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Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Kwon YD, Finzi A, Wu X, Dogo-Isonagie C, Lee LK, Moore LR, Schmidt SD, Stuckey J, Yang Y, Zhou T, Zhu J, Vicic DA, Debnath AK, Shapiro L, Bewley CA, Mascola JR, Sodroski JG, Kwong PD. Kwon YD, et al. Among authors: debnath ak. Proc Natl Acad Sci U S A. 2012 Apr 10;109(15):5663-8. doi: 10.1073/pnas.1112391109. Epub 2012 Mar 26. Proc Natl Acad Sci U S A. 2012. PMID: 22451932 Free PMC article.
Structure-based identification and neutralization mechanism of tyrosine sulfate mimetics that inhibit HIV-1 entry.
Acharya P, Dogo-Isonagie C, LaLonde JM, Lam SN, Leslie GJ, Louder MK, Frye LL, Debnath AK, Greenwood JR, Luongo TS, Martin L, Watts KS, Hoxie JA, Mascola JR, Bewley CA, Kwong PD. Acharya P, et al. Among authors: debnath ak. ACS Chem Biol. 2011 Oct 21;6(10):1069-77. doi: 10.1021/cb200068b. Epub 2011 Aug 5. ACS Chem Biol. 2011. PMID: 21793507 Free PMC article.
Structure-based lead optimization to improve antiviral potency and ADMET properties of phenyl-1H-pyrrole-carboxamide entry inhibitors targeted to HIV-1 gp120.
Curreli F, Belov DS, Kwon YD, Ramesh R, Furimsky AM, O'Loughlin K, Byrge PC, Iyer LV, Mirsalis JC, Kurkin AV, Altieri A, Debnath AK. Curreli F, et al. Among authors: debnath ak. Eur J Med Chem. 2018 Jun 25;154:367-391. doi: 10.1016/j.ejmech.2018.04.062. Epub 2018 May 12. Eur J Med Chem. 2018. PMID: 29860061 Free PMC article.
Antiviral Activity and Crystal Structures of HIV-1 gp120 Antagonists.
Curreli F, Kwon YD, Nicolau I, Burgos G, Altieri A, Kurkin AV, Verardi R, Kwong PD, Debnath AK. Curreli F, et al. Among authors: debnath ak. Int J Mol Sci. 2022 Dec 15;23(24):15999. doi: 10.3390/ijms232415999. Int J Mol Sci. 2022. PMID: 36555641 Free PMC article.
138 results