This collection showcases the journal articles and other publications authored by researchers in the Schiffer Lab in the Department of Biochemistry and Molecular Pharmacology at the University of Massachusetts Medical School.

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Publications from 2018

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Structural analysis of the active site and DNA binding of human cytidine deaminase APOBEC3B, Shurong Hou, Tania V. Silvas, Florian Leidner, Ellen A. Nalivaika, Hiroshi Matsuo, Nese Kurt Yilmaz, and Celia A. Schiffer

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HIV-1 Protease Uses Bi-Specific S2/S2' Subsites to Optimize Cleavage of Two Classes of Target Sites, Marc Potempa, Sook-Kyung Lee, Nese Kurt Yilmaz, Ellen A. Nalivaika, Amy Rogers, Ean Spielvogel, Charles W. Carter Jr., Celia A. Schiffer, and Ronald Swanstrom

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Mutations in influenza A virus neuraminidase and hemagglutinin confer resistance against a broadly neutralizing hemagglutinin stem antibody, Kristina L. Prachanronarong, Aneth S. Canale, Ping Liu, Mohan Somasundaran, Shurong Hou, Yu-Ping Poh, Thomas Han, Quan Zhu, Nicholas Renzette, Konstantin B. Zeldovich, Timothy F. Kowalik, Nese Kurt Yilmaz, Jeffrey D. Jensen, Daniel N. Bolon, Wayne A. Marasco, Robert W. Finberg, Celia A. Schiffer, and Jennifer P. Wang

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A call to arms: Unifying the fight against resistance, Alexis Kaushansky, Lizbeth Hedstrom, Aaron Goldman, Juswinder Singh, Priscilla L. Yang, Pradipsinh K. Rathod, Michael Cynamon, Dominik Wodarz, Daruka Mahadevan, Andrew Tomaras, Manuel A. Navia, and Celia A. Schiffer

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Molecular Mechanism of Resistance in a Clinically Significant Double-Mutant Variant of HCV NS3/4A Protease, Ashley N. Matthew, Florian Leidner, Alicia Newton, Christos J. Petropoulos, Wei Huang, Akbar Ali, Nese Kurt Yilmaz, and Celia A. Schiffer

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T cell epitope engineering: an avian H7N9 influenza vaccine strategy for pandemic preparedness and response, Leonard Moise, Bethany M. Biron, Christine M. Boyle, Nese Kurt Yilmaz, Hyesun Jang, Celia A. Schiffer, Ted M. Ross, William D. Martin, and Anne S. De Groot

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Crystal structure of the catalytic domain of HIV-1 restriction factor APOBEC3G in complex with ssDNA, Atanu Maiti, Wazo Myint, Tapan Kanai, Krista Delviks-Frankenberry, Christina Sierra Rodriguez, Vinay K. Pathak, Celia A. Schiffer, and Hiroshi Matsuo

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Assembly of human C-terminal binding protein (CtBP) into tetramers, Andrew G. Bellesis, Anne M. Jecrois, Janelle A. Hayes, Celia A. Schiffer, and William E. Royer

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Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants, Linah Rusere, Ashley N. Matthew, Gordon J. Lockbaum, Muhammad Jahangir, Alicia Newton, Christos J. Petropoulos, Wei Huang, Nese Kurt Yilmaz, Celia A. Schiffer, and Akbar Ali

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Substrate sequence selectivity of APOBEC3A implicates intra-DNA interactions, Tania V. Silvas, Shurong Hou, Wazo Myint, Ellen A. Nalivaika, Mohan Somasundaran, Brian A. Kelch, Hiroshi Matsuo, Nese Kurt Yilmaz, and Celia A. Schiffer

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Hydration Structure and Dynamics of Inhibitor-Bound HIV-1 Protease, Florian Leidner, Nese Kurt Yilmaz, Janet L. Paulsen, Yves A. Muller, and Celia A. Schiffer

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Synonymous Mutations at the Beginning of the Influenza A Virus Hemagglutinin Gene Impact Experimental Fitness, Aneth S. Canale, Sergey V. Venev, Troy W. Whitfield, Daniel R. Caffrey, Wayne A. Marasco, Celia A. Schiffer, Timothy F. Kowalik, Jeffrey D. Jensen, Robert W. Finberg, Konstantin B. Zeldovich, Jennifer P. Wang, and Daniel N. Bolon

