MDverse, shedding light on the dark matter of molecular dynamics simulations

Autor: Johanna KS Tiemann, Magdalena Szczuka, Lisa Bouarroudj, Mohamed Oussaren, Steven Garcia, Rebecca J Howard, Lucie Delemotte, Erik Lindahl, Marc Baaden, Kresten Lindorff-Larsen, Matthieu Chavent, Pierre Poulain

Publikováno v: eLife, Vol 12 (2024)

The rise of open science and the absence of a global dedicated data repository for molecular dynamics (MD) simulations has led to the accumulation of MD files in generalist data repositories, constituting the dark matter of MD — data that is techni

Externí odkaz: https://doaj.org/article/c3061f03d4e2413684cd2f2b1b6d8754

Super-complexes of adhesion GPCRs and neural guidance receptors

Autor: Verity A. Jackson, Shahid Mehmood, Matthieu Chavent, Pietro Roversi, Maria Carrasquero, Daniel del Toro, Goenuel Seyit-Bremer, Fanomezana M. Ranaivoson, Davide Comoletti, Mark S. P. Sansom, Carol V. Robinson, Rüdiger Klein, Elena Seiradake

Publikováno v: Nature Communications, Vol 7, Iss 1, Pp 1-13 (2016)

FLRT proteins are known to interact with Lphns and Unc5s, mediating cell adhesion and repulsion respectively. Here the authors use crystallography, native mass spectrometry, molecular dynamics simulations and cell-based assays to show that these thre

Externí odkaz: https://doaj.org/article/ef384409442e4b9a8531b5fb0fc42da1

Supramolecular organization and dynamics of mannosylated phosphatidylinositol lipids in the mycobacterial plasma membrane

Autor: Chelsea M. Brown, Robin A. Corey, Axelle Grélard, Ya Gao, Yeol Kyo Choi, Emanuel Luna, Martine Gilleron, Nicolas Destainville, Jérôme Nigou, Antoine Loquet, Elizabeth Fullam, Wonpil Im, Phillip J. Stansfeld, Matthieu Chavent

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America
Proceedings of the National Academy of Sciences of the United States of America, 2023, 120 (5), pp.e2212755120. ⟨10.1073/pnas.2212755120⟩

Mycobacterium tuberculosis ( Mtb ) is the causative agent of tuberculosis (TB), a disease that claims ~1.6 million lives annually. The current treatment regime is long and expensive, and missed doses contribute to drug resistance. Therefore, developm

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::77f779aa10057a4cf246e1e7323c3ce8
https://hal.science/hal-04037054

β-actin plasticity is modulated by coordinated actions of histidine 73 methylation, nucleotide type, and ions

Autor: Adrien Schahl, Louis Lagardere, Brandon Walker, Pengyu Ren, Antoine Jégou, Matthieu Chavent, Jean-Philip Piquemal

Actin undergoes important structural changes to transition from the G-actin to the F-actin form. Furthermore, mammals express different isoforms, with only slight variations at the amino acid level. While theα-skeletal actin isoform was thoroughly s

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47437e55a40ba9e631b5ebc169967a00
https://hal.science/hal-03904639

GPC3-Unc5 receptor complex structure and role in cell migration

Autor: Onno Akkermans, Céline Delloye-Bourgeois, Claudia Peregrina, Maria Carrasquero-Ordaz, Maria Kokolaki, Miguel Berbeira-Santana, Matthieu Chavent, Florie Reynaud, Ritu Raj, Jon Agirre, Metin Aksu, Eleanor S. White, Edward Lowe, Dounia Ben Amar, Sofia Zaballa, Jiandong Huo, Irene Pakos, Patrick T.N. McCubbin, Davide Comoletti, Raymond J. Owens, Carol V. Robinson, Valérie Castellani, Daniel del Toro, Elena Seiradake

Neural migration is a critical step during brain development that requires the interactions of cell-surface guidance receptors. Cancer cells often hijack these mechanisms to disseminate. Here, we reveal crystal structures of Uncoordinated-5 receptor

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::10f639c2764fd0c039883a39c5c74777
https://doi.org/10.1016/j.cell.2022.09.025