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Items: 23

1.

HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.

Rusere LN, Lockbaum GJ, Lee SK, Henes M, Kosovrasti K, Spielvogel E, Nalivaika EA, Swanstrom R, Yilmaz NK, Schiffer CA, Ali A.

J Med Chem. 2019 Sep 12;62(17):8062-8079. doi: 10.1021/acs.jmedchem.9b00838. Epub 2019 Aug 21.

PMID:
31386368
2.

Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance.

Henes M, Kosovrasti K, Lockbaum GJ, Leidner F, Nachum GS, Nalivaika EA, Bolon DNA, Kurt Yilmaz N, Schiffer CA, Whitfield TW.

Biochemistry. 2019 Sep 3;58(35):3711-3726. doi: 10.1021/acs.biochem.9b00446. Epub 2019 Aug 19.

PMID:
31386353
3.

Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.

Henes M, Lockbaum GJ, Kosovrasti K, Leidner F, Nachum GS, Nalivaika EA, Lee SK, Spielvogel E, Zhou S, Swanstrom R, Bolon DNA, Kurt Yilmaz N, Schiffer CA.

ACS Chem Biol. 2019 Aug 13. doi: 10.1021/acschembio.9b00370. [Epub ahead of print]

PMID:
31361460
4.

Correction to Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.

Lockbaum GJ, Leidner F, Rusere LN, Henes M, Kosovrasti K, Nachum GS, Nalivaika EA, Bolon DNA, Ali A, Kurt Yilmaz N, Schiffer CA.

ACS Infect Dis. 2019 Jun 14;5(6):1044. doi: 10.1021/acsinfecdis.9b00098. Epub 2019 Apr 16. No abstract available.

PMID:
30990653
5.

Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.

Lockbaum GJ, Leidner F, Rusere LN, Henes M, Kosovrasti K, Nachum GS, Nalivaika EA, Ali A, Yilmaz NK, Schiffer CA.

ACS Infect Dis. 2019 Feb 8;5(2):316-325. doi: 10.1021/acsinfecdis.8b00336. Epub 2018 Dec 31. Erratum in: ACS Infect Dis. 2019 Jun 14;5(6):1044.

PMID:
30543749
6.

Structural Analysis of the Active Site and DNA Binding of Human Cytidine Deaminase APOBEC3B.

Hou S, Silvas TV, Leidner F, Nalivaika EA, Matsuo H, Kurt Yilmaz N, Schiffer CA.

J Chem Theory Comput. 2019 Jan 8;15(1):637-647. doi: 10.1021/acs.jctc.8b00545. Epub 2018 Dec 11.

7.

HIV-1 Protease Uses Bi-Specific S2/S2' Subsites to Optimize Cleavage of Two Classes of Target Sites.

Potempa M, Lee SK, Kurt Yilmaz N, Nalivaika EA, Rogers A, Spielvogel E, Carter CW Jr, Schiffer CA, Swanstrom R.

J Mol Biol. 2018 Dec 7;430(24):5182-5195. doi: 10.1016/j.jmb.2018.10.022. Epub 2018 Nov 7.

PMID:
30414407
8.

Dengue Protease Substrate Recognition: Binding of the Prime Side.

Lin KH, Nalivaika EA, Prachanronarong KL, Yilmaz NK, Schiffer CA.

ACS Infect Dis. 2016 Oct 14;2(10):734-743. Epub 2016 Sep 22.

9.

The ssDNA Mutator APOBEC3A Is Regulated by Cooperative Dimerization.

Bohn MF, Shandilya SMD, Silvas TV, Nalivaika EA, Kouno T, Kelch BA, Ryder SP, Kurt-Yilmaz N, Somasundaran M, Schiffer CA.

Structure. 2015 May 5;23(5):903-911. doi: 10.1016/j.str.2015.03.016. Epub 2015 Apr 23.

10.

Drug resistance conferred by mutations outside the active site through alterations in the dynamic and structural ensemble of HIV-1 protease.

Ragland DA, Nalivaika EA, Nalam MN, Prachanronarong KL, Cao H, Bandaranayake RM, Cai Y, Kurt-Yilmaz N, Schiffer CA.

J Am Chem Soc. 2014 Aug 27;136(34):11956-63. doi: 10.1021/ja504096m. Epub 2014 Aug 18.

11.

Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.

Mittal S, Bandaranayake RM, King NM, Prabu-Jeyabalan M, Nalam MN, Nalivaika EA, Yilmaz NK, Schiffer CA.

J Virol. 2013 Apr;87(8):4176-84. doi: 10.1128/JVI.03486-12. Epub 2013 Jan 30.

12.

Extreme entropy-enthalpy compensation in a drug-resistant variant of HIV-1 protease.

King NM, Prabu-Jeyabalan M, Bandaranayake RM, Nalam MN, Nalivaika EA, Özen A, Haliloğlu T, Yilmaz NK, Schiffer CA.

ACS Chem Biol. 2012 Sep 21;7(9):1536-46. Epub 2012 Jul 2.

13.

Molecular Basis for Drug Resistance in HIV-1 Protease.

Ali A, Bandaranayake RM, Cai Y, King NM, Kolli M, Mittal S, Murzycki JF, Nalam MN, Nalivaika EA, Ozen A, Prabu-Jeyabalan MM, Thayer K, Schiffer CA.

Viruses. 2010 Nov;2(11):2509-35. doi: 10.3390/v2112509. Epub 2010 Nov 12.

14.

The effect of clade-specific sequence polymorphisms on HIV-1 protease activity and inhibitor resistance pathways.

Bandaranayake RM, Kolli M, King NM, Nalivaika EA, Heroux A, Kakizawa J, Sugiura W, Schiffer CA.

J Virol. 2010 Oct;84(19):9995-10003. doi: 10.1128/JVI.00505-10. Epub 2010 Jul 21.

15.

Crystal structure of the APOBEC3G catalytic domain reveals potential oligomerization interfaces.

Shandilya SM, Nalam MN, Nalivaika EA, Gross PJ, Valesano JC, Shindo K, Li M, Munson M, Royer WE, Harjes E, Kono T, Matsuo H, Harris RS, Somasundaran M, Schiffer CA.

Structure. 2010 Jan 13;18(1):28-38. doi: 10.1016/j.str.2009.10.016.

16.

Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease.

Altman MD, Nalivaika EA, Prabu-Jeyabalan M, Schiffer CA, Tidor B.

Proteins. 2008 Feb 15;70(3):678-94.

17.

Substrate envelope and drug resistance: crystal structure of RO1 in complex with wild-type human immunodeficiency virus type 1 protease.

Prabu-Jeyabalan M, King NM, Nalivaika EA, Heilek-Snyder G, Cammack N, Schiffer CA.

Antimicrob Agents Chemother. 2006 Apr;50(4):1518-21.

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Combating susceptibility to drug resistance: lessons from HIV-1 protease.

King NM, Prabu-Jeyabalan M, Nalivaika EA, Schiffer CA.

Chem Biol. 2004 Oct;11(10):1333-8.

21.

Structural and thermodynamic basis for the binding of TMC114, a next-generation human immunodeficiency virus type 1 protease inhibitor.

King NM, Prabu-Jeyabalan M, Nalivaika EA, Wigerinck P, de Béthune MP, Schiffer CA.

J Virol. 2004 Nov;78(21):12012-21.

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23.

Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.

King NM, Melnick L, Prabu-Jeyabalan M, Nalivaika EA, Yang SS, Gao Y, Nie X, Zepp C, Heefner DL, Schiffer CA.

Protein Sci. 2002 Feb;11(2):418-29.

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