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Probing Structural Changes among Analogous Inhibitor-Bound Forms of HIV-1 Protease and a Drug-Resistant Mutant in Solution by Nuclear Magnetic Resonance, Shahid N. Khan, John D. Persons, Janet L. Paulsen, Michel Guerrero, Celia A. Schiffer, Nese Kurt Yilmaz, and Rieko Ishima

Publications from 2017

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Structural Determination of the Broadly Reactive Anti-IGHV1-69 Anti-idiotypic Antibody G6 and Its Idiotope, Yuval Avnir, Kristina L. Prachanronarong, Shurong Hou, Brendan J. Hilbert, Markus-Frederik Bohn, Timothy F. Kowalik, Robert W. Finberg, Jennifer P. Wang, Nese Kurt Yilmaz, Celia A. Schiffer, and Wayne A. Marasco

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Mavyret: A Pan-Genotypic Combination Therapy for the Treatment of Hepatitis C Infection - Published as part of the Biochemistry series "Biochemistry to Bedside", Ashley N. Matthew, Nese Kurt Yilmaz, and Celia A. Schiffer

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CRISPR-Cas9-mediated saturated mutagenesis screen predicts clinical drug resistance with improved accuracy, Leyuan Ma, Jeffrey I. Boucher, Janet L. Paulsen, Sebastian Matuszewski, Christopher A. Eide, Jianhong Ou, Garrett Eickelberg, Richard D. Press, Lihua (Julie) Zhu, Brian J. Druker, Susan Branford, Scot A. Wolfe, Jeffrey D. Jensen, Celia A. Schiffer, Michael R. Green, and Daniel N. Bolon

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Elucidating the Interdependence of Drug Resistance from Combinations of Mutations, Debra A. Ragland, Troy W. Whitfield, Sook-Kyung Lee, Ronald Swanstrom, Konstantin B. Zeldovich, Nese Kurt Yilmaz, and Celia A. Schiffer

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Citrullination of NF-kappaB p65 promotes its nuclear localization and TLR-induced expression of IL-1beta and TNFalpha, Bo Sun, Nishant Dwivedi, Tyler J. Bechtel, Janet L. Paulsen, Aaron Muth, Mandar Bawadekar, Gang Li, Paul R. Thompson, Miriam A. Shelef, Celia A. Schiffer, Eranthie Weerapana, and I-Cheng Ho

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Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants, Ashley N. Matthew, Jacqueto Zephyr, Caitlin J. Hill, Muhammad Jahangir, Alicia Newton, Christos J. Petropoulos, Wei Huang, Nese Kurt Yilmaz, Celia A. Schiffer, and Akbar Ali

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Interdependence of Inhibitor Recognition in HIV-1 Protease, Janet L. Paulsen, Florian Leidner, Debra A. Ragland, Nese Kurt Yilmaz, and Celia A. Schiffer

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Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity, Takahide Kouno, Tania V. Silvas, Brendan J. Hilbert, Shivender Shandilya, Markus-Frederik Bohn, Brian A. Kelch, William E. Royer, Mohan Somasundaran, Nese Kurt Yilmaz, Hiroshi Matsuo, and Celia A. Schiffer

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Dengue Virus NS2B/NS3 Protease Inhibitors Exploiting the Prime Side, Kuan-Hung Lin, Akbar Ali, Linah Rusere, Djade I. Soumana, Nese Kurt Yilmaz, and Celia A. Schiffer

Publications from 2016

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Molecular Basis for Differential Patterns of Drug Resistance in Influenza N1 and N2 Neuraminidase, Kristina L. Prachanronarong, Aysegul Ozen, Kelly Thayer, L. Safak Yilmaz, Konstantin B. Zeldovich, Daniel N. Bolon, Timothy F. Kowalik, Jeffrey D. Jensen, Robert W. Finberg, Jennifer P. Wang, Nese Kurt Yilmaz, and Celia A. Schiffer

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Structural and molecular analysis of a protective epitope of Lyme disease antigen OspA and antibody interactions, Shivender Shandilya, Nese Kurt Yilmaz, Andrew Sadowski, Ejemel Monir, Zachary A. Schiller, William D. Thomas Jr., Mark S. Klempner, Celia A. Schiffer, and Yang Wang

