Ins and outs of AlphaFold2 transmembrane protein structure predictions

T Hegedűs, M Geisler, GL Lukács, B Farkas - Cellular and Molecular Life …, 2022 - Springer
Transmembrane (TM) proteins are major drug targets, but their structure determination, a
prerequisite for rational drug design, remains challenging. Recently, the DeepMind's …

[HTML][HTML] One size does not fit all: the past, present and future of cystic fibrosis causal therapies

MM Ensinck, MS Carlon - Cells, 2022 - mdpi.com
Cystic fibrosis (CF) is the most common monogenic disorder, caused by mutations in the CF
transmembrane conductance regulator (CFTR) gene. Over the last 30 years, tremendous …

The role of the degenerate nucleotide binding site in type I ABC exporters

T Stockner, R Gradisch, L Schmitt - FEBS letters, 2020 - Wiley Online Library
ATP‐binding cassette (ABC) transporters are fascinating molecular machines that are
capable of transporting a large variety of chemically diverse compounds. The energy …

Pharmacological chaperones improve intra-domain stability and inter-domain assembly via distinct binding sites to rescue misfolded CFTR

N Baatallah, A Elbahnsi, JP Mornon… - Cellular and Molecular …, 2021 - Springer
Protein misfolding is involved in a large number of diseases, among which cystic fibrosis.
Complex intra-and inter-domain folding defects associated with mutations in the cystic …

Comprehensive collection and prediction of ABC transmembrane protein structures in the AI era of structural biology

H Tordai, E Suhajda, I Sillitoe, S Nair, M Varadi… - International Journal of …, 2022 - mdpi.com
The number of unique transmembrane (TM) protein structures doubled in the last four years,
which can be attributed to the revolution of cryo-electron microscopy. In addition, AlphaFold2 …

Structural Comparative Modeling of Multi-Domain F508del CFTR

EF McDonald, H Woods, ST Smith, M Kim… - Biomolecules, 2022 - mdpi.com
Cystic fibrosis (CF) is a rare genetic disease caused by mutations in the cystic fibrosis
transmembrane conductance regulator (CFTR), an epithelial anion channel expressed in …

Novel gain-of-function mutants identify a critical region within CFTR membrane-spanning domain 2 controlling cAMP-dependent and ATP-independent channel …

S Castanier, A Elbahnsi, B Chevalier… - Cellular and Molecular …, 2024 - Springer
CFTR is an anion channel that has evolved from the mold of an ABC transporter. It
possesses specific structural features, including a lateral portal between the cytoplasmic …

Molecular mechanisms of cystic fibrosis–how mutations lead to misfunction and guide therapy

CM Farinha, I Callebaut - Bioscience Reports, 2022 - portlandpress.com
Cystic fibrosis, the most common autosomal recessive disorder in Caucasians, is caused by
mutations in the cystic fibrosis transmembrane conductance regulator (CFTR) gene, which …

Molecular dynamics study of Cl permeation through cystic fibrosis transmembrane conductance regulator (CFTR)

ZW Zeng, P Linsdell, R Pomès - Cellular and Molecular Life Sciences, 2023 - Springer
The recent elucidation of atomistic structures of Cl− channel CFTR provides opportunities for
understanding the molecular basis of cystic fibrosis. Despite having been activated through …

[HTML][HTML] ATP-Binding Cassette and Solute Carrier Transporters: Understanding Their Mechanisms and Drug Modulation Through Structural and Modeling Approaches

A Elbahnsi, B Dudas, I Callebaut, A Hinzpeter… - Pharmaceuticals, 2024 - mdpi.com
The ATP-binding cassette (ABC) and solute carrier (SLC) transporters play pivotal roles in
cellular transport mechanisms, influencing a wide range of physiological processes and …