Bayesian perspective for orientation determination in cryo-EM with application to structural heterogeneity analysis

A Bayesian perspective on orientation estimation in cryo-EM is presented, with the minimum mean-square error estimator outperforming standard cross-correlation-based approaches, particularly under challenging low signal-to-noise conditions. We demonstrate that improved orientation estimation has a decisive impact on 3D reconstruction quality and structural heterogeneity recovery.

ICECREAM: high-fidelity equivariant cryo-electron tomography

We present ICECREAM, a self-supervised approach that achieves substantially better denoising and more reliable missing-wedge recovery in cryo-ET, while reducing training and inference time relative to comparable baselines.

Automated workflows for strategy computation and data collection at synchrotron beamlines

This paper presents and explains a workflow program for automatically deriving, optimizing and executing complex multi-sweep diffraction experiments for macromolecular crystallography at synchrotron beamlines.

The human TIMP-1 unbound structure provides a platform for fragment screening

The first unbound crystal form of full-length TIMP-1 provides a platform for crystallographic fragment screening-based drug discovery in cancer and multiple sclerosis.

Molecular analysis of 3D domain swapping in the acylphosphatase from Escherichia coli

Structures of the monomer and intertwined dimer of the acylphosphatase from E. coli shed light on the molecular basis of its 3D domain swapping.

Molecular structure and nickel-binding capacity of Proteus mirabilis UreE

This study presents a 2.0 Å resolution crystal structure and determined the nickel-binding capacity of the P. mirabilis nickel chaperone UreE. UreE is essential for the delivery of nickel to the metalloenzyme urease, which is key for the ability of P. mirabilis to cause urinary-tract infections.

Crystal structures of Fsc1, a novel autophagy factor that mediates autophagosome–vacuole fusion in fission yeast

Crystal structures of the autophagy protein Fsc1 reveal conserved fasciclin features and a stable dimer interface that illuminate its possible role as a scaffold in autophagosome–vacuole membrane fusion.

Protein structure of a glycoside hydrolase family 30, subfamily 12 endo-1,4-β-xylanase

This report describes the first protein structure from a new glycoside hydrolase family 30 subfamily which specifically degrades the biomass-derived polysaccharide xylan.

The crystal structure of human transport and Golgi organization 2 homolog (TANGO2) suggests a cysteine N-terminal nucleophile (Ntn) hydrolase

This study reports the first crystal structure of human TANGO2, mutations of which are responsible for TANGO2 deficiency disorder. The crystallographic analysis demonstrates that interactions between heme and TANGO2 are nonspecific, helping to address ongoing questions about the role of TANGO2 as a heme-trafficking protein.

Reminiscences of Phil Bourne (1953–2026) and the IUCr

Phil Bourne is remembered.