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Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics
Retroviral capsid proteins are conserved structurally but assemble into different morphologies. The mature human immunodeficiency virus-1 (HIV-1) capsid is best described by a ‘fullerene cone’ model,Expand
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CryoEM and computer simulations reveal a novel kinase conformational switch in bacterial chemotaxis signaling
Chemotactic responses in bacteria require large, highly ordered arrays of sensory proteins to mediate the signal transduction that ultimately controls cell motility. A mechanistic understanding ofExpand
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Ictal propagation of high frequency activity is recapitulated in interictal recordings: Effective connectivity of epileptogenic networks recorded with intracranial EEG
Seizures are increasingly understood to arise from epileptogenic networks across which ictal activity is propagated and sustained. In patients undergoing invasive monitoring for epilepsy surgery,Expand
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Zipping and unzipping of adenylate kinase: atomistic insights into the ensemble of open<-->closed transitions.
Adenylate kinase (AdK), a phosphotransferase enzyme, plays an important role in cellular energy homeostasis. It undergoes a large conformational change between an open and a closed state, even in theExpand
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CryoEM structure of MxB reveals a novel oligomerization interface critical for HIV restriction
CryoEM structure of MxB tubes at 4.6 Å resolution reveals novel interfaces responsible for assembly and anti–HIV-1 activity. Human dynamin–like, interferon-induced myxovirus resistance 2 (Mx2 or MxB)Expand
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Molecular dynamics simulations of large macromolecular complexes.
Connecting dynamics to structural data from diverse experimental sources, molecular dynamics simulations permit the exploration of biological phenomena in unparalleled detail. Advances in simulationsExpand
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Inositol phosphates are assembly co-factors for HIV-1
A short, 14-amino-acid segment called SP1, located in the Gag structural protein1, has a critical role during the formation of the HIV-1 virus particle. During virus assembly, the SP1 peptide andExpand
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Quenching protein dynamics interferes with HIV capsid maturation
Maturation of HIV-1 particles encompasses a complex morphological transformation of Gag via an orchestrated series of proteolytic cleavage events. A longstanding question concerns the structure ofExpand
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Length of encapsidated cargo impacts stability and structure of in vitro assembled alphavirus core-like particles
Abstract In vitro assembly of alphavirus nucleocapsid cores, called core-like particles (CLPs), requires a polyanionic cargo. There are no sequence or structure requirements to encapsidateExpand
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Dynamic allostery governs cyclophilin A–HIV capsid interplay
Significance The mechanisms of how Cyclophilin A (CypA) regulates HIV-1 infectivity remain poorly understood. We examined the role of dynamics in capsid (CA) protein assemblies byExpand
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