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Dengue Protease Substrate Recognition: Binding of the Prime Side, Kuan-Hung Lin, Ellen A. Nalivaika, Kristina L. Prachanronarong, Nese Kurt Yilmaz, and Celia A. Schiffer

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Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease, Djade I. Soumana, Nese Kurt Yilmaz, Akbar Ali, Kristina L. Prachanronarong, and Celia A. Schiffer

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Improving Viral Protease Inhibitors to Counter Drug Resistance, Nese Kurt Yilmaz, Ronald I. Swanstrom, and Celia A. Schiffer

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Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172, Djade I. Soumana, Nese Kurt Yilmaz, Kristina L. Prachanronarong, Cihan Aydin, Akbar Ali, and Celia A. Schiffer

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A Balance between Inhibitor Binding and Substrate Processing Confers Influenza Drug Resistance, Li Jiang, Ping Liu, Claudia Bank, Nicholas Renzette, Kristina L. Prachanronarong, L. Safak Yilmaz, Daniel R. Caffrey, Konstantin B. Zeldovich, Celia A. Schiffer, Timothy F. Kowalik, Jeffrey D. Jensen, Robert W. Finberg, Jennifer P. Wang, and Daniel N. Bolon

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Inhibition of APOBEC3G activity impedes double-stranded DNA repair, Ponnandy Prabhu, Shivender Shandilya, Elena Britan-Rosich, Adi Nagler, Celia A. Schiffer, and Moshe Kotler

Publications from 2015

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Modulation of HIV protease flexibility by the T80N mutation, Hao Zhou, Shangyang Li, John Badger, Ellen A. Nalivaika, Yufeng Cai, Jennifer E. Foulkes-Murzycki, Celia A. Schiffer, and Lee Makowski

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Simultaneously Targeting the NS3 Protease and Helicase Activities for More Effective Hepatitis C Virus Therapy, Jean Ndjomou, M Josie. Corby, Noreena L. Sweeney, Alicia M. Hanson, Cihan Aydin, Akbar Ali, Celia A. Schiffer, Kelin Li, Kevin J. Frankowski, Frank J. Schoenen, and David N. Frick

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A Direct Interaction with RNA Dramatically Enhances the Catalytic Activity of the HIV-1 Protease In Vitro, Marc Potempa, Ellen A. Nalivaika, Debra A. Ragland, Sook-Kyung Lee, Celia A. Schiffer, and Ronald Swanstrom

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Structural basis for mutation-induced destabilization of profilin 1 in ALS, Sivakumar Boopathy, Tania V. Silvas, Maeve Tischbein, Silvia Jansen, Shivender Shandilya, Jill A. Zitzewitz, John E. Landers, Bruce L. Goode, Celia A. Schiffer, and Daryl A. Bosco

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Structure of the Vif-binding domain of the antiviral enzyme APOBEC3G, Takahide Kouno, Elizabeth M. Luengas, Megumi Shigematsu, Shivender Shandilya, JingYing Zhang, Luan Chen, Mayuko Hara, Celia A. Schiffer, Reuben S. Harris, and Hiroshi Matsuo

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The ssDNA Mutator APOBEC3A Is Regulated by Cooperative Dimerization, Markus-Frederik Bohn, Shivender Shandilya, Tania V. Silvas, Ellen A. Nalivaika, Takahide Kouno, Brian Kelch, Sean P. Ryder, Nese Kurt Yilmaz, Mohan Somasundaran, and Celia A. Schiffer

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REdiii: a pipeline for automated structure solution, Markus-Frederik Bohn and Celia A. Schiffer

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Structure-Guided Design of a High Affinity Inhibitor to Human CtBP, Brendan J. Hilbert, Benjamin L. Morris, Keith C. Ellis, Janet L. Paulsen, Celia A. Schiffer, Steven R. Grossman, and William E. Royer

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Positive Selection Drives Preferred Segment Combinations during Influenza Virus Reassortment, Konstantin B. Zeldovich, Ping Liu, Nicholas Renzette, Matthieu Foll, Serena T. Pham, Sergey V. Venev, Glen R. Gallagher, Daniel N. Bolon, Evelyn A. Kurt-Jones, Jeffrey D. Jensen, Daniel R. Caffrey, Celia A. Schiffer, Timothy F. Kowalik, Jennifer P. Wang, and Robert W. Finberg

