Category Ranking
98%
Total Visits
921
Avg Visit Duration
2 minutes
Citations
20
Article Abstract
Standard methods for de novo protein structure determination by nuclear magnetic resonance (NMR) require time-consuming data collection and interpretation efforts. Here we present a qualitatively distinct and novel approach, called Comparative, Objective Measurement of Protein Architectures by Scoring Shifts (COMPASS), which identifies the best structures from a set of structural models by numerical comparison with a single, unassigned 2D (13)C-(13)C NMR spectrum containing backbone and side-chain aliphatic signals. COMPASS does not require resonance assignments. It is particularly well suited for interpretation of magic-angle spinning solid-state NMR spectra, but also applicable to solution NMR spectra. We demonstrate COMPASS with experimental data from four proteins--GB1, ubiquitin, DsbA, and the extracellular domain of human tissue factor--and with reconstructed spectra from 11 additional proteins. For all these proteins, with molecular mass up to 25 kDa, COMPASS distinguished the correct fold, most often within 1.5 Å root-mean-square deviation of the reference structure.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4786943 | PMC |
| http://dx.doi.org/10.1016/j.str.2015.07.019 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Mitochondrial DNA analyses of the golden snapper, Lutjanus johnii (Bloch, 1792), revealed two distinct population stocks in the South China Sea and the Strait of Malacca.
Genetica
September 2025
Faculty of Fisheries and Aquaculture Sciences, Universiti Malaysia Terengganu, Kuala Nerus, Terengganu, Malaysia.
Population genetics plays a critical role in creating policies for managing fisheries, conservation, and development of aquaculture. The golden snapper, Lutjanus johnii (Bloch, 1792), is a highly commercial and aquaculture important snapper species. This study used mitochondrial markers D-loop (151 specimens) and Cytochrome b (Cyt-b, 120 specimens) from 10 populations, including populations from the east South China Sea, the west South China Sea and the Strait of Malacca to investigate the genetic diversity, population connectivity, and historical demography of L.
View Article and Find Full Text PDFUnveiling molecular signatures for precision drug design: machine learning insights from trypanothione reductase, PKC-θ, and CB1.
Mol Divers
September 2025
Department of Biotechnology, National Institute of Technology Raipur, Raipur, Chhattisgarh, 492001, India.
Traditional drug discovery methods like high-throughput screening and molecular docking are slow and costly. This study introduces a machine learning framework to predict bioactivity (pIC₅₀) and identify key molecular properties and structural features for targeting Trypanothione reductase (TR), Protein kinase C theta (PKC-θ), and Cannabinoid receptor 1 (CB1) using data from the ChEMBL database. Molecular fingerprints, generated via PaDEL-Descriptor and RDKit, encoded structural features as binary vectors.
View Article and Find Full Text PDFGenesis, Health Benefits, and Future Perspectives of Probiotics: Exploring Endogenous and Exogenous Classes, Innovations, and Research Gaps.
Probiotics Antimicrob Proteins
September 2025
Operational Research Centre in Healthcare, Near East University, Nicosia, Cyprus.
Probiotics are live beneficial microorganisms that confer health benefits to the host when administered in adequate amounts, have gained considerable scientific and commercial interest for their ability to support gut health, strengthen immunity, and reduce disease risk. This review traces the genesis of probiotic science from its origins in traditional fermented foods to contemporary clinical applications, offering a conceptual understanding of its evolution. A clear distinction is drawn between endogenous probiotics, naturally resident in the human microbiome, and exogenous probiotics, introduced via dietary supplements and functional foods.
View Article and Find Full Text PDFTargeting NLRP3 inflammasome with curcumin: mechanisms and therapeutic promise in chronic inflammation.
Inflammopharmacology
September 2025
Centre for Research Impact & Outcome, Chitkara College of Pharmacy, Chitkara University, Rajpura, Punjab, 140401, India.
The NOD‑like receptor family pyrin domain containing 3 (NLRP3) inflammasome is a key molecular complex that amplifies inflammatory cascades by maturing interleukin‑1 beta (IL-1β) and interleukin‑18 (IL-18) and inducing pyroptosis. It serves as a major driver and co-driver of numerous diseases associated with chronic inflammation. Dysregulated NLRP3 activation contributes to the progression of disorders such as rheumatoid arthritis, inflammatory bowel disease, neurodegenerative diseases and atherosclerosis.
View Article and Find Full Text PDFIdentification of known and novel genetic variants in sensorineural hearing loss: insights from whole exome sequencing in Indian families.
Mol Biol Rep
September 2025
Cytogenetics and Molecular Genetics Lab, Pathology Unit, Medical Division (BARC Hospital), Bhabha Atomic Research Centre, Anushakti Nagar, Mumbai, India.
Background: Hearing loss (HL) is one of the most common congenital anomalies and is a complex etiologically diverse condition. Molecular genetic characterization of HL remains challenging owing to the high genetic heterogeneity. This study aimed to screen for potential disease-causing genetic variations in a cohort of Indian patients with congenital bilateral severe-to-profound sensorineural HL.
View Article and Find Full Text PDF