ArticlePloS one2011
An allosteric mechanism inferred from molecular dynamics simulations on phospholamban pentamer in lipid membranes.
Article in PloS one, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed.
- Article
- Allosteric Modulation of SERCA Pumps in Health and Disease: Structural Dynamics, Posttranslational Modifications, and Therapeutic Potential.Journal of molecular biology · 2025Review
- Homologous cardiac calcium pump regulators phospholamban and sarcolipin adopt distinct oligomeric states in the membrane.Computational and structural biotechnology journal · 2022Article
- Conserved Luminal C-Terminal Domain Dynamically Controls Interdomain Communication in Sarcolipin.Journal of chemical information and modeling · 2020Article
- Article
- Perturbations of Native Membrane Protein Structure in Alkyl Phosphocholine Detergents: A Critical Assessment of NMR and Biophysical Studies.Chemical reviews · 2018Review
- Accurate Determination of Conformational Transitions in Oligomeric Membrane Proteins.Scientific reports · 2016Article
- Secondary structure, backbone dynamics, and structural topology of phospholamban and its phosphorylated and Arg9Cys-mutated forms in phospholipid bilayers utilizing 13C and 15N solid-state NMR spectroscopy.The journal of physical chemistry. B · 2014Article
- Computational study on the inhibitor binding mode and allosteric regulation mechanism in hepatitis C virus NS3/4A protein.PloS one · 2014Article
- Identification of novel multitargeted PPARα/γ/δ pan agonists by core hopping of rosiglitazone.Drug design, development and therapy · 2014Article
- Probing the interaction of Arg9Cys mutated phospholamban with phospholipid bilayers by solid-state NMR spectroscopy.Biochimica et biophysica acta · 2013Article
- Computational design of glutamate dehydrogenase in Bacillus subtilis natto.Journal of molecular modeling · 2013Article
- Molecular dynamics studies on the conformational transitions of adenylate kinase: a computational evidence for the conformational selection mechanism.BioMed research international · 2013Article
- Find novel dual-agonist drugs for treating type 2 diabetes by means of cheminformatics.Drug design, development and therapy · 2013Article
- Computational study of the effects of protein tyrosine nitrations on the catalytic activity of human thymidylate synthase.Journal of computer-aided molecular design · 2013Article
- Exploration of conformational transition in the aryl-binding site of human FXa using molecular dynamics simulations.Journal of molecular modeling · 2012Article
- Article
- Computational studies on the substrate interactions of influenza A virus PB2 subunit.PloS one · 2012Article
- Insights into the mutation-induced HHH syndrome from modeling human mitochondrial ornithine transporter-1.PloS one · 2012Article
- In vitro transcriptomic prediction of hepatotoxicity for early drug discovery.Journal of theoretical biology · 2011Article
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Phospholamban functions as a regulator of Ca(2+) concentration of cardiac muscle cells by triggering the bioactivity of sarcoplasmic reticulum Ca(2+)-ATPase. In order to understand its dynamic mechanism in the environment of bilayer surroundings, we performed long time-scale molecular dynamic simulations based on the high-resolution NMR structure of phospholamban pentamer. It was observed from the molecular dynamics trajectory analyses that the conformational transitions between the "bellflower" and "pinwheel" modes were detected for phospholamban. Particularly, the two modes became quite similar to each other after phospholamban was phosphorylated at Ser16. Based on these findings, an allosteric mechanism was proposed to elucidate the dynamic process of phospholamban interacting with Ca(2+)-ATPase.
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