A conformational landscape for alginate secretion across the outer membrane of Pseudomonas aeruginosa

Crystal structures of the β-barrel porin AlgE reveal a mechanism whereby alginate is exported from P. aeruginosa for biofilm formation.

HermiteFit: fast-fitting atomic structures into a low-resolution density map using three-dimensional orthogonal Hermite functions

A new algorithm for fitting protein structures into low-resolution electron-density (e.g. cryo-electron microscopy) maps is presented. The algorithm uses three-dimensional orthogonal Hermite functions for fast operations on the electron density.

Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway

The first structural insight into the catalysis of the yeast CoQ₆ biosynthesis pathway is provided.

Structural and biophysical analysis of interactions between cod and human uracil-DNA N-glycosylase (UNG) and UNG inhibitor (Ugi)

A structural and biophysical study of the interactions between cod and human uracil-DNA N-glycosylase (UNG) and their inhibitor Ugi is presented. The stronger interaction between cod UNG and Ugi can be explained by a greater positive electrostatic surface potential.

Domain mobility as probed by small-angle X-ray scattering may account for substrate access to the active site of two copper-dependent amine oxidases

SAXS analysis suggests that in solution CAOs homodimers could undergo a conformational change. The D3 domain seems to move with respect to the rest of the protein, increasing the accessibility of the active site.

Improved reproducibility of unit-cell parameters in macromolecular cryocrystallography by limiting dehydration during crystal mounting

Unit-cell reproducibility is improved by maintaining the humidity of crystals during cryomounting.

High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase

Lipocalin-type prostaglandin D synthase (L-PGDS) is the first member of the important lipocalin family to be recognized as an enzyme. The X-ray structures of nine crystal forms of one single mutant, three double mutants and a triple mutant of human L-PGDS have been solved.

Structure of the virulence-associated protein VapD from the intracellular pathogen Rhodococcus equi

VapD is one of a set of highly homologous virulence-associated proteins from the multi-host pathogen Rhodococcus equi. The crystal structure reveals an eight-stranded β-barrel with a novel fold and a glycine rich `bald' surface.

Structural and dynamic changes associated with beneficial engineered single-amino-acid deletion mutations in enhanced green fluorescent protein

The beneficial engineered single-amino-acid deletion variants EGFP^D190Δ and EGFP^A227Δ have been studied.

Mapping the conformational space accessible to catechol-O-methyltransferase

Crystal structures of mouse, rat and human catechol-O-methyltransferase were determined in apo, semi-holo, holo and Michaelis forms under a variety of conditions. Domain swaps and large conformational changes in the active sites are observed, which testify to why this enzyme is a difficult drug target.

Structure of the type VI secretion phospholipase effector Tle1 provides insight into its hydrolysis and membrane targeting

Crystal structure and molecular dynamics simulations analysis of the type VI secretion phospholipase effector Tle1 provide insights into its hydrolysis and membrane targeting.

Schistosoma mansoni venom allergen-like protein 4 (SmVAL4) is a novel lipid-binding SCP/TAPS protein that lacks the prototypical CAP motifs

The first structure of an S. mansoni venom allergen-like protein is presented.

Pushing the limits of sulfur SAD phasing: de novo structure solution of the N-terminal domain of the ectodomain of HCV E1

The sulfur SAD phasing method was successfully used to determine the structure of the N-terminal domain of HCV E1 from low-resolution diffracting crystals by combining data from 32 crystals.

Processing of X-ray snapshots from crystals in random orientations

A new method for the treatment of partial reflections from X-ray snapshots is implemented in the program package nXDS, which yields intensity data of almost the same quality as those obtained by the classical rotation method.

Weak protein–cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry

The adsorption of Rb⁺, Cs⁺, Mn²⁺, Co²⁺ and Yb³⁺ onto lysozyme has been investigated by mass spectrometry and X-ray crystallography in order to provide evidence for the structural basis of the Hofmeister cation series. The number and type of binding sites have been determined. The effects of cryocooling and glycerol on cation binding are also reported.

Interaction of serum amyloid P component with hexanoyl bis­(D-proline) (CPHPC)

Serum amyloid P component is a pentameric plasma glycoprotein that recognizes and binds to amyloid fibres in a calcium-dependent fashion and is likely to contribute to their deposition and persistence in vivo. Five molecules of the drug CPHPC avidly cross-link pairs of protein pentamers and the decameric complex is rapidly cleared in vivo. Crystal structures of the protein in complex with a bivalent drug and cadmium ions, which improve crystal quality, allow the definition of the preferred bound drug isomers.