NMR and metabolomics—A roadmap for the future

DS Wishart, LL Cheng, V Copié, AS Edison… - Metabolites, 2022 - mdpi.com
Metabolomics investigates global metabolic alterations associated with chemical, biological,
physiological, or pathological processes. These metabolic changes are measured with …

Quantitative NMR-based biomedical metabolomics: Current status and applications

AA Crook, R Powers - Molecules, 2020 - mdpi.com
Nuclear Magnetic Resonance (NMR) spectroscopy is a quantitative analytical tool
commonly utilized for metabolomics analysis. Quantitative NMR (qNMR) is a field of NMR …

Predicting multiple conformations via sequence clustering and AlphaFold2

HK Wayment-Steele, A Ojoawo, R Otten, JM Apitz… - Nature, 2024 - nature.com
Abstract AlphaFold2 (ref.) has revolutionized structural biology by accurately predicting
single structures of proteins. However, a protein's biological function often depends on …

Biological magnetic resonance data bank

JC Hoch, K Baskaran, H Burr, J Chin… - Nucleic acids …, 2023 - academic.oup.com
Abstract The Biological Magnetic Resonance Data Bank (BMRB, https://bmrb. io) is the
international open data repository for biomolecular nuclear magnetic resonance (NMR) …

Structure and drug binding of the SARS-CoV-2 envelope protein transmembrane domain in lipid bilayers

VS Mandala, MJ McKay, AA Shcherbakov… - Nature structural & …, 2020 - nature.com
An essential protein of the SARS-CoV-2 virus, the envelope protein E, forms a
homopentameric cation channel that is important for virus pathogenicity. Here we report a …

Atomic structure of the open SARS-CoV-2 E viroporin

J Medeiros-Silva, AJ Dregni, NH Somberg, P Duan… - Science …, 2023 - science.org
The envelope (E) protein of the SARS-CoV-2 virus forms cation-conducting channels in the
endoplasmic reticulum Golgi intermediate compartment (ERGIC) of infected cells. The …

Systematic identification of conditionally folded intrinsically disordered regions by AlphaFold2

TR Alderson, I Pritišanac, Đ Kolarić… - Proceedings of the …, 2023 - National Acad Sciences
The AlphaFold Protein Structure Database contains predicted structures for millions of
proteins. For the majority of human proteins that contain intrinsically disordered regions …

Histone H3 proline 16 hydroxylation regulates mammalian gene expression

X Liu, J Wang, JA Boyer, W Gong, S Zhao, L **e… - Nature …, 2022 - nature.com
Histone post-translational modifications (PTMs) are important for regulating various DNA-
templated processes. Here, we report the existence of a histone PTM in mammalian cells …

Excited-state observation of active K-Ras reveals differential structural dynamics of wild-type versus oncogenic G12D and G12C mutants

AL Hansen, X **ang, C Yuan… - Nature Structural & …, 2023 - nature.com
Despite the prominent role of the K-Ras protein in many different types of human cancer,
major gaps in atomic-level information severely limit our understanding of its functions in …

Zn-regulated GTPase metalloprotein activator 1 modulates vertebrate zinc homeostasis

A Weiss, CC Murdoch, KA Edmonds, MR Jordan… - Cell, 2022 - cell.com
Zinc (Zn) is an essential micronutrient and cofactor for up to 10% of proteins in living
organisms. During Zn limitation, specialized enzymes called metallochaperones are …