FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3204282122> ?p ?o ?g. }

• W3204282122 endingPage "e1009454" @default.
• W3204282122 startingPage "e1009454" @default.
• W3204282122 abstract "The current surge in bacterial multi-drug resistance (MDR) is one of the largest challenges to public health, threatening to render ineffective many therapies we rely on for treatment of serious infections. Understanding different factors that contribute to MDR is hence crucial from the global “one health” perspective. In this contribution, we focus on the prototypical broad-selectivity proton-coupled antiporter EmrE, one of the smallest known ligand transporters that confers resistance to aromatic cations in a number of clinically relevant species. As an asymmetric homodimer undergoing an “alternating access” protomer-swap conformational change, it serves as a model for the mechanistic understanding of more complex drug transporters. Here, we present a free energy and solvent accessibility analysis that indicates the presence of two complementary ligand translocation pathways that remain operative in a broad range of conditions. Our simulations show a previously undescribed desolvated apo state and anticorrelated accessibility in the ligand-bound state, explaining on a structural level why EmrE does not disrupt the pH gradient through futile proton transfer. By comparing the behavior of a number of model charged and/or aromatic ligands, we also explain the origin of selectivity of EmrE towards a broad class of aromatic cations. Finally, we explore unbiased pathways of ligand entry and exit to identify correlated structural changes implicated in ligand binding and release, as well as characterize key intermediates of occupancy changes." @default.
• W3204282122 created "2021-10-11" @default.
• W3204282122 creator A5050111942 @default.
• W3204282122 creator A5075050584 @default.
• W3204282122 creator A5085108119 @default.
• W3204282122 creator A5086962788 @default.
• W3204282122 date "2021-10-06" @default.
• W3204282122 modified "2023-10-18" @default.
• W3204282122 title "Molecular mechanism of proton-coupled ligand translocation by the bacterial efflux pump EmrE" @default.
• W3204282122 cites W1031578623 @default.
• W3204282122 cites W1543647466 @default.
• W3204282122 cites W1779791888 @default.
• W3204282122 cites W1927502485 @default.
• W3204282122 cites W1984356759 @default.
• W3204282122 cites W1991347875 @default.
• W3204282122 cites W2001638491 @default.
• W3204282122 cites W2008463051 @default.
• W3204282122 cites W2017898428 @default.
• W3204282122 cites W2022872727 @default.
• W3204282122 cites W2029186981 @default.
• W3204282122 cites W2033416379 @default.
• W3204282122 cites W2037741575 @default.
• W3204282122 cites W2040614656 @default.
• W3204282122 cites W2042394574 @default.
• W3204282122 cites W2046820306 @default.
• W3204282122 cites W2052111270 @default.
• W3204282122 cites W2057806291 @default.
• W3204282122 cites W2060438759 @default.
• W3204282122 cites W2065547399 @default.
• W3204282122 cites W2066951434 @default.
• W3204282122 cites W2070512312 @default.
• W3204282122 cites W2078785671 @default.
• W3204282122 cites W2106192857 @default.
• W3204282122 cites W2109154308 @default.
• W3204282122 cites W2112154906 @default.
• W3204282122 cites W2125498911 @default.
• W3204282122 cites W2146411229 @default.
• W3204282122 cites W2146640609 @default.
• W3204282122 cites W2160695808 @default.
• W3204282122 cites W2163733734 @default.
• W3204282122 cites W2166580191 @default.
• W3204282122 cites W2167131009 @default.
• W3204282122 cites W2168269595 @default.
• W3204282122 cites W2168929754 @default.
• W3204282122 cites W2170812462 @default.
• W3204282122 cites W2172810513 @default.
• W3204282122 cites W2195184102 @default.
• W3204282122 cites W2256408545 @default.
• W3204282122 cites W2334531949 @default.
• W3204282122 cites W2343105778 @default.
• W3204282122 cites W2396966743 @default.
• W3204282122 cites W2556565974 @default.
• W3204282122 cites W2677778336 @default.
• W3204282122 cites W2768093345 @default.
• W3204282122 cites W2793580776 @default.
• W3204282122 cites W2885020080 @default.
• W3204282122 cites W2886754164 @default.
• W3204282122 cites W2943908740 @default.
• W3204282122 cites W2947367648 @default.
• W3204282122 cites W3037355686 @default.
• W3204282122 cites W3037642066 @default.
• W3204282122 cites W3091320837 @default.
• W3204282122 cites W3108898263 @default.
• W3204282122 cites W3120807501 @default.
• W3204282122 cites W4232585490 @default.
• W3204282122 cites W2776218525 @default.
• W3204282122 doi "https://doi.org/10.1371/journal.pcbi.1009454" @default.
• W3204282122 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/8523053" @default.
• W3204282122 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34613958" @default.
• W3204282122 hasPublicationYear "2021" @default.
• W3204282122 type Work @default.
• W3204282122 sameAs 3204282122 @default.
• W3204282122 citedByCount "6" @default.
• W3204282122 countsByYear W32042821222021 @default.
• W3204282122 countsByYear W32042821222022 @default.
• W3204282122 countsByYear W32042821222023 @default.
• W3204282122 crossrefType "journal-article" @default.
• W3204282122 hasAuthorship W3204282122A5050111942 @default.
• W3204282122 hasAuthorship W3204282122A5075050584 @default.
• W3204282122 hasAuthorship W3204282122A5085108119 @default.
• W3204282122 hasAuthorship W3204282122A5086962788 @default.
• W3204282122 hasBestOaLocation W32042821221 @default.
• W3204282122 hasConcept C104317684 @default.
• W3204282122 hasConcept C10679952 @default.
• W3204282122 hasConcept C116569031 @default.
• W3204282122 hasConcept C12554922 @default.
• W3204282122 hasConcept C149011108 @default.
• W3204282122 hasConcept C170493617 @default.
• W3204282122 hasConcept C185592680 @default.
• W3204282122 hasConcept C200082930 @default.
• W3204282122 hasConcept C204171352 @default.
• W3204282122 hasConcept C2910532024 @default.
• W3204282122 hasConcept C41625074 @default.
• W3204282122 hasConcept C55493867 @default.
• W3204282122 hasConcept C57181701 @default.
• W3204282122 hasConcept C71240020 @default.
• W3204282122 hasConcept C74187038 @default.
• W3204282122 hasConcept C86803240 @default.

• next