FEBS Letters, EarlyView.Encapsulins are protein nanocompartments that play an important role in iron storage. In the Myxococcus xanthus encapsulin system, two cargo proteins called EncB and EncC contribute to iron mineralization. Here, we show that EncB and EncC generate iron‐containing minerals with distinct chemical compositions, suggesting that the composition of stored ...
Harry B. McDowell +2 more
wiley +1 more source
Multi-Endpoint Prediction of Bioactivity and ADMET Properties Coupled with Multi-Objective Optimization in Molecular Descriptor Space for Candidate ERα Antagonists. [PDF]
Pharmaceuticals (Basel)Cui Y, Qiao Y, Ren H, Qiu L.
europepmc +1 more source
Structural and biochemical analysis of a B12 superbinder
FEBS Letters, EarlyView.BtuG proteins are vitamin B12 scavengers in Bacteroides thetaiotaomicron, a dominant human gut bacterium. We present crystal structures of three BtuG homologs bound to cobalamin and its precursor cobinamide, revealing picomolar binding affinities, among the highest known for any natural protein.
Jose M. Martinez Felices +3 more
wiley +1 more source
Interpretable Deep Supramolecular Language Modeling for Cocrystal Design: PCA-Augmented <i>DeepCocrystal</i> Screening of Picolinamide, Nicotinamide, and Isonicotinamide Systems. [PDF]
MoleculesBozkurt B +3 more
europepmc +1 more source
FEBS Letters, EarlyView.Mycobacterial 3‐methylcrotonyl‐CoA carboxylase uses a mobile biotin‐carrying domain to shuttle a carboxyl group between two catalytic sites, enabling carboxylation of 3‐methylcrotonyl‐CoA during leucine breakdown. Cryo‐electron microscopy captures the carrier at both sites and reveals an inward loop movement that may prevent futile rebinding to the ...
Ajit Yadav +2 more
wiley +1 more source
Carboxylate-Ligand-Based Coordination Polymers and Metal Complexes: From Structural Diversity and Supramolecular Descriptors to Function-Oriented Design. [PDF]
MoleculesKong X, Wang X, Tai X.
europepmc +1 more source
FEBS Letters, EarlyView.How do genomes gain new functional parts? In eukaryotes, which tend to evolve under weak selection, much of the genome is junk. Palazzo and Qiu borrow the logic of Markov chains to show how non‐functional DNA becomes functional through the appearance of intermediate states, which arise due to epistasis, buffering, and biochemical messiness, allowing ...
Alexander F. Palazzo, Yi Qiu
wiley +1 more source
Implementing the ILAE 2025 seizure taxonomy in medical software. [PDF]
Front Comput NeurosciKnight A, Jousea S, Peltola J.
europepmc +1 more source
The Shewanella oneidensis Fic enzyme SoFic targets the switch‐I region of EF‐Tu for AMPylation
FEBS Letters, EarlyView.Fic enzymes mediate diverse post‐translational modifications across all domains of life, including AMPylation. Prokaryotic EF‐Tu can be AMPylated and deAMPylated by the conserved Fic enzyme SoFic. Structural and biochemical approaches were used to characterize the effect of AMPylation on EF‐Tu, SoFic's enzymatic activities, and the enzyme‐target ...
Svenja Runge +6 more
wiley +1 more source
Ensemble-Based Descriptor Analysis of Flexible Odorants: Conformational Landscapes of Geraniol, Nerol, and Linalool. [PDF]
J Phys Chem ACuadrado-Benavent B +2 more
europepmc +1 more source