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Drug-resistant HIV-1 protease regains functional dynamics through cleavage site coevolution, Nevra Ozer, Aysegul Ozen, Celia A. Schiffer, and Turkan Haliloglu

Publications from 2014

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Modulation of HIV protease flexibility by the T80N mutation, Hao Zhou, Shangyang Li, John Badger, Ellen A. Nalivaika, Yufeng Cai, Jennifer E. Foulkes-Murzycki, Celia A. Schiffer, and Lee Makowski

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A computational analysis of the structural determinants of APOBEC3's catalytic activity and vulnerability to HIV-1 Vif, Shivender Shandilya, Markus-Frederik Bohn, and Celia A. Schiffer

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Structural analysis of asunaprevir resistance in HCV NS3/4A protease, Djade Soumana, Akbar Ali, and Celia A. Schiffer

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Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease, Aysegul Ozen, Kuan-Hung Lin, Nese Kurt Yilmaz, and Celia A. Schiffer

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Drug resistance conferred by mutations outside the active site through alterations in the dynamic and structural ensemble of HIV-1 protease, Debra A. Ragland, Ellen A. Nalivaika, Madhavi N. L. Nalam, Kristina L. Prachanronarong, Hong Cao, Rajintha M. Bandaranayake, Yufeng Cai, Nese Kurt Yilmaz, and Celia A. Schiffer

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Drug Resistance Mutations Alter Dynamics of Inhibitor-Bound HIV-1 Protease, Yufeng Cai, Wazo Myint, Janet L. Paulsen, Celia A. Schiffer, Rieko Ishima, and Nese Kurt Yilmaz

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HIV-1 protease-substrate coevolution in nelfinavir resistance, Madhavi Kolli, Aysegul Ozen, Nese Kurt Yilmaz, and Celia A. Schiffer

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MassTERi: Promoting Translational Research and Entrepreneurship at the University of Massachusetts Medical School, Melissa J. Moore, Celia A. Schiffer, Anastasia Khvorova, Anita Ballesteros, Cynthia Fuhrmann, Jean A. King, Margaret Koziel, Thomas McCullough, and Linda Plano

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Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design, Brendan J. Hilbert, Steven R. Grossman, Celia A. Schiffer, and William E. Royer

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Influenza virus drug resistance: a time-sampled population genetics perspective, Matthieu Foll, Yu Ping Poh, Nicholas Renzette, Anna Ferrer Admetlla, Claudia Bank, Hyunjin Shim, Anna Sapfo Malaspinas, Gregory Ewing, Ping Liu, Daniel Wegmann, Daniel R. Caffrey, Konstantin B. Zeldovich, Daniel N. A. Bolon, Jennifer Wang, Timothy F. Kowalik, Celia A. Schiffer, Robert W. Finberg, and Jeffrey D. Jensen

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Evolution of the influenza A virus genome during development of oseltamivir resistance in vitro, Nicholas Renzette, Daniel R. Caffrey, Konstantin B. Zeldovich, Ping Liu, Glen R. Gallagher, Daniel Aiello, Alyssa J. Porter, Evelyn A. Kurt-Jones, Daniel N. Bolon, Yu-Ping Poh, Jeffrey D. Jensen, Celia A. Schiffer, Timothy F. Kowalik, Robert W. Finberg, and Jennifer P. Wang

Publications from 2013

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Improving the Resistance Profile of Hepatitis C NS3/4A Inhibitors: Dynamic Substrate Envelope Guided Design, Aysegul Ozen, Woody Sherman, and Celia A. Schiffer

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Development of a Novel Screening Strategy Designed to Discover a New Class of HIV Drugs, Nancy Cheng, Sook-Kyung Lee, P. Scott Donover, Mel Reichman, Celia A. Schiffer, Emily A. Hull-Ryde, Ronald I. Swanstrom, and William P. Janzen

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Testing the substrate-envelope hypothesis with designed pairs of compounds, Yang Shen, Michael D. Altman, Akbar Ali, Madhavi N. L. Nalam, Hong Cao, Tariq M. Rana, Celia A. Schiffer, and Bruce Tidor

