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A distinct binding mode of a hydroxyethylamine isostere inhibitor of HIV-1 protease.
Dohnálek J, Hasek J, Dusková J, Petroková H, Hradilek M, Soucek M, Konvalinka J, Brynda J, Sedlácek J, Fábry M. Dohnálek J, et al. Among authors: duskova j. Acta Crystallogr D Biol Crystallogr. 2001 Mar;57(Pt 3):472-6. doi: 10.1107/s0907444900018928. Acta Crystallogr D Biol Crystallogr. 2001. PMID: 11223536
Hydroxyethylamine isostere of an HIV-1 protease inhibitor prefers its amine to the hydroxy group in binding to catalytic aspartates. A synchrotron study of HIV-1 protease in complex with a peptidomimetic inhibitor.
Dohnálek J, Hasek J, Dusková J, Petroková H, Hradilek M, Soucek M, Konvalinka J, Brynda J, Sedlácek J, Fábry M. Dohnálek J, et al. Among authors: duskova j. J Med Chem. 2002 Mar 28;45(7):1432-8. doi: 10.1021/jm010979e. J Med Chem. 2002. PMID: 11906284
On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution.
Dusková J, Dohnálek J, Skálová T, Petroková H, Vondrácková E, Hradílek M, Konvalinka J, Soucek M, Brynda J, Fábry M, Sedlácek J, Hasek J. Dusková J, et al. Acta Crystallogr D Biol Crystallogr. 2006 May;62(Pt 5):489-97. doi: 10.1107/S0907444906006718. Epub 2006 Apr 19. Acta Crystallogr D Biol Crystallogr. 2006. PMID: 16627941
Cold-active enzymes studied by comparative molecular dynamics simulation.
Spiwok V, Lipovová P, Skálová T, Dusková J, Dohnálek J, Hasek J, Russell NJ, Králová B. Spiwok V, et al. Among authors: duskova j. J Mol Model. 2007 Apr;13(4):485-97. doi: 10.1007/s00894-006-0164-5. Epub 2007 Jan 18. J Mol Model. 2007. PMID: 17235516
210 results