Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA

Autor:	Petit Guillaume, A., Mohanty Biswarajan, McMahon Róisín., Nebl Stefan, Hilko David, H., Wilde Karyn, L., Scanlon Martin, J., Martin Jennifer, L., Halili Maria, A.
Předmět:	technology industry and agriculture 3. Good health X-ray crystallography fragments screening PanDDA
Popis:	Datasets used to perform the PanDDA analysis presented in the article: "Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA", Acta Crystalllogr D, 2021. Apo (crystal soaked with 5% DMSo) datasets and model are present in the folders with the "APO" prefix. The crystals soaked with ligands are found in the folded with the "LIG" prefix, these folders also contains restraint files for their respective ligands. {"references":["Pearce, N. M., Krojer, T., Bradley, A. R., Collins, P., Nowak, R. P., Talon, R., Marsden, B. D., Kelm, S., Shi, J. & Deane, C. M. (2017). Nat Commun 8, 15123."]}
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::4454b890350cfc06757d2cd70f3242f6 Zobrazit plný text záznamu