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• W2043673791 abstract "The cystic fibrosis transmembrane conductance regulator (CFTR) is an unusual ABC transporter, functioning as a chloride channel critical for fluid homeostasis in multiple organs. Disruption of CFTR function is associated with cystic fibrosis making it an attractive therapeutic target. In addition, CFTR blockers are being developed as potential antidiarrheals. CFTR drug discovery is hampered by the lack of high resolution structural data, and considerable efforts have been invested in modeling the channel structure. Although previously published CFTR models that have been made publicly available mostly agree with experimental data relating to the overall structure, they present the channel in an outward-facing conformation that does not agree with expected properties of a channel-like structure. Here, we make available a model of CFTR in such a channel-like conformation, derived by a unique modeling approach combining restrained homology modeling and ROSETTA refinement. In contrast to others, the present model is in agreement with expected channel properties such as pore shape, dimensions, solvent accessibility, and experimentally derived distances. We have used the model to explore the interaction of open channel blockers within the pore, revealing a common binding mode and ionic interaction with K95, in agreement with experimental data. The binding-site was further validated using a virtual screening enrichment experiment, suggesting the model might be suitable for drug discovery. In addition, we subjected the model to a molecular dynamics simulation, revealing previously unaddressed salt-bridge interactions that may be important for structure stability and pore-lining residues that may take part in Cl(-) conductance." @default.
• W2043673791 created "2016-06-24" @default.
• W2043673791 creator A5007039649 @default.
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• W2043673791 creator A5081911308 @default.
• W2043673791 date "2012-07-12" @default.
• W2043673791 modified "2023-10-01" @default.
• W2043673791 title "New Model of Cystic Fibrosis Transmembrane Conductance Regulator Proposes Active Channel-like Conformation" @default.
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• W2043673791 cites W1989101763 @default.
• W2043673791 cites W1989415425 @default.
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• W2043673791 doi "https://doi.org/10.1021/ci2005884" @default.
• W2043673791 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22747419" @default.
• W2043673791 hasPublicationYear "2012" @default.
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