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Fluoroketone Inhibition of Ca(2+)-Independent Phospholipase A(2) through Binding Pocket Association Defined by Hydrogen/Deuterium Exchange and Molecular Dynamics

[Image: see text] The mechanism of inhibition of group VIA Ca(2+)-independent phospholipase A(2) (iPLA(2)) by fluoroketone (FK) ligands is examined by a combination of deuterium exchange mass spectrometry (DXMS) and molecular dynamics (MD). Models for iPLA(2) were built by homology with the known st...

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Autors principals: Hsu, Yuan-Hao, Bucher, Denis, Cao, Jian, Li, Sheng, Yang, Sheng-Wei, Kokotos, George, Woods, Virgil L., McCammon, J. Andrew, Dennis, Edward A.
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2012
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3561773/
https://ncbi.nlm.nih.gov/pubmed/23256506
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja306490g
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