[HTML][HTML] AlphaFill: enriching AlphaFold models with ligands and cofactors

ML Hekkelman, I de Vries, RP Joosten, A Perrakis - Nature Methods, 2023 - nature.com
Artificial intelligence-based protein structure prediction approaches have had a
transformative effect on biomolecular sciences. The predicted protein models in the …

[HTML][HTML] AlphaFold predictions are valuable hypotheses and accelerate but do not replace experimental structure determination

TC Terwilliger, D Liebschner, TI Croll, CJ Williams… - Nature …, 2024 - nature.com
Artificial intelligence-based protein structure prediction methods such as AlphaFold have
revolutionized structural biology. The accuracies of these predictions vary, however, and …

[PDF][PDF] A global Ramachandran score identifies protein structures with unlikely stereochemistry

OV Sobolev, PV Afonine, NW Moriarty, ML Hekkelman… - Structure, 2020 - cell.com
Ramachandran plots report the distribution of the (ϕ, ψ) torsion angles of the protein
backbone and are one of the best quality metrics of experimental structure models. Typically …

Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut

A Bell, J Brunt, E Crost, L Vaux, R Nepravishta… - Nature …, 2019 - nature.com
Sialic acid (N-acetylneuraminic acid (Neu5Ac)) is commonly found in the terminal location of
colonic mucin glycans where it is a much-coveted nutrient for gut bacteria, including …

IDPConformerGenerator: a flexible software suite for sampling the conformational space of disordered protein states

JMC Teixeira, ZH Liu, A Namini, J Li… - The Journal of …, 2022 - ACS Publications
The power of structural information for informing biological mechanisms is clear for stable
folded macromolecules, but similar structure–function insight is more difficult to obtain for …

[HTML][HTML] Fucosidases from the human gut symbiont Ruminococcus gnavus

H Wu, O Rebello, EH Crost, CD Owen… - Cellular and Molecular …, 2021 - Springer
The availability and repartition of fucosylated glycans within the gastrointestinal tract
contributes to the adaptation of gut bacteria species to ecological niches. To access this …

[HTML][HTML] Analysis and validation of overall N-glycan conformation in Privateer

JS Dialpuri, H Bagdonas, M Atanasova… - … Section D: Structural …, 2023 - scripts.iucr.org
The oligosaccharides in N-glycosylation provide key structural and functional contributions
to a glycoprotein. These contributions are dependent on the composition and overall …

[PDF][PDF] AlphaFold predictions: great hypotheses but no match for experiment

TC Terwilliger, D Liebschner, TI Croll, CJ Williams… - BioRxiv, 2022 - researchgate.net
AI-based methods such as AlphaFold have raised the possibility of using predicted models
in place of experimentally-determined structures. Here we assess the accuracy of AlphaFold …

[HTML][HTML] Autosomal dominant tubulointerstitial kidney disease with adult onset due to a novel renin mutation mapping in the mature protein

C Schaeffer, C Izzi, A Vettori, E Pasqualetto… - Scientific Reports, 2019 - nature.com
Autosomal dominant tubulointerstitial kidney disease (ADTKD) is a genetically
heterogeneous renal disorder leading to progressive loss of renal function. ADTKD-REN is …

The use of local structural similarity of distant homologues for crystallographic model building from a molecular-replacement solution

G Chojnowski, K Choudhury, P Heuser… - … Section D: Structural …, 2020 - scripts.iucr.org
The performance of automated protein model building usually decreases with resolution,
mainly owing to the lower information content of the experimental data. This calls for a more …