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Structural insights into the molecular mechanism of vitamin D receptor activation by lithocholic acid involving a new mode of ligand recognition.
Belorusova AY, Eberhardt J, Potier N, Stote RH, Dejaegere A, Rochel N. Belorusova AY, et al. Among authors: dejaegere a. J Med Chem. 2014 Jun 12;57(11):4710-9. doi: 10.1021/jm5002524. Epub 2014 May 21. J Med Chem. 2014. PMID: 24818857
Challenges in pKa predictions for proteins: the case of Asp213 in human proteinase 3.
Hajjar E, Dejaegere A, Reuter N. Hajjar E, et al. Among authors: dejaegere a. J Phys Chem A. 2009 Oct 29;113(43):11783-92. doi: 10.1021/jp902930u. J Phys Chem A. 2009. PMID: 19780520
Design, synthesis, and functional evaluation of leukocyte function associated antigen-1 antagonists in early and late stages of cancer development.
San Sebastián E, Zimmerman T, Zubia A, Vara Y, Martin E, Sirockin F, Dejaegere A, Stote RH, Lopez X, Pantoja-Uceda D, Valcárcel M, Mendoza L, Vidal-Vanaclocha F, Cossío FP, Blanco FJ. San Sebastián E, et al. Among authors: dejaegere a. J Med Chem. 2013 Feb 14;56(3):735-47. doi: 10.1021/jm3016848. Epub 2013 Jan 22. J Med Chem. 2013. PMID: 23339734
Dynamics of beta3 integrin I-like and hybrid domains: insight from simulations on the mechanism of transition between open and closed forms.
Gaillard T, Dejaegere A, Stote RH. Gaillard T, et al. Among authors: dejaegere a. Proteins. 2009 Sep;76(4):977-94. doi: 10.1002/prot.22404. Proteins. 2009. PMID: 19350618
Molecular basis for Bcl-2 homology 3 domain recognition in the Bcl-2 protein family: identification of conserved hot spot interactions.
Moroy G, Martin E, Dejaegere A, Stote RH. Moroy G, et al. Among authors: dejaegere a. J Biol Chem. 2009 Jun 26;284(26):17499-511. doi: 10.1074/jbc.M805542200. Epub 2009 Mar 17. J Biol Chem. 2009. PMID: 19293158 Free PMC article.
PSSweb: protein structural statistics web server.
Gaillard T, Stote RH, Dejaegere A. Gaillard T, et al. Among authors: dejaegere a. Nucleic Acids Res. 2016 Jul 8;44(W1):W401-5. doi: 10.1093/nar/gkw332. Epub 2016 May 12. Nucleic Acids Res. 2016. PMID: 27174930 Free PMC article.
Unrolr: Structural analysis of protein conformations using stochastic proximity embedding.
Eberhardt J, Stote RH, Dejaegere A. Eberhardt J, et al. Among authors: dejaegere a. J Comput Chem. 2018 Nov 15;39(30):2551-2557. doi: 10.1002/jcc.25599. J Comput Chem. 2018. PMID: 30447084
A revisited version of the apo structure of the ligand-binding domain of the human nuclear receptor retinoic X receptor α.
Eberhardt J, McEwen AG, Bourguet W, Moras D, Dejaegere A. Eberhardt J, et al. Among authors: dejaegere a. Acta Crystallogr F Struct Biol Commun. 2019 Feb 1;75(Pt 2):98-104. doi: 10.1107/S2053230X18018022. Epub 2019 Jan 23. Acta Crystallogr F Struct Biol Commun. 2019. PMID: 30713160 Free PMC article.
Differential modes of peptide binding onto replicative sliding clamps from various bacterial origins.
Wolff P, Amal I, Oliéric V, Chaloin O, Gygli G, Ennifar E, Lorber B, Guichard G, Wagner J, Dejaegere A, Burnouf DY. Wolff P, et al. Among authors: dejaegere a. J Med Chem. 2014 Sep 25;57(18):7565-76. doi: 10.1021/jm500467a. Epub 2014 Sep 16. J Med Chem. 2014. PMID: 25170813
Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin D nuclear receptor.
Ciesielski F, Sato Y, Chebaro Y, Moras D, Dejaegere A, Rochel N. Ciesielski F, et al. Among authors: dejaegere a. J Med Chem. 2012 Oct 11;55(19):8440-9. doi: 10.1021/jm300858s. Epub 2012 Sep 19. J Med Chem. 2012. PMID: 22957834
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