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CryptoSite: Expanding the Druggable Proteome by Characterization and Prediction of Cryptic Binding Sites.
Many proteins have small-molecule binding pockets that are not easily detectable in the ligand-free structures. These cryptic sites require a conformational change to become apparent; a cryptic siteExpand
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High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction
Significance The conduction of protons through the highly restricted paths of transmembrane proteins is an essential process of living systems and an intriguing problem in modern physical chemistry.Expand
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Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography
Determining the interconverting conformations of dynamic proteins in atomic detail is a major challenge for structural biology. Conformational heterogeneity in the active site of the dynamic enzymeExpand
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High-density grids for efficient data collection from multiple crystals
A high-density sample mount has been developed for efficient goniometer-based sample delivery at synchrotron and XFEL sources.
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E pluribus unum, no more: from one crystal, many conformations.
Several distinct computational approaches have recently been implemented to represent conformational heterogeneity from X-ray crystallography datasets that are averaged in time and space. As theseExpand
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XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction
Significance The influenza M2 channel is among the smallest proton-selective channels found in nature. High-resolution structures of this channel further our understanding of how protons areExpand
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Correction for Thomaston et al., High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction
Author(s): Thomaston, Jessica L; Alfonso-Prieto, Mercedes; Woldeyes, Rahel A; Fraser, James S; Klein, Michael L; Fiorin, Giacomo; DeGrado, William F
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Multiconformer synchrotron model of CypA at 100 K
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Multiconformer synchrotron model of CypA at 260 K
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