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An easy-to-use three-dimensional protein-structure-prediction online platform "DPL3D" based on deep learning algorithms.
Curr Res Struct Biol
June 2025
The College of Health Humanities, Jinzhou Medical University, Jinzhou, 121001, China.
The change in the three-dimensional (3D) structure of a protein can affect its own function or interaction with other protein(s), which may lead to disease(s). Gene mutations, especially missense mutations, are the main cause of changes in protein structure. Due to the lack of protein crystal structure data, about three-quarters of human mutant proteins cannot be predicted or accurately predicted, and the pathogenicity of missense mutations can only be indirectly evaluated by evolutionary conservation.
View Article and Find Full Text PDFNovel D-Ribofuranosyl Tetrazoles: Synthesis, Characterization, In Vitro Antimicrobial Activity, and Computational Studies.
ACS Omega
January 2025
Applied Chemistry and Environment Laboratory, Applied Bioorganic Chemistry Team, Faculty of Science, Ibn Zohr University, Agadir 80000, Morocco.
The goal of this study was to synthesize and evaluate new antimicrobial compounds. We specifically focused on the development of 2,5-disubstituted tetrazole derivatives containing the O-methyl-2,3-O-isopropylidene-(D)-ribofuranoside groups through N-alkylation reactions. The synthesized compounds were characterized using H and C nuclear magnetic resonance (NMR) spectroscopy.
View Article and Find Full Text PDFAn isolable boron-centered radical anion stabilized by a carbazole moiety.
Dalton Trans
January 2025
Hebei Center for New Inorganic Optoelectronic Nanomaterial Research, Hebei Key Laboratory of Heterocyclic Compounds, College of Chemical Engineering and Materials, Handan University, Handan 056002, P. R. China.
The isolation of a stable persistent carbazole-stabilized boron-centered monoradical anion 1˙, which has a high spin density at the B atom, has been reported. It is characterized using the crystal structure and UV-vis absorption spectrum, as well as electron paramagnetic resonance spectroscopy. Interestingly, the B-N bond was activated by the boron-centered radical anion 1˙, which had not been reported before.
View Article and Find Full Text PDFPhase transition and superconductivity of selenium under pressure.
Phys Chem Chem Phys
January 2025
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China.
Although a substantial amount of research has been conducted to unravel the structural configurations of selenium under pressure, the exquisite sensitivity of selenium's p-orbital electrons to this external force, leading to a plethora of structural variations, leaves several intermediary phases still shrouded in mystery. We, herein, systematically identify the structural and electronic transformations of selenium under high pressure up to 300 GPa, employing crystal structure prediction in conjunction with first-principles calculations. Our results for the transition sequence (321 → 2/ → 3̄ → 3̄) of selenium are in good agreement with experimental ones.
View Article and Find Full Text PDFEngineered protein G variants for multifunctional antibody-based assemblies.
Protein Sci
February 2025
Department of Biochemistry and Molecular Biology, The University of Chicago, Chicago, Illinois, USA.
We have developed a portfolio of antibody-based modules that can be prefabricated as standalone units and snapped together in plug-and-play fashion to create uniquely powerful multifunctional assemblies. The basic building blocks are derived from multiple pairs of native and modified Fab scaffolds and protein G (PG) variants engineered by phage display to introduce high pair-wise specificity. The variety of possible Fab-PG pairings provides a highly orthogonal system that can be exploited to perform challenging cell biology operations in a straightforward manner.
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