Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000873739> ?p ?o ?g. }
Showing items 1 to 72 of
72
with 100 items per page.
- W2000873739 abstract "Na+-coupled LeuT-fold secondary transporters consist of many essential membrane proteins that utilize the concentration gradient of Na+ to transport solutes across the cell membrane against their concentration gradients. The solutes they transport include many physiologically important molecules such as neurotransmitters (serotonin, dopamine, etc.), sugar molecules, nucleotide bases, etc. Dysfunction of these transporters is implicated in various diseases and syndromes and they are targets of many clinical drugs including antidepressants. Recent progress in crystallographic studies of the LeuT structural family has revealed striking similarities in the structural organization of ion and solute binding, implying some general mechanisms of substrate translocation and transporter conformational changes. This presentation will focus on the transport mechanism of transporters in this structural family, featuring Mhp1, a bacterial homologue of cation nucleotide-base symporters. Three crystal structures of this protein in open-to-out, occluded-out, and open-to-in conformational states have become available recently [1, 2]. The optimal transition path connecting these states is obtained from the “string method with swarm of trajectories” [3]. Potential of Mean Force (PMFs) maps are computed to characterize the path. Free energy simulations reveal the coupling between the co-transported ion and the main substrate and a profile of the dynamical interactions between substrates, ions, and the protein. This computational study will reveal the molecular mechanisms that govern the transporter's conformational changes from open to one face of the membrane to open to the opposite face.[1] Shimamura, T.; Weyand, S.; Beckstein, O.; Rutherford, N.G.; Hadden, J.M.; Sharples, D.; Sansom, M.S.P.; Iwata, S.; Henderson, P.J.F.; Cameron, A.D., Science, 2010, 328, (5977), 470-473.[2] Yamashita, A.; Singh, S.K.; Kawate, T.; Jin, Y.; Gouaux, E., Nature, 2005, 437, (7056), 215-223.[3] Pan, A.C.; Sezer, D.; Roux, B., Journal of Physical Chemistry B, 2008, 112, (11), 3432-3440." @default.
- W2000873739 created "2016-06-24" @default.
- W2000873739 creator A5025785683 @default.
- W2000873739 creator A5029235749 @default.
- W2000873739 date "2012-01-01" @default.
- W2000873739 modified "2023-09-28" @default.
- W2000873739 title "Mechanism of the Alternating Access in Leut-Fold Na+-Coupled Secondary Transporters: A Computational Transition Path Study" @default.
- W2000873739 doi "https://doi.org/10.1016/j.bpj.2011.11.3302" @default.
- W2000873739 hasPublicationYear "2012" @default.
- W2000873739 type Work @default.
- W2000873739 sameAs 2000873739 @default.
- W2000873739 citedByCount "1" @default.
- W2000873739 countsByYear W20008737392014 @default.
- W2000873739 crossrefType "journal-article" @default.
- W2000873739 hasAuthorship W2000873739A5025785683 @default.
- W2000873739 hasAuthorship W2000873739A5029235749 @default.
- W2000873739 hasBestOaLocation W20008737391 @default.
- W2000873739 hasConcept C104317684 @default.
- W2000873739 hasConcept C115335371 @default.
- W2000873739 hasConcept C120405084 @default.
- W2000873739 hasConcept C12554922 @default.
- W2000873739 hasConcept C144647389 @default.
- W2000873739 hasConcept C149011108 @default.
- W2000873739 hasConcept C16696662 @default.
- W2000873739 hasConcept C185592680 @default.
- W2000873739 hasConcept C2777339483 @default.
- W2000873739 hasConcept C41625074 @default.
- W2000873739 hasConcept C512185932 @default.
- W2000873739 hasConcept C55493867 @default.
- W2000873739 hasConcept C8010536 @default.
- W2000873739 hasConcept C86803240 @default.
- W2000873739 hasConceptScore W2000873739C104317684 @default.
- W2000873739 hasConceptScore W2000873739C115335371 @default.
- W2000873739 hasConceptScore W2000873739C120405084 @default.
- W2000873739 hasConceptScore W2000873739C12554922 @default.
- W2000873739 hasConceptScore W2000873739C144647389 @default.
- W2000873739 hasConceptScore W2000873739C149011108 @default.
- W2000873739 hasConceptScore W2000873739C16696662 @default.
- W2000873739 hasConceptScore W2000873739C185592680 @default.
- W2000873739 hasConceptScore W2000873739C2777339483 @default.
- W2000873739 hasConceptScore W2000873739C41625074 @default.
- W2000873739 hasConceptScore W2000873739C512185932 @default.
- W2000873739 hasConceptScore W2000873739C55493867 @default.
- W2000873739 hasConceptScore W2000873739C8010536 @default.
- W2000873739 hasConceptScore W2000873739C86803240 @default.
- W2000873739 hasLocation W20008737391 @default.
- W2000873739 hasOpenAccess W2000873739 @default.
- W2000873739 hasPrimaryLocation W20008737391 @default.
- W2000873739 hasRelatedWork W1916294066 @default.
- W2000873739 hasRelatedWork W2000739851 @default.
- W2000873739 hasRelatedWork W2002580946 @default.
- W2000873739 hasRelatedWork W2012079748 @default.
- W2000873739 hasRelatedWork W2016892586 @default.
- W2000873739 hasRelatedWork W2030739493 @default.
- W2000873739 hasRelatedWork W2031352803 @default.
- W2000873739 hasRelatedWork W2033117049 @default.
- W2000873739 hasRelatedWork W2033652393 @default.
- W2000873739 hasRelatedWork W2046394498 @default.
- W2000873739 hasRelatedWork W2053562533 @default.
- W2000873739 hasRelatedWork W2056331424 @default.
- W2000873739 hasRelatedWork W2328460744 @default.
- W2000873739 hasRelatedWork W2412827727 @default.
- W2000873739 hasRelatedWork W2494745645 @default.
- W2000873739 hasRelatedWork W2561305209 @default.
- W2000873739 hasRelatedWork W2730902195 @default.
- W2000873739 hasRelatedWork W2783692964 @default.
- W2000873739 hasRelatedWork W2793343697 @default.
- W2000873739 hasRelatedWork W2802487628 @default.
- W2000873739 isParatext "false" @default.
- W2000873739 isRetracted "false" @default.
- W2000873739 magId "2000873739" @default.
- W2000873739 workType "article" @default.