Comment on Photosystem II: light-dependent oscillation of ligand composition at its active site: existence of O6 in S₃-state photosystem II revealed by omit maps

We reanalyzed our XFEL data, the results of which showed the insertion of O6 during the S₂–S₃ transition in water oxidation by photosystem II. These results contradict the interpretation proposed by Wang that there is no insertion of O6 during the S₂–S₃ transition.

The evolving role of structural biology in pharma: integration of X-ray crystallography, cryo-electron microscopy and beyond

This review describes how an integrated structural biology platform at Merck Sharp & Dohme LLC, Rahway, New Jersey, USA, combining X-ray crystallography, cryo-EM, MicroED and cryo-ET, enables seamless three-dimensional insights from molecular to cellular length scales. By uniting ex situ and in situ approaches with AI/ML-enabled data integration, the platform directly informs target selection, structure-based drug design, formulation strategies and mechanism-of-action studies across multiple therapeutic areas. These advances illustrate a scalable and impactful framework for accelerating mechanism-based, next-generation therapeutic discovery and development.

Structural insights into urocanate reductase using room-temperature X-ray crystallography

The active-site dynamics of the microbial enzyme urocanate reductase were revealed by room-temperature X-ray crystallography.

Peptide binding at the gasdermin D exosite reveals the structural basis for targeting the site

We describe the first structure of gasdermin D with a putative caspase inhibitor peptide analog at 1.6 Å resolution. This work suggests potential druggability of gasdermin D at the exosite by leveraging structure-based computational design with biochemical characterization.

Definition of the catalytic cleft and product profile of a GH5_5 cellulase from Thermoascus aurantiacus

This study describes the transglycosylase activity of Ta_Cel5A, a GH5_5 cellulase from the ascomycete T. aurantiacus. Its structure was solved in complex with various ligands, revealing the displacement of catalytically relevant residues during formation of the glycosyl-enzyme intermediate.

Rational acquisition of laboratory equipment: an accurate mathematical model to estimate the trade-offs in shared and nonshared equipment

We present a quantitative framework combining cost modelling and queueing theory to estimate hourly access costs, waiting times and congestion levels for shared high-end scientific equipment. The approach is general, illustrated with cryo-electron microscopy examples, and implemented in an open-access online calculator to support evidence-based equipment planning.

Structural basis for high-affinity inhibitor binding to lipid kinases PIP4K2A and PIP4K2B

The crystal structure of PIP4K2A bound to a potent dual PIP4K2A/PIP4K2B inhibitor reveals a water-mediated interaction that constrains ligand orientation within the specificity pocket. Comparative analysis with a PIP4K2A-selective inhibitor identifies structural features that underlie isoform-dependent inhibitor binding and inform structure-guided optimization.

A novel fusion tool to enable G protein-coupled receptor structure determination

The development of a new fusion tool in which a β-lactamase fusion tag and a binding partner enabled the structure determination of an antagonist-bound G protein-coupled receptor by cryo-EM is reported.

Photoisomerization detected in a fully wavelength-tunable rhodopsin mimic system

The mechanism of retinal photoswitching is illuminated in a designed rhodopsin mimic. Two mechanisms, a conventional cis–trans isomerization and an unprecedented `photodehydration', are observed at atomic resolution in single crystals.

Cefdinir binding to a class A β-lactamase revealed by serial cryo-crystallography

Serial cryo-crystallography reveals the structure of the extended-spectrum β-lactamase CTX-M-14 in complex with the third-generation cephalosporin antibiotic cefdinir.

Cryo-EM structure of ALC1 in an open conformation bound to a PARylated nucleosome

Reanalysis of a publicly available cryo-EM dataset identifies a new conformation of the oncogenic chromatin remodeler ALC1/CHD1L bound to a PARylated nucleosome. This new structure reveals the position of the macro domain in the complex, and may help to understand the large conformational change leading to the activation of ALC1.