The allosteric mechanism leading to an open-groove lipid conductive state of the TMEM16F scramblase

Autor: George Khelashvili, Ekaterina Kots, Xiaolu Cheng, Michael V. Levine, Harel Weinstein

Publikováno v: Communications Biology, Vol 5, Iss 1, Pp 1-13 (2022)

Molecular dynamics simulations reveal the allosteric mechanism leading to an open, lipid scrambling competent state of a mammalian TMEM16F.

Externí odkaz: https://doaj.org/article/578de32c6a854da4adc4db631a4528a6

A partially-open inward-facing intermediate conformation of LeuT is associated with Na+ release and substrate transport

Autor: Daniel S. Terry, Rachel A. Kolster, Matthias Quick, Michael V. LeVine, George Khelashvili, Zhou Zhou, Harel Weinstein, Jonathan A. Javitch, Scott C. Blanchard

Publikováno v: Nature Communications, Vol 9, Iss 1, Pp 1-10 (2018)

Neurotransmitter:sodium symporters (NSS) modulate the duration and magnitude of signaling via the sodium-coupled reuptake of neurotransmitters. Here the authors describe quantitative single molecule imaging of ligand-induced, functional dynamics of b

Externí odkaz: https://doaj.org/article/97de270984c541fa90101d0a86508a1f

Development of Force Field Parameters for the Simulation of Single- and Double-Stranded DNA Molecules and DNA–Protein Complexes

Autor: Maxwell R. Tucker, Stefano Piana, Dazhi Tan, Michael V. LeVine, David E. Shaw

Publikováno v: The Journal of Physical Chemistry B. 126:4442-4457

Although molecular dynamics (MD) simulations have been used extensively to study the structural dynamics of proteins, the role of MD simulation in studies of nucleic acid based systems has been more limited. One contributing factor to this disparity

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01804d8676abbbd2eaf6f8a0a7b11afd
https://doi.org/10.1021/acs.jpcb.1c10971

X-ray structure of LeuT in an inward-facing occluded conformation reveals mechanism of substrate release

Autor: Jonas S. Mortensen, Julie Winkel Missel, Jonathan A. Javitch, Ulrik Gether, George Khelashvili, Poul Nissen, Harel Weinstein, Matthias Quick, Scott C. Blanchard, Michael V. LeVine, Thomas Boesen, Pontus Gourdon, Daniel S. Terry, Kamil Gotfryd, Claus J. Loland

Publikováno v: Gotfryd, K, Boesen, T, Mortensen, J S, Khelashvili, G, Quick, M, Terry, D S, Missel, J W, LeVine, M V, Gourdon, P, Blanchard, S C, Javitch, J A, Weinstein, H, Loland, C J, Nissen, P & Gether, U 2020, ' X-ray structure of LeuT in an inward-facing occluded conformation reveals mechanism of substrate release ', Nature Communications, vol. 11, no. 1, 1005 . https://doi.org/10.1038/s41467-020-14735-w
Nature Communications, Vol 11, Iss 1, Pp 1-14 (2020)
Nature Communications

Neurotransmitter:sodium symporters (NSS) are conserved from bacteria to man and serve as targets for drugs, including antidepressants and psychostimulants. Here we report the X-ray structure of the prokaryotic NSS member, LeuT, in a Na+/substrate-bou

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b497f316f3dac25459903e74ea58f0f
https://pure.au.dk/portal/da/publications/xray-structure-of-leut-in-an-inwardfacing-occluded-conformation-reveals-mechanism-of-substrate-release(8cf63813-c563-4926-95ad-fc7bba555289).html

A partially-open inward-facing intermediate conformation of LeuT is associated with Na+ release and substrate transport

Autor: Rachel A. Kolster, Matthias Quick, Harel Weinstein, Daniel S. Terry, Michael V. LeVine, Scott C. Blanchard, George Khelashvili, Jonathan A. Javitch, Zhou Zhou

Publikováno v: Nature Communications, Vol 9, Iss 1, Pp 1-10 (2018)

Neurotransmitter:sodium symporters (NSS), targets of antidepressants and psychostimulants, clear neurotransmitters from the synaptic cleft through sodium (Na+)-coupled transport. Substrate and Na+ are thought to be transported from the extracellular

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8a79673aefa01bddb272640045e39638
https://doaj.org/article/97de270984c541fa90101d0a86508a1f