Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance
Shaqra, Ala M., Zvornicanin, Sarah N., Huang, Qiu Yu J., Lockbaum, Gordon J., Knapp, Mark, Tandeske, Laura, Bakan, David T., Flynn, Julia, Bolon, Daniel N. A., Moquin, Stephanie, Dovala, Dustin, Kurt Yilmaz, Nese, Schiffer, Celia A.
Published in Nature communications (21.06.2022)
Published in Nature communications (21.06.2022)
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Journal Article
Selection of HIV-1 for resistance to fifth-generation protease inhibitors reveals two independent pathways to high-level resistance
Spielvogel, Ean, Lee, Sook-Kyung, Zhou, Shuntai, Lockbaum, Gordon J, Henes, Mina, Sondgeroth, Amy, Kosovrasti, Klajdi, Nalivaika, Ellen A, Ali, Akbar, Yilmaz, Nese Kurt, Schiffer, Celia A, Swanstrom, Ronald
Published in eLife (15.03.2023)
Published in eLife (15.03.2023)
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Journal Article
Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors
Matthew, Ashley N, Zephyr, Jacqueto, Nageswara Rao, Desaboini, Henes, Mina, Kamran, Wasih, Kosovrasti, Klajdi, Hedger, Adam K, Lockbaum, Gordon J, Timm, Jennifer, Ali, Akbar, Kurt Yilmaz, Nese, Schiffer, Celia A
Published in mBio (31.03.2020)
Published in mBio (31.03.2020)
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Journal Article
Unique structural solution from a VH3-30 antibody targeting the hemagglutinin stem of influenza A viruses
Harshbarger, Wayne D., Deming, Derrick, Lockbaum, Gordon J., Attatippaholkun, Nattapol, Kamkaew, Maliwan, Hou, Shurong, Somasundaran, Mohan, Wang, Jennifer P., Finberg, Robert W., Zhu, Quan Karen, Schiffer, Celia A., Marasco, Wayne A.
Published in Nature communications (25.01.2021)
Published in Nature communications (25.01.2021)
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Journal Article
Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV‑2 Main Protease in a Unique Binding Mode
Lockbaum, Gordon J, Henes, Mina, Lee, Jeong Min, Timm, Jennifer, Nalivaika, Ellen A, Thompson, Paul R, Kurt Yilmaz, Nese, Schiffer, Celia A
Published in Biochemistry (Easton) (05.10.2021)
Published in Biochemistry (Easton) (05.10.2021)
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Journal Article
Dual Inhibitors of Main Protease (MPro) and Cathepsin L as Potent Antivirals against SARS-CoV2
Mondal, Santanu, Chen, Yongzhi, Lockbaum, Gordon J., Sen, Sudeshna, Chaudhuri, Sauradip, Reyes, Archie C., Lee, Jeong Min, Kaur, Arshia N., Sultana, Nadia, Cameron, Michael D., Shaffer, Scott A., Schiffer, Celia A., Fitzgerald, Katherine A., Thompson, Paul R.
Published in Journal of the American Chemical Society (23.11.2022)
Published in Journal of the American Chemical Society (23.11.2022)
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Journal Article
Drug Design Strategies to Avoid Resistance in Direct-Acting Antivirals and Beyond
Matthew, Ashley N, Leidner, Florian, Lockbaum, Gordon J, Henes, Mina, Zephyr, Jacqueto, Hou, Shurong, Rao, Desaboini Nageswara, Timm, Jennifer, Rusere, Linah N, Ragland, Debra A, Paulsen, Janet L, Prachanronarong, Kristina, Soumana, Djade I, Nalivaika, Ellen A, Kurt Yilmaz, Nese, Ali, Akbar, Schiffer, Celia A
Published in Chemical reviews (24.03.2021)
Published in Chemical reviews (24.03.2021)
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Journal Article
HIV-1 protease inhibitors with a P1 phosphonate modification maintain potency against drug-resistant variants by increased interactions with flap residues
Lockbaum, Gordon J., Rusere, Linah N., Henes, Mina, Kosovrasti, Klajdi, Rao, Desaboini Nageswara, Spielvogel, Ean, Lee, Sook-Kyung, Nalivaika, Ellen A., Swanstrom, Ronald, Yilmaz, Nese Kurt, Schiffer, Celia A., Ali, Akbar
Published in European journal of medicinal chemistry (05.09.2023)
Published in European journal of medicinal chemistry (05.09.2023)
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Journal Article
HIV‑1 Protease Inhibitors Incorporating Stereochemically Defined P2′ Ligands To Optimize Hydrogen Bonding in the Substrate Envelope
Rusere, Linah N, Lockbaum, Gordon J, Lee, Sook-Kyung, Henes, Mina, Kosovrasti, Klajdi, Spielvogel, Ean, Nalivaika, Ellen A, Swanstrom, Ronald, Yilmaz, Nese Kurt, Schiffer, Celia A, Ali, Akbar
Published in Journal of medicinal chemistry (12.09.2019)
Published in Journal of medicinal chemistry (12.09.2019)
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Journal Article
Optimizing the refinement of merohedrally twinned P61 HIV‐1 protease–inhibitor cocrystal structures
Lockbaum, Gordon J, Leidner, Florian, Royer, William E, Yilmaz, Nese Kurt, Schiffer, Celia A
Published in Acta crystallographica. Section D, Biological crystallography. (01.03.2020)
Published in Acta crystallographica. Section D, Biological crystallography. (01.03.2020)