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Efficient Computation of Small-Molecule Configurational Binding Entropy and Free Energy Changes by Ensemble Enumeration, Nathaniel W. Silver, Bracken M. King, Madhavi N. L. Nalam, Hong Cao, Akbar Ali, G. S. Kiran Kumar Reddy, Tariq M. Rana, Celia A. Schiffer, and Bruce Tidor

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The interdomain interface in bifunctional enzyme protein 3/4A (NS3/4A) regulates protease and helicase activities, Cihan Aydin, Sourav Mukherjee, Alicia M. Hanson, David N. Frick, and Celia A. Schiffer

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Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance, Madhavi N. L. Nalam, Akbar Ali, G. S. Kiran Kumar Reddy, Hong Cao, Saima G. Anjum, Michael D. Altman, Nese Kurt Yilmaz, Bruce Tidor, Tariq M. Rana, and Celia A. Schiffer

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A sensitive assay using a native protein substrate for screening HIV-1 maturation inhibitors targeting the protease cleavage site between the matrix and capsid, Sook-Kyung Lee, Nancy Cheng, Emily A. Hull-Ryde, Marc Potempa, Celia A. Schiffer, William P. Janzen, and Ronald I. Swanstrom

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Evaluating the Role of Macrocycles in the Susceptibility of Hepatitis C Virus NS3/4A Protease Inhibitors to Drug Resistance, Akbar Ali, Cihan Aydin, Reinhold Gildemeister, Keith P. Romano, Hong Cao, Aysegul Ozen, Djade Soumana, Alicia Newton, Christos J. Petropoulos, Wei Huang, and Celia A. Schiffer

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Interview with Celia Schiffer, Celia A. Schiffer

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Prototypical Recombinant Multi-Protease Inhibitor Resistant Infectious Molecular Clones of Human Immunodeficiency Virus Type-1, Vici Varghese, Yumi Mitsuya, W. Jeffrey Fessel, Tommy F. Liu, George L. Melikian, David A. Katzenstein, Celia A. Schiffer, Susan P. Holmes, and Robert W. Shafer

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Crystal Structure of the DNA Cytosine Deaminase APOBEC3F: The Catalytically Active and HIV-1 Vif-Binding Domain, Markus-Frederik Bohn, Shivender M. D. Shandilya, John S. Albin, Takahide Kouno, Brett D. Anderson, Rebecca M. McDougle, Michael A. Carpenter, Anurag Rathore, Leah Evans, Ahkillah N. Davis, JingYing Zhang, Yongjian Lu, Mohan Somasundaran, Hiroshi Matsuo, Reuben S. Harris, and Celia A. Schiffer

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Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50, Seema Mittal, Rajintha M. Bandaranayake, Nancy M. King, Moses Prabu-Jeyabalan, Madhavi N. L. Nalam, Ellen A. Nalivaika, Nese Kurt Yilmaz, and Celia A. Schiffer

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Cooperative effects of drug-resistance mutations in the flap region of HIV-1 protease, Jennifer E. Foulkes-Murzycki, Christina Rosi, Nese Kurt Yilmaz, Robert W. Shafer, and Celia A. Schiffer

Publications from 2012

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Methyl- and Normal-Cytosine Deamination by the Foreign DNA Restriction Enzyme APOBEC3A, Michael A. Carpenter, Ming Li, Anurag Rathore, Lela Lackey, Emily R. Law, Allison M. Land, Brandon Leonard, Shivender M. D. Shandilya, Markus-Frederik Bohn, Celia A. Schiffer, William L. Brown, and Reuben S. Harris

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Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease, Nancy M. King, Moses Prabu-Jeyabalan, Rajintha M. Bandaranayake, Madhavi N. L. Nalam, Ellen A. Nalivaika, Aysegul Ozen, Turkan Haliloglu, Nese Kurt Yilmaz, and Celia A. Schiffer

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Structural insights into neuronal K+ channel-calmodulin complexes, Karen Mruk, Shivender Shandilya, Robert O. Blaustein, Celia A. Schiffer, and William R. Kobertz

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Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance, Maloy Kumar Parai, David J. Huggins, Hong Cao, Madhavi N. L. Nalam, Akbar Ali, Celia A. Schiffer, Bruce Tidor, and Tariq M. Rana

