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Investigating crystalline materials often requires calculations for many variations of a system, substantially increasing the computational burden. By training a transferable neural wavefunction across these variations, the cost can be reduced by approximately 50-fold for systems such as graphene and lithium hydride.

CRISPR/Cas9-based homing gene drives have emerged as a potential new approach to mosquito control. Here the authors use transgenic lines with germline-specific regulatory elements to express Cas9 and achieve up to 94% inheritance bias, closing the gap between A. aegyptidrives and the highly efficient drives observed in Anopheles species.

Using activity-based chemical probes, oncogenic IDH1-R132H but not the wild type was found to acquire a unique autopalmitoylation at C269. This mutant-specific modification is critical for the enzyme’s abnormal activity in cancer.

PPARγ regulates glucose and lipid metabolism, yet safer PPARγ-targeted insulin sensitizers are needed to treat metabolic disorders. Here, Kuang-Ting et al. elucidate structure–function relationships of non-covalent inverse agonists that enhance receptor binding and improve insulin sensitivity, providing a framework for next-generation drug design.

High-voltage, anode-free sodium metal batteries combine high energy density and sustainability, but the lack of suitable electrolytes hinders their application. This work formulates an eco-friendly electrolyte design that supports exciting performance in such batteries.

The volatile odorant 2- methylisoborneol is one of the most abundant terpenoid natural products found in nature. Here, the authors report biochemical and structural data showing that bacterial 2-methylisoborneol biosynthesis is compartmentalized inside a megadalton encapsulin protein compartment.

Estrogen receptor α is a primary driver of ER+ breast cancer and reproductive development. Here, the structure of the apo state is reported, providing a revised model for ligand-dependent and -independent regulation of receptor function.

Most schemes for three-dimensional (3D) structure determination of an object require multiple measurements over various orientations, or a means of scanning it section by section. A 3D imaging modality, termed ankylography, is now presented that under certain circumstances enables complete 3D structure determination from a single diffraction measurement. This approach could find broad applications in the physical and life sciences.

Water-vapor interfaces have been studied with many techniques, yet open questions persist about their electronic and molecular structure. Here, the authors demonstrate the application of soft x-ray second harmonic generation to study the water surface by leveraging attosecond pulses at the LCLS and a flat liquid sheet microjet, providing insights on the H-bond structure.

Azeotropic separations of organic mixtures are of interest for chemical manufacturing, though conventional methods must overcome energy-intensive phase transitions. Here the authors, design a pressure driven membrane using spirocyclic poly(vinylene ether ketone) material to separate alcohol-hydrocarbon mixtures.

Here they show that mitochondria-localized NEK7 couples mitochondrial complex II subunit SDHB to maintain the homeostasis of electron transport in hepatocytes, thereby impeding the progression of liver fibrosis.

Polymer solid-state batteries operable across low and high temperatures face sluggish ion transport limitations. The authors develop a fluorinated polymer electrolyte with tailored Li–F/O coordination that decouples ion conduction from polymer relaxation, enabling stable Li metal cell operation from −50 to 70 °C.

Bacterial resistance to polymyxin antibiotics is conferred by enzymes such as phosphoethanolamine transferases, which add positively charged phosphoethanolamine to lipid A. Here, the authors present the structure of one such enzyme in its liganded form, and propose an enzymatic mechanism that may be generally applicable to other phosphoform transferases.

Multidrug efflux pumps help bacteria survive stress and promote antibiotic resistance. Here, authors define the molecular detail of an anaerobic-connected pump MdtF uncovering acid-responsive activity which may enable toxin control in certain niches.

Pathogenic variants in UNC13A underlie a novel neurodevelopmental syndrome, with three subtypes defined by distinct genotypes with varying clinical and functional impacts characterized in cellular and animal models.

The location of EGFR exon 20 loop insertions (EGFRex20ins) has been shown to alter sensitivity to lung cancer therapy. Here, the authors report the results of the ZENITH20 clinical trial investigating poziotinib (EGFR TKI) in lung cancer patients and, combining with a similar trial, investigate how structural differences due to location of EGGFRex20ins alters sensitivity to EGFR TKI.

Understanding incipient plasticity has been experimentally limited by spatial and temporal resolution. Here the authors report ultra-fast, in situ electron diffraction measurement of dislocation defect dynamics in the early stage of plastic deformation in Al under laser-driven compression.

Decreasing salt-to-solvent molar ratio without sacrificing electrochemical performance remains a challenge in high-performance lithium metal batteries. Here, authors show that compatibility of fluorobenzene-diluted 1,2-dimethoxyethane-based electrolyte with Li metal is reduced in smaller salt-to-solvent molar ratios and design a fluorobenzene-diluted dimethyl acetal-based electrolyte with significantly enhanced stability towards Li metal under a reduced Li salt concentration.

An algorithm has been developed that can provably predict the lowest energy structure of crystalline materials using a combination of combinatorial optimization and integer programming.

Polar skyrmions are nanoscale topological structures of electric polarizations. Their collective modes, dubbed as “skyrons”, are discovered by the terahertz-field-excitation, femtosecond x-ray diffraction measurements and advanced modeling.

The management of ulcerative colitis (UC) remains challenging due to the complexity of its etiology. Here, the authors establish that argininosuccinate synthetase 1 (ASS1) and its metabolite arginine are pivotal inducers of UC, through the triggering of mTOR and iNOS activation, and the induction of gut microbiota dysbiosis by metabolomics and proteomics. Inhibition of ASS1 by C-01 provides a viable strategy for the treatment of UC.

Multiple freezing–melting pathways of ice VI are found at room temperature, occurring via the ice XXI and ice VII phases. Supercompressed water structurally evolves from high-density water to very-high-density water.

