Results 91 to 100 of about 132,637 (291)
Cinnamic‐hydroxamic‐acid derivatives (CHADs) are identified as novel inhibitors of the bacterial nucleoid‐associated protein HU, exhibiting potent antibacterial, anti‐biofilm (both inhibition and eradication), and DNA relaxation (anti‐supercoiling) activities. Moreover, CHADs demonstrate strong synergistic effects with multiple antibiotics.
Huan Chen +22 more
wiley +1 more source
Structure‐Based Development of Ultra‐Broad‐Spectrum 3C‐Like Protease Inhibitors
This study provides an in‐depth analysis of the substrate binding pocket of 3CLpros across all coronavirus species using bioinformatics and structural insights, revealing the critical impact of S2/S4 subsite diversity on the broad‐spectrum activity of approved therapeutics.
Haixia Su +15 more
wiley +1 more source
Label‐Free Molecular Characterization of Protein Aggregates in Differentiated Astrocytes
Mid‐infrared photothermal microscopy enables label‐free structural, molecular, and functional imaging of protein aggregates in astrocyte cells. The processes of astrocytes differentiated on a nanomaterial interface are characterized by α‐helical signatures combined with enhanced interfacial thermal resistance properties, while the cell soma of non ...
Panagis D. Samolis +9 more
wiley +1 more source
Atomic‐Scale Insights into Yttrium‐Induced Grain Boundary Structure Modification in Al2O3
Using advanced STEM characterization combined with NNP‐based MCMD calculations, it is revealed that Y segregation at ∑13 Al2O3 GB involves not only simple substitution of Y for Al atoms but also structural adaptation with a change in GB atomic density, leading to minimized excess volume and lowest GB energy.
Jingyuan Yan +7 more
wiley +1 more source
We report the biochemical, structural, and functional characterization of the protein coded by gene PA4880 in the P. aeruginosa PAO1 genome. The PA4880 gene had been annotated as coding a probable bacterioferritin.
Nimesha Rajapaksha +9 more
doaj +1 more source
Backdoor opening mechanism in acetylcholinesterase based on X‐ray crystallography and molecular dynamics simulations [PDF]
Benoît Sanson +7 more
openalex +1 more source
Pink-beam serial femtosecond crystallography for accurate structure-factor determination at an X-ray free-electron laser [PDF]
Karol Nass +17 more
openalex +1 more source
Low‐affinity antibodies are frequently disregarded in discovery pipelines. This work reports P5‐1C8, a Class 1 SARS‐CoV‐2 antibody with weak trimer binding (KD‐to‐IC50 > 3700‐fold) yet potent neutralization of Omicron JN.1. Structural, biophysical, functional, and coarse‐grained simulations collectively demonstrate that transient inter‐spike IgG ...
Niannian Lv +29 more
wiley +1 more source
Cryo‐EM analysis reveals an asymmetric MMOH–MMOB complex with distinct protomers, where MMOB binding triggers structural rearrangements from the surface to the active site. This conformational asymmetry shortens the Fe···Fe distance to 2.7 Å in one protomer, forming a geometry suitable for O2 activation and supporting a sequential catalytic mechanism ...
Yunha Hwang +9 more
wiley +1 more source
Hidden Charge‐Order in the Mixed‐Valent K0.75Li2Cr6O12 High‐Pressure Oxide
K0.75Li2Cr6O12 is one of the few mixed valent chromium oxides. It shows a single angle spiral magnetic structure with a k = [1/3 1/3 ¼] propagation vector. Density functional theory reveals a hidden charge order that is necessary to stabilize the antiferromagnetic (AFM) ground state.
Angel M. Arévalo‐López +3 more
wiley +1 more source