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The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors, Keith P. Romano, Akbar Ali, Cihan Aydin, Djade Soumana, Aysegul Ozen, Laura M. Deveau, Casey Silver, Hong Cao, Alicia Newton, Christos J. Petropoulos, Wei Huang, and Celia A. Schiffer

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Mass spectrometry tools for analysis of intermolecular interactions, Jared R. Auclair, Mohan Somasundaran, Karin M. Green, James E. Evans, Celia A. Schiffer, Dagmar Ringe, Gregory A. Petsko, and Jeffrey N. Agar

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Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease, Oscar Alvizo, Seema Mittal, Stephen L. Mayo, and Celia A. Schiffer

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Quantitative comparison of errors in 15N transverse relaxation rates measured using various CPMG phasing schemes, Wazo Myint, Yufeng Cai, Celia A. Schiffer, and Rieko Ishima

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Context surrounding processing sites is crucial in determining cleavage rate of a subset of processing sites in HIV-1 Gag and Gag-Pro-Pol polyprotein precursors by viral protease, Sook-Kyung Lee, Marc Potempa, Madhavi Kolli, Aysegul Ozen, Celia A. Schiffer, and Ronald I. Swanstrom

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First-in-class small molecule inhibitors of the single-strand DNA cytosine deaminase APOBEC3G, Ming Li, Shivender Shandilya, Michael A. Carpenter, Anurag Rathore, William L. Brown, Angela L. Perkins, Daniel A. Harki, Jonathan Solberg, Derek J. Hook, Krishan K. Pandey, Michael A. Parniak, Jeffrey R. Johnson, Nevan J. Krogan, Mohan Somasundaran, Akbar Ali, Celia A. Schiffer, and Reuben S. Harris

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Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease, Seema Mittal, Yufeng Cai, Madhavi N. L. Nalam, Daniel N. A. Bolon, and Celia A. Schiffer

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Decomposing the energetic impact of drug-resistant mutations: the example of HIV-1 protease-DRV binding, Yufeng Cai and Celia A. Schiffer

Publications from 2011

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TMC310911, a Novel Human Immunodeficiency Virus Type 1 Protease Inhibitor, Shows In Vitro an Improved Resistance Profile and Higher Genetic Barrier to Resistance Compared with Current Protease Inhibitors, Inge Dierynck, Herwig Van Marck, Marcia Van Ginderen, Tim H. M. Jonckers, Madhavi N. L. Nalam, Celia A. Schiffer, Araz Raoof, Guenter Kraus, and Gaston Picchio

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The challenge of developing robust drugs to overcome resistance, Amy C. Anderson, Michael P. Pollastri, Celia A. Schiffer, and Norton P. Peet

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Molecular mechanisms of viral and host cell substrate recognition by hepatitis C virus NS3/4A protease, Keith P. Romano, Jennifer M. Laine, Laura M. Deveau, Hong Cao, Francesca Massi, and Celia A. Schiffer

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Dynamics of preferential substrate recognition in HIV-1 protease: redefining the substrate envelope, Aysegul Ozen, Turkan Haliloglu, and Celia A. Schiffer

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Three residues in HIV-1 matrix contribute to protease inhibitor susceptibility and replication capacity, Chris M. Parry, Madhavi Kolli, Richard E. Myers, Patricia A. Cane, Celia A. Schiffer, and Deenan Pillay

Publications from 2010

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Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding, Keith P. Romano, Akbar Ali, William E. Royer, and Celia A. Schiffer

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Molecular Basis for Drug Resistance in HIV-1 Protease, Akbar Ali, Rajintha M. Bandaranayake, Yufeng Cai, Nancy M. King, Madhavi Kolli, Seema Mittal, Jennifer E. Foulkes-Murzycki, Madhavi N. L. Nalam, Ellen A. Nalivaika, Aysegul Ozen, Moses Prabu-Jeyabalan, Kelly Thayer, and Celia A. Schiffer

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Structure-based design, synthesis, and structure-activity relationship studies of HIV-1 protease inhibitors incorporating phenyloxazolidinones, Akbar Ali, G. S. Kiran Kumar Reddy, Madhavi N. L. Nalam, Saima G. Anjum, Hong Cao, Celia A. Schiffer, and Tariq M. Rana

