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Mapping the FF domain folding pathway via structures of transiently populated folding intermediates.
Proc Natl Acad Sci U S A
December 2024
Tata Institute of Fundamental Research Hyderabad, Ranga Reddy District, Hyderabad 500046, India.
Despite the tremendous accomplishments of AlpaFold2/3 in predicting biomolecular structure, the protein folding problem remains unsolved in the sense that accurate atomistic models of how protein molecules fold into their native conformations from an unfolded ensemble are still elusive. Here, using chemical exchange saturation transfer (CEST) NMR experiments and a comprehensive four-state kinetic model of the folding trajectory of a 71 residue four-helix bundle FF domain from human HYPA/FBP11 we present an atomic resolution structure of a transiently formed intermediate, I2, that along with the structure of a second intermediate, I1, provides a description of the FF domain folding trajectory. By recording CEST profiles as a function of urea concentration the extent of compaction along the folding pathway is evaluated.
View Article and Find Full Text PDFSymmetry, magnetic transitions and multiferroic properties of B-site-ordered AMnB'O perovskites (B' = [Co, Ni]).
Acta Crystallogr B Struct Sci Cryst Eng Mater
December 2024
Instituto de Nanociencia y Materiales de Aragón (INMA),CSIC-Universidad de Zaragoza, 50009 Zaragoza, Spain.
The presence of magnetic atoms at the A and B sites and the coupling between these two spin subsystems in perovskites gives rise to a variety of exciting effects. In particular this coupling attracts interest from the field of novel multiferroic and magnetoelectric oxides. Moreover, magnetic double perovskites presenting cationic order at the B sites incorporate an additional modulation that can favor symmetry breaking, multiferroic, magnetoelectric and polar phases.
View Article and Find Full Text PDFStructural Plasticity within 3-Hydroxy-3-Methylglutaryl Synthases Catalyzing the First Step of β-Branching in Polyketide Biosynthesis Underpins a Dynamic Mechanism of Substrate Accommodation.
JACS Au
October 2024
Université de Lorraine, CNRS, IMoPA, Nancy F-54000, France.
Article Synopsis
- The study focuses on how enzymes, specifically HMG-CoA synthase (HMGCS), have evolved to take on new roles in polyketide biosynthesis, which involves a different substrate interaction than their traditional function.
- Researchers used techniques like X-ray crystallography and small-angle X-ray scattering to show that an HMGS from the virginiamycin system is more flexible compared to its typical counterparts, which is crucial for its ability to handle larger substrates.
- Findings highlight the importance of combining different structural biology methods since existing models like AlphaFold2 failed to accurately predict the enzyme's structural transitions when binding to its natural substrates.
Thermally Induced Irreversible Disorder in Interlayer Stacking of γ-GeSe.
Small
October 2024
Department of Physics, Yonsei University, Seoul, 03722, South Korea.
The interlayer stacking shift in van der Waals (vdW) crystals represents an important degree of freedom to control various material properties, including magnetism, ferroelectricity, and electrical properties. On the other hand, the structural phase transitions driven by interlayer sliding in vdW crystals often exhibit thickness-dependent, sample-specific behaviors with significant hysteresis, complicating a clear understanding of their intrinsic nature. Here, the stacking configuration of the recently identified vdW crystal, γ-GeSe, is investigated, and the disordering manipulation of stacking sequence is demonstrated.
View Article and Find Full Text PDFEffect of Micellar Morphology on the Temperature-Induced Structural Evolution of ABC Polypeptoid Triblock Terpolymers into Two-Compartment Hydrogel Network.
Macromolecules
July 2024
Department of Chemistry and Macromolecular Studies Group, Louisiana State University, Baton Rouge, Louisiana 70803, United States.
Article Synopsis
- Scientists studied how a special type of gel, made from three different building blocks, changes when heated.
- At normal temperatures, these gels form tiny ball-like structures in water.
- When heated, the gel changes shape, forming a network that can look different based on the lengths of the building blocks used to make it.
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