{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Zelnik ID"],"funding":["Israel Science Foundation","1. The Dr. Barry Sherman Institute for Medicinal Chemistry. 2. A donation in memory of Sam Switzer.","Minerva Foundation","The Walt and Rowena Shaw Foundation."],"pagination":["2330"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10122649"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["14(1)"],"pubmed_abstract":["Until now, membrane-protein stabilization has relied on iterations of mutations and screening. We now validate a one-step algorithm, mPROSS, for stabilizing membrane proteins directly from an AlphaFold2 model structure. Applied to the lipid-generating enzyme, ceramide synthase, 37 designed mutations lead to a more stable form of human CerS2. Together with molecular dynamics simulations, we propose a pathway by which substrates might be delivered to the ceramide synthases."],"journal":["Nature communications"],"pubmed_title":["Computational design and molecular dynamics simulations suggest the mode of substrate binding in ceramide synthases."],"pmcid":["PMC10122649"],"funding_grant_id":["1844","1466/19"],"pubmed_authors":["Dingjan T","Weinstein JJ","Zelnik ID","Mestre B","Ben-Dor S","Futerman AH","Izrailov S","Fleishman SJ"],"additional_accession":[]},"is_claimable":false,"name":"Computational design and molecular dynamics simulations suggest the mode of substrate binding in ceramide synthases.","description":"Until now, membrane-protein stabilization has relied on iterations of mutations and screening. We now validate a one-step algorithm, mPROSS, for stabilizing membrane proteins directly from an AlphaFold2 model structure. Applied to the lipid-generating enzyme, ceramide synthase, 37 designed mutations lead to a more stable form of human CerS2. Together with molecular dynamics simulations, we propose a pathway by which substrates might be delivered to the ceramide synthases.","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Apr","modification":"2026-05-29T02:24:20.916Z","creation":"2025-02-19T04:16:00.055Z"},"accession":"S-EPMC10122649","cross_references":{"pubmed":["37087500"],"doi":["10.1038/s41467-023-38047-x"]}}