Human MATE1 is a key transporter in kidney and liver drug clearance. Here, authors present cryo-EM structures of MATE1 in complex with substrates and an inhibitor, revealing the structural basis of drug recognition.

Aqueous zinc batteries possess advantages in safety, cost and environmental friendliness. To address side reaction, limited cycle life and other challenges, the authors formulate a dual-salt electrolyte that decouples the interfacial electrolyte from the bulk, enabling suppressed hydrogen evolution, fast zinc transport and resilience against low temperature.

Monoclonal antibodies targeting the conserved neuraminidase catalytic site mimic sialic acid and use coordinated water molecules to inhibit diverse influenza A and B viruses, including H5N1, providing broad prophylactic protection in mice.

Liquid and gas phases are indistinguishable at supercritical conditions. Here, Gallo et al.show that this convention is not precisely true for supercritical water on approaching its critical point due to the existence of the Widom line, which separates a liquid-like and a gas-like regime on its two sides.

Dietary n-6 PUFAs enhance adipose tissue expandability through the PPARγ–LPCAT3 membrane remodelling axis.

Stable solid-electrolyte interphases are crucial for lithium-metal batteries but often depend on costly and environmentally harmful fluorinated reagents. Here, the authors develop a fluorine-free polymer electrolyte that forms a highly stable O/N-rich SEI, significantly enhancing the battery cycling performance.

Viral capsids need to protect the genome against harsh environmental conditions and cope with high internal pressure from the packaged genome. Here, the authors determine the structure of the thermostable phage P74-26 capsid at 2.8-Å resolution and identify features underlying enhanced capsid capacity and structural stability.

This manuscript describes the structure of an endocannabinoid analog-bound CB1 complex and reveals the structural determinants of ligand efficacy. The activation mechanism, unique to CB1, that is exploited by allosteric modulators is also outlined.

The authors identify a single main-chain hydrogen bond required to keep GABA_A receptors closed in the absence of neurotransmitter. Electrophysiology and molecular dynamics simulations suggest disruption of this bond is a key component of channel opening during inhibitory synaptic signaling in the brain.

Garnet-type LLZO electrolytes are considered among the most promising solid-state electrolytes for all-solid-state batteries; however, numerous challenges need to be addressed before they are integrated into a cell. By precipitating amorphous zirconium oxide onto grain boundaries, increased ionic conductivity is observed and dendrite growth is suppressed.

Electrochemical reduction of CO₂ in acidic conditions offers high utilization but is hindered by competing hydrogen evolution. Here, the authors demonstrate a nickel-based catalyst that regulates interfacial water, enabling efficient and durable CO₂ conversion to CO.

4D-scanning transmission electron microscopy uses diffractive imaging for structural studies. Here, authors study single particle cryo-EM protein samples at up to 5.8 Å resolution, using 4D-STEM and ptychography data processing.

Peroxidase encapsulins are self-assembling protein compartments involved in oxidative stress response found in many pathogens. Here, the authors characterize the structural basis of peroxidase encapsulation inside the Klebsiella pneumoniae encapsulin.

It is unknown how GPR161, an orphan receptor involved in Hedgehog signaling, is activated. This study identifies a sterol that promotes GPR161-driven cAMP signaling but shows that cAMP is dispensable for Hedgehog pathway repression.

CaMKII is a key enzyme in brain, heart, and egg cells, regulated by calcium signals. Here, authors show that charged residues in the variable linker tune CaMKII activity, a mechanism that may underlie cell type–specific responses.

The nuclear receptor REV-ERBα is a receptor for heme and plays a role in a range of physiological processes. Here, the authors provide the first structure of REV-ERB bound to a synthetic nonporphyrin ligand defining key mechanistic differences to how heme binds.

The isolation of a crystalline radical cation carbon(I) species, generated via single-electron transfer between a carbodicarbene and a nitroaromatic compound, is reported. The resulting radical ion pair can mediate various C–O and C–C cross-coupling reactions with electron-deficient arenes bearing a leaving group.

Self-healing materials promise commercial success if they can balance fatigue resistance and stiffness for industrial applications. Here, the authors develop a multiscale interlinked structure using an MXene framework within a polyurethane matrix, achieving high fatigue resistance, rapid self-healing, and enhanced stability.

The cryo-electron microscopy structure of mouse MFSD2A sheds light on the mechanism that underlies its lipid transport functions, which have a pivotal role in regulating the blood–brain barrier.

NanoLuc luciferase is a popular bioluminescent enzyme, but the molecular details of its mechanism of action on luciferins such as coelenterazine remained elusive. Here the authors use, protein crystal structures and biochemical analyses to provide an atomistic description of its catalytic mechanism and allosteric behaviour.

Rpn13 helps proteasomes capture ubiquitinated substrates. Here, the authors find that as Rpn13 binds to ubiquitin chains, it can interact broadly with disordered segments in the substrate. These low affinity interactions are lost as Rpn13 binds proteasomes to enable a substrate hand-off mechanism.

Here, the authors quantify the effect of cryo-EM data acquisition with stage-tilt on the global resolution of reconstructions and present a tool for predicting an optimal stage-tilt angle to ameliorate the effects of preferred specimen orientation.

Class F receptors are therapeutic targets in human disease and understanding their structural changes during receptor activation may provide important pharmacological insight. Here, the authors combine computational and experimental methods to identify a molecular switch in TM6/7 of Class F receptors that mediates receptor activation.

Porous graphene integrated into graphene oxide membranes yields smart molecular sieves that switch separation based on the solvent. This allows for graded separations of different-sized molecules.

Biased signaling in κ-opiod receptors (KOR) offer an attractive strategy for pain management. Here the authors identify determinants of KOR signaling bias using structural methods in combination with molecular dynamics simulations.