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The effect of clade-specific sequence polymorphisms on HIV-1 protease activity and inhibitor resistance pathways, Rajintha M. Bandaranayake, Madhavi Kolli, Nancy M. King, Ellen A. Nalivaika, Annie Heroux, Junko Kakizawa, Wataru Sugiura, and Celia A. Schiffer

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Therapeutic targeting of C-terminal binding protein in human cancer, Michael W. Straza, Seema Paliwal, Ramesh C. Kovi, Barur R. Rajeshkumar, Peter Trenh, Daniel Parker, Giles F. Whalen, Stephen Lyle, Celia A. Schiffer, and Steven R. Grossman

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Rationale for more diverse inhibitors in competition with substrates in HIV-1 protease, Nevra Ozer, Celia A. Schiffer, and Turkan Haliloglu

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Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance, Madhavi N. L. Nalam, Akbar Ali, Michael D. Altman, G. S. Kiran Kumar Reddy, Sripriya Chellappan, Visvaldas Kairys, Aysegul Ozen, Hong Cao, Michael K. Gilson, Bruce Tidor, Tariq M. Rana, and Celia A. Schiffer

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Decomposing the energetic impact of drug resistant mutations in HIV-1 protease on binding DRV, Yufeng Cai and Celia A. Schiffer

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Crystal structure of the APOBEC3G catalytic domain reveals potential oligomerization interfaces., Shivender Shandilya, Madhavi N. L. Nalam, Ellen A. Nalivaika, Phillip J. Gross, Johnathan C. Valesano, Keisuke Shindo, Ming Li, Mary Munson, William E. Royer, Elena Harjes, Takahide Kono, Hiroshi Matsuo, Reuben S. Harris, Mohan Somasundaran, and Celia A. Schiffer

Publications from 2009

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Human immunodeficiency virus type 1 protease-correlated cleavage site mutations enhance inhibitor resistance, Madhavi Kolli, Eric Stawiski, Colombe Chappey, and Celia A. Schiffer

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Toward the design of mutation-resistant enzyme inhibitors: further evaluation of the substrate envelope hypothesis, Visvaldas Kairys, Michael K. Gilson, Viney Lather, Celia A. Schiffer, and Miguel X. Fernandes

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New approaches to HIV protease inhibitor drug design II: testing the substrate envelope hypothesis to avoid drug resistance and discover robust inhibitors, Madhavi N. L. Nalam and Celia A. Schiffer

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Additivity in the analysis and design of HIV protease inhibitors, Robert N. Jorissen, G. S. Kiran Kumar Reddy, Akbar Ali, Michael D. Altman, Sripriya Chellappan, Saima G. Anjum, Bruce Tidor, Celia A. Schiffer, Tariq M. Rana, and Michael K. Gilson

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Viral protease inhibitors, Jeffrey Anderson, Celia A. Schiffer, Sook-Kyung Lee, and Ronald I. Swanstrom

Publications from 2008

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Insights into interferon regulatory factor activation from the crystal structure of dimeric IRF5, Weijun Chen, Suvana S. Lam, Hema Srinath, Zhaozhao Jiang, John J. Correia, Celia A. Schiffer, Katherine A. Fitzgerald, Kai Lin, and William E. Royer

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Resilience to resistance of HIV-1 protease inhibitors: profile of darunavir, Eric Lefebvre and Celia A. Schiffer

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Structural analysis of human immunodeficiency virus type 1 CRF01_AE protease in complex with the substrate p1-p6., Rajintha M. Bandaranayake, Moses Prabu-Jeyabalan, Junko Kakizawa, Wataru Sugiura, and Celia A. Schiffer

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Contribution of Ser386 and Ser396 to activation of interferon regulatory factor 3, Weijun Chen, Hema Srinath, Suvana S. Lam, Celia A. Schiffer, William E. Royer, and Kai Lin

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HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants, Michael D. Altman, Akbar Ali, G. S. Kiran Kumar Reddy, Madhavi N. L. Nalam, Saima G. Anjum, Hong Cao, Sripriya Chellappan, Visvaldas Kairys, Miguel X. Fernandes, Michael K. Gilson, Celia A. Schiffer, Tariq M. Rana, and Bruce Tidor