Structural basis of cytotoxicity mediated by the type III secretion toxin ExoU from Pseudomonas aeruginosa.

Autor: Claire Gendrin, Carlos Contreras-Martel, Stéphanie Bouillot, Sylvie Elsen, David Lemaire, Dimitrios A Skoufias, Philippe Huber, Ina Attree, Andréa Dessen

Publikováno v: PLoS Pathogens, Vol 8, Iss 4, p e1002637 (2012)

The type III secretion system (T3SS) is a complex macromolecular machinery employed by a number of Gram-negative pathogens to inject effectors directly into the cytoplasm of eukaryotic cells. ExoU from the opportunistic pathogen Pseudomonas aeruginos

Externí odkaz: https://doaj.org/article/106857155d6e4cb5ae11921c3aea2542

Supporting Video 11 from Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5–Inhibitor Complexes

Autor: Dimitrios A. Skoufias, Frank Kozielski, Simon P. Mackay, Shozeb Haider, Fangzhu Lin, Sandeep K. Talapatra, Rose-Laure Indorato

Molecular dynamics simulations of the Eg5(D130A)-Arry-520 complex.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0e816c146c2d5519c7ac1701cb4cab3f
https://doi.org/10.1158/1535-7163.22509823

Supplementary Table 1 and Supplementary Figures 1-3 from Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5–Inhibitor Complexes

Autor: Dimitrios A. Skoufias, Frank Kozielski, Simon P. Mackay, Shozeb Haider, Fangzhu Lin, Sandeep K. Talapatra, Rose-Laure Indorato

Table S1: Crystallographic table of data corresponding to the Eg5-Arry-520 complexes. Figure S1: Interactions of the inhibitor and conformational changes upon inhibitor binding. Figure S2: Surface representation of the allosteric inhibitor-binding po

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1039447504df500c420ed42e4c047371
https://doi.org/10.1158/1535-7163.22509871.v1

Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5-Inhibitor Complexes

Autor: Simon P. Mackay, Rose-Laure Indorato, Fangzhu Lin, Sandeep K. Talapatra, Shozeb Haider, Frank Kozielski, Dimitrios A. Skoufias

Publikováno v: Molecular Cancer Therapeutics
Molecular Cancer Therapeutics, American Association for Cancer Research, 2019, pp.molcanther.0154.2019. ⟨10.1158/1535-7163.MCT-19-0154⟩
Molecular Cancer Therapeutics, 2019, pp.molcanther.0154.2019. ⟨10.1158/1535-7163.MCT-19-0154⟩

Arry-520 is an advanced drug candidate from the Eg5 inhibitor class undergoing clinical evaluation in patients with relapsed or refractory multiple myeloma. Here, we show by structural analysis that Arry-520 binds stoichiometrically to the motor doma

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c61f29502260ad8f7056d58cd486bd0
https://pubmed.ncbi.nlm.nih.gov/31488701

Receptor–Ligand Interaction-Based Virtual Screening for Novel Eg5/Kinesin Spindle Protein Inhibitors

Autor: Dimitrios A. Skoufias, Frank Kozielski, Ae Nim Pae, Shanthi Nagarajan

Publikováno v: Journal of Medicinal Chemistry. 55:2561-2573

Eg5/KSP is a promising mitotic spindle target for drug discovery in cancer chemotherapy and the development of agents against fungal diseases. A range of Eg5 targeting compounds identified by in vitro or cell-based screening is currently in developme

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f7a84a5381fc51ed5472a6b1fd704186
https://doi.org/10.1021/jm201290v