ARTIGOS EM DESTAQUE

Open-access and free articles in IUCrJ

Towards light-coupled sample preparation for time-resolved cryoEM studies 29/06/2026
The dynamic nature of protein and macromolecular complexes means that the capture of multiple sequential states along a reaction pathway can provide much greater insight into function than that obtained from a single static structure. We present a set of modular, easy-to-implement tools and workflows for optical excitation, on-grid characterization and tightly coupled rapid vitrification, […]
Hadjidemetriou, K.
Cryo-EM analysis of cooperative conformational changes in the SARS-CoV-2 spike protein trimer 25/06/2026
The entry of SARS-CoV-2 into cells is mediated by a trimeric spike protein that utilizes its receptor-binding domain (RBD) to engage with the cell surface receptor ACE2, with each protomer capable of shuttling between an `up' conformation that can bind ACE2 and a `down' conformation that prevents ACE2 binding. To discover intermediate conformational states during […]
Wang, Q.
Towards time-resolved MicroED grid preparation using mix-and-inject gas dynamic virtual nozzles 23/06/2026
Recent progress in gas dynamic virtual nozzle (GDVN) technologies in combination with high-brilliance synchrotron and X-ray free-electron lasers (XFELs) has allowed the visualization of protein dynamics in crystallo by mixing macromolecular protein crystals with a substrate using tunable mixing times on the order of milliseconds to seconds prior to serial X-ray diffraction data collection. This […]
Summers, J.A.
How cryoEM has advanced our understanding of bacteriophages and bacteriocins targeting Clostridioides difficile 23/06/2026
We review the structural and functional characteristics of bacteriophages and bacteriocins (diffocins) that specifically target Clostridioides difficile, a significant healthcare concern due to its role in nosocomial infections. The advent of modern cryogenic electron microscopy (cryoEM) has revolutionized our understanding of these contractile injection systems, providing high-resolution insights into their mechanisms. We compare the structures […]
Bullough, P.A.
Cryo-EM-guided subtractive optimization of a novel VCP/p97 inhibitor 22/06/2026
We report the cryo-EM structure-guided discovery of GND-135, a novel small-molecule inhibitor of the VCP/p97 AAA ATPase that demonstrates efficient inhibition of VCP/p97 in biochemical, cellular, and pharmacokinetic assays and in a tumor efficacy mouse model of acute myeloid leukemia. Our approach overcomes the liability in the clinical-stage compound CB-5083 where Phase I studies showed […]
Crawford, J.

Open-access and free articles in Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

Interaction frequencies as a means to design multicomponent forms 01/08/2026
Mazzeo, P.P.
Coupled intra- and inter-tunnel short-range order in hollandites: a case study of mannardite Ba[(Ti4+)6(V3+)2]O16 08/07/2026
Mannardite, Ba[(Ti4+)6(V3+)2]O16, a mineral of the hollandite supergroup, is characterized by a tunnel structure built up from double chains of edge-sharing octahedra. It shows complex order/disorder phenomena that are often related to the occurrence of diffuse scattering, satellite reflections or both. So far, diffuse scattering features have been linked to ordering of large cations in […]
Schmidt, E.M.
Mapping structure–property relationships in a 6-oxo-verdazyl radical by variable pressure crystallography and density functional theory 26/06/2026
The response of the 1,5-tolyl-3-phenyl-6-oxo-verdazyl radical (pTolOV) to pressure in the crystalline state has been investigated using both high-pressure X-ray diffraction techniques and density functional theory (DFT) calculations. Changes in structure, electronic properties such as band gap and density of states, and magnetic exchange interactions have been explored. Structural analysis reveals a phase transition between […]
Brookes, J.R.
High-pressure and high-temperature polymorphism of Na2CO3 up to 10 GPa 23/06/2026
We report two new high-pressure polymorphs of sodium carbonate, ɛ and ɛ-II, stable over ∼2 GPa and 11 GPa, respectively. The ɛ polymorph exhibits a doubling of the c unit-cell parameter relative to the γ and β phases, crystallizes in space group Cc, and has a bulk modulus of 47.6 (8) GPa, comparable to that of the γ phase. […]
Chrappan Soldavini, B.
Interaction Analysis using the Cambridge Structural Database – rapid access to intermolecular hydrogen-bond frequencies and uses for coformer selection 22/06/2026
A new methodology to perform virtual coformer screening, utilising data gathered on hydrogen-bonding interactions present in the organic subset of the Cambridge Structural Database (CSD), is presented. From a target molecule, commonly interacting functional groups are identified from the CSD and appropriate coformers, containing those functional groups, are suggested. The method, available as a script […]
Stevens, J.S.

ARTIGOS EM DESTAQUE

Open-access and free articles in IUCrJ

Open-access and free articles in Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

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