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Journal Article
Molecular Determinants of Epistasis in HIV‑1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance
Henes, Mina, Kosovrasti, Klajdi, Lockbaum, Gordon J, Leidner, Florian, Nachum, Gily S, Nalivaika, Ellen A, Bolon, Daniel N. A, Kurt Yilmaz, Nese, Schiffer, Celia A, Whitfield, Troy W
Published in Biochemistry (Easton) (03.09.2019)
Published in Biochemistry (Easton) (03.09.2019)
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Journal Article
Inhibiting HTLV‑1 Protease: A Viable Antiviral Target
Lockbaum, Gordon J, Henes, Mina, Talledge, Nathaniel, Rusere, Linah N, Kosovrasti, Klajdi, Nalivaika, Ellen A, Somasundaran, Mohan, Ali, Akbar, Mansky, Louis M, Kurt Yilmaz, Nese, Schiffer, Celia A
Published in ACS chemical biology (19.03.2021)
Published in ACS chemical biology (19.03.2021)
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Journal Article
Structural Analysis of Potent Hybrid HIV‑1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere
Rusere, Linah N, Lockbaum, Gordon J, Henes, Mina, Lee, Sook-Kyung, Spielvogel, Ean, Rao, Desaboini Nageswara, Kosovrasti, Klajdi, Nalivaika, Ellen A, Swanstrom, Ronald, Kurt Yilmaz, Nese, Schiffer, Celia A, Ali, Akbar
Published in Journal of medicinal chemistry (13.08.2020)
Published in Journal of medicinal chemistry (13.08.2020)
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Journal Article
Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants
Rusere, Linah N., Matthew, Ashley N., Lockbaum, Gordon J., Jahangir, Muhammad, Newton, Alicia, Petropoulos, Christos J., Huang, Wei, Kurt Yilmaz, Nese, Schiffer, Celia A., Ali, Akbar
Published in ACS medicinal chemistry letters (12.07.2018)
Published in ACS medicinal chemistry letters (12.07.2018)
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Journal Article
Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV‑1 Protease
Lockbaum, Gordon J, Leidner, Florian, Rusere, Linah N, Henes, Mina, Kosovrasti, Klajdi, Nachum, Gily S, Nalivaika, Ellen A, Ali, Akbar, Kurt Yilmaz, Nese, Schiffer, Celia A
Published in ACS infectious diseases (08.02.2019)
Published in ACS infectious diseases (08.02.2019)
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Journal Article
Correction to Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV‑1 Protease
Lockbaum, Gordon J, Leidner, Florian, Rusere, Linah N, Henes, Mina, Kosovrasti, Klajdi, Nachum, Gily S, Nalivaika, Ellen A, Bolon, Daniel N. A, Ali, Akbar, Kurt Yilmaz, Nese, Schiffer, Celia A
Published in ACS infectious diseases (14.06.2019)
Published in ACS infectious diseases (14.06.2019)
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Journal Article
HIV-1 protease inhibitors with a P1 phosphonate modification maintain potency against drug-resistant variants by increased interactions with flap residues
Lockbaum, Gordon J., Rusere, Linah N., Henes, Mina, Kosovrasti, Klajdi, Rao, Desaboini Nageswara, Spielvogel, Ean, Lee, Sook-Kyung, Nalivaika, Ellen A., Swanstrom, Ronald, Yilmaz, Nese Kurt, Schiffer, Celia A., Ali, Akbar
Published in European journal of medicinal chemistry (01.09.2023)
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Published in European journal of medicinal chemistry (01.09.2023)
Journal Article
Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-Tetrahydrofuran in a Pseudo-Symmetric Dipeptide Isostere
Rusere, Linah N., Lockbaum, Gordon J., Henes, Mina, Lee, Sook-Kyung, Spielvogel, Ean, Rao, Desaboini Nageswara, Kosovrasti, Klajdi, Nalivaika, Ellen A., Swanstrom, Ronald, Yilmaz, Nese Kurt, Schiffer, Celia A., Ali, Akbar
Published in Journal of medicinal chemistry (03.08.2020)
Published in Journal of medicinal chemistry (03.08.2020)
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Journal Article
Abstract B073: Characterization of selective, allosteric inhibitors of human XRN1
Lockbaum, Gordon J, Sickmier, E. Allen, Sparling, Brian A, Knockenhauer, Kevin, Holt, Nicholas, Liu, Julie, Lynes, Maureen M, Grigoriu, Simina, Duncan, Kenneth W, Copeland, Robert A, Boriack-Sjodin, P. Ann
Published in Molecular cancer therapeutics (01.12.2023)
Published in Molecular cancer therapeutics (01.12.2023)
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Journal Article
pM to μM - Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance
Henes, Mina, Lockbaum, Gordon J., Kosovrasti, Klajdi, Leidner, Florian, Nachum, Gily S., Nalivaika, Ellen A., Lee, Sook-Kyung, Spielvogel, Ean, Zhou, Shuntai, Swanstrom, Ronald, Bolon, Daniel N.A., Yilmaz, Nese Kurt, Schiffer, Celia A.
Published in ACS chemical biology (13.08.2019)
Published in ACS chemical biology (13.08.2019)
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Journal Article