A structural overview of the zinc transporters in the cation diffusion facilitator family

A summary is provided of the last five years of structural studies of bacterial YiiP, providing an overview of how zinc-transporter membrane proteins operate at the molecular level.

Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data

A method has been developed to combine quantum-mechanical calculations with joint crystallographic refinement against X-ray and neutron data. Applications to structures of the galectin-3C–lactose complex and lytic polysaccharide monooxygenase show that it can improve the geometry of hydrogen bonds, particularly those involving water molecules, as well as determine the protonation states of key residues.

Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95

Crystal structures of the third PDZ domain of the neuronal postsynaptic density protein 95 lacking the third α-helix, and of the D332P and D332G variants show conformational plasticity.

The third structural switch in the archaeal translation initiation factor 2 (aIF2) molecule and its possible role in the initiation of GTP hydrolysis and the removal of aIF2 from the ribosome

The structure of the γ subunit of aIF2 (aIF2γ) in complex with GTPCP obtained in the absence of Mg²⁺ ions in the crystallization solution was determined and new information about the role of Mg²⁺ ions in the function of aIF2γ was provided. A new functional region (switch 3) of aIF2γ was discovered.

Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse

Vitamin B₆ is a vital micronutrient for all organisms. Here, the structure of the complex of the pseudoenzyme PDX1.2 with the vitamin B₆ biosynthesis protein PDX1.3 from Arabidopsis is presented.

Building and rebuilding N-glycans in protein structure models

Carbohydrates are automatically built and rebuilt using Coot in the PDB-REDO pipeline.

High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean

The glycoside hydrolase family 45 (GH45) subfamily B endoglucanase EG27II from the snail Ampullaria crossean was expressed using a Pichia pastoris expression system and the crystal structure of the apo form was determined at 1.00 Å resolution; this is the highest resolution structure of an animal endoglucanase to date.

Nitrosative stress sensing in Porphyromonas gingivalis: structure of and heme binding by the transcriptional regulator HcpR

HcpR is required for the growth of Porphyromonas gingivalis in the presence of nitrosative stress and survival with host cells. To determine the molecular mechanisms of its action, the crystal structure of the sensing domain of the regulator was determined, the full length was examined with emphasis on the DNA-binding domain using SAXS, and the heme-binding properties of the regulator were defined.

Announcing mandatory submission of PDBx/mmCIF format files for crystallographic depositions to the Protein Data Bank (PDB)

This letter announces that PDBx/mmCIF format files will become mandatory for crystallographic depositions to the Protein Data Bank (PDB).