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Free and ATP-bound structures of Ap₄A hydrolase from Aquifex aeolicus V5

Crystal structures of free and ATP-bound forms of Ap₄A hydrolase from A. aeolicus have been determined at 1.8 and 1.95 Å resolution, respectively. The ATP-bound crystal structure shows binding of the product molecule at the primary active site and of the substrate molecule at a noncatalytic site near the N-terminal region of the enzyme.

XDS

The paper describes the software package XDS for processing of single crystal diffraction data recorded by the rotation method.

Integration, scaling, space-group assignment and post-refinement

The working principles of important steps in processing rotation data are described as employed by the program XDS.

Structures of human MST3 kinase in complex with adenine, ADP and Mn²⁺

The structure of human apoptosis-related protein kinase MST3 in its active form was determined with various bound ligands including Mn-ADP.

Structure of grouper iridovirus purine nucleoside phosphorylase

The crystal structure of purine nucleoside phosphorylase from grouper iridovirus was solved at 2.38 Å resolution.

Pseudo-merohedral twinning and noncrystallographic symmetry in orthorhombic crystals of SIVmac239 Nef core domain bound to different-length TCRζ fragments

P2₁2₁2₁ crystals of SIV Nef core domain bound to a peptide fragment of the T-cell receptor ζ subunit exhibited noncrystallographic symmetry and nearly perfect pseudo-merohedral twinning simulating tetragonal symmetry. For a different peptide fragment, nontwinned tetragonal crystals were observed but diffracted to lower resolution. The structure was determined after assignment of the top molecular-replacement solutions to various twin or NCS domains followed by refinement under the appropriate twin law.

Structure analysis of endosialidase NF at 0.98 Å resolution

The 0.98 Å resolution crystal structure of the 210 kDa protein endosialidase NF in complex with sialic acid is presented in a new polymorphic form.

Complexes of Thermotoga maritima S-adenosylme­thionine de­carboxylase provide insights into substrate specificity

The crystal structures of activated S-adenosylmethionine decarboxylase (AdoMetDC) from T. maritima and of its complexes with S-adenosylmethionine methyl ester and 5′-deoxy-5′-dimethylthioadenosine have been obtained. Comparison of the structures with that of human AdoMetDC provides insights into the substrate specificity, binding mode, autoprocessing and evolution of the enzyme.

Structure of human desArg-C5a

The structure of human desArg-C5a has been determined using molecular replacement to 2.58 Å. The structure is a dimer, and the N-terminal helices in each monomer differ from each other and occupy completely different positions from the NMR structures.

Studies on a Tyr residue critical for the binding of coenzyme and substrate in mouse 3(17)α-hydroxysteroid de­hydrogenase (AKR1C21): structure of the Y224D mutant enzyme

The structure of the Y224D mutant of mouse 3(17)α-hydroxysteroid dehydrogenase revealed that the mutation resulted in a change in the conformation of the flexible loop B. This loop is a unique feature of the active-site architecture of the wild type and is formed by the side chains of Tyr224 and Trp227.

Expansion of the aspartate β-semi­aldehyde de­hydrogenase family: the first structure of a fungal ortholog

This first structure of a fungal ortholog of ASA dehydrogenase has a similar overall fold and domain organization to the other members of this enzyme family. However, differences in the binding of the nucleotide cofactor and changes in the nature of the subunit interface are proposed to account for the lower catalytic efficiency of this enzyme from C. albicans.

PHENIX: a comprehensive Python-based system for macromolecular structure solution

The PHENIX software for macromolecular structure determination is described.

Retraction of articles by H. M. Krishna Murthy et al.

Retraction of two articles by H. M. Krishna Murthy et al..