dependent quinate dehydrogenase from C. glutamicum has been solved. Enzymatic assays show that this enzyme belongs to a new functional class of bacterial shikimate/quinate dehydrogenases.

Federated repositories of X-ray diffraction images

A suite of deposition tools have been created that allow X-ray diffraction images to be deposited in an open-access repository. The approach takes advantage of federated institutional repositories and aims to facilitate the archiving and sharing of raw X-ray diffraction images from the protein crystallography community.