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Celia A Schiffer PhD

TitleChair and Professor
Endowed TitleArthur F. and Helen P. Koskinas Professor of Biochemistry and Molecular Biotechnology
InstitutionUMass Chan Medical School
DepartmentBiochemistry and Molecular Biotechnology
AddressUMass Chan Medical School
364 Plantation Street LRB
Worcester MA 01605
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    Other Positions
    InstitutionT.H. Chan School of Medicine
    DepartmentBiochemistry and Molecular Biotechnology

    InstitutionT.H. Chan School of Medicine
    DepartmentChemical Biology

    InstitutionT.H. Chan School of Medicine
    DepartmentInstitute for Drug Resistance

    InstitutionMorningside Graduate School of Biomedical Sciences
    DepartmentBiochemistry and Molecular Biotechnology

    InstitutionMorningside Graduate School of Biomedical Sciences
    DepartmentBiophysical Chemical and Computational Biology

    InstitutionMorningside Graduate School of Biomedical Sciences
    DepartmentImmunology and Microbiology Program

    InstitutionMorningside Graduate School of Biomedical Sciences
    DepartmentInterdisciplinary Graduate Program

    InstitutionMorningside Graduate School of Biomedical Sciences
    DepartmentMD/PhD Program

    InstitutionMorningside Graduate School of Biomedical Sciences
    DepartmentPostbaccalaureate Research Education Program

    InstitutionUMass Chan Programs, Centers and Institutes
    DepartmentBioinformatics and Integrative Biology

    InstitutionUMass Chan Programs, Centers and Institutes
    DepartmentChemical Biology

    Collapse Biography 
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    University of Chicago, Chicago, IL, United StatesBAPhysics
    University of California, San Francisco, San Francisco, CA, United StatesPHDBiophysics

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    Academic Background

    B.A., University of Chicago, 1986
    Ph.D., University of California, San Francisco, 1992

    Postdoctoral Fellow, ETH-Zurich, 1992-94
    Postdoctoral Fellow, Genentech, 1994-97

    Interface of Evolution and Structure Based Drug Design


    Constraining evolution and avoiding drug resistance

    Drug resistance occurs when, through evolution, a disease no longer responds to medications. Resistance impacts the lives of millions, limiting the effectiveness of many of our most potent drugs. This often happens under the selective pressure of therapy in bacterial, viral and fungal infections and cancer due to their rapid evolution.

    We combine a variety of experimental and computational techniques to understand the molecular basis of drug resistance. Our new paradigm of drug design minimizes chances of resistance. Realizing that disrupting the drug target’s activity is necessary but not sufficient for developing a robust drug that avoids resistance.

    Strategies and Systems

    We use multidisciplinary approaches, combining crystallography, enzymology, molecular dynamics and organic chemistry, to elucidate the molecular mechanisms of drug resistance. Resistance occurs when a heterogeneous populations of a drug target is challenged by the selective pressure of a drug. In cancer and viruses this heterogeneity is partially caused APOBEC3’s. We discovered resistance mutations occur either where drugs physically contact regions of the drug target that are not essential for substrate recognition or alter the ensemble dynamics of the drug target favoring substrate. We leverage these insights into a new strategies in structure-based drug design to minimize the likelihood for resistance by designing inhibitors to stay within the substrate envelope. This strategy not only describes most of the primary drug resistance for HIV, Hepatitis C viral protease inhibitors and influenza neuraminidase, but is generally applicable in the development of novel drugs that are less susceptible to resistance.


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    Collapse selected publications
    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Faculty can login to make corrections and additions.
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    PMC Citations indicate the number of times the publication was cited by articles in PubMed Central, and the Altmetric score represents citations in news articles and social media. (Note that publications are often cited in additional ways that are not shown here.) Fields are based on how the National Library of Medicine (NLM) classifies the publication's journal and might not represent the specific topic of the publication. Translation tags are based on the publication type and the MeSH terms NLM assigns to the publication. Some publications (especially newer ones and publications not in PubMed) might not yet be assigned Field or Translation tags.) Click a Field or Translation tag to filter the publications.
    1. Flynn JM, Zvornicanin SN, Tsepal T, Shaqra AM, Kurt Yilmaz N, Jia W, Moquin S, Dovala D, Schiffer CA, Bolon DNA. Contributions of Hyperactive Mutations in Mpro from SARS-CoV-2 to Drug Resistance. ACS Infect Dis. 2024 04 12; 10(4):1174-1184. PMID: 38472113.
    2. Lee JM, Zeng J, Liu P, Nguyen MA, Loustaunau DS, Bauer DE, Yilmaz NK, Wolfe SA, Schiffer CA. Direct delivery of stabilized Cas-embedded base editors achieves efficient and accurate editing of clinically relevant targets. bioRxiv. 2024 Feb 08. PMID: 38370706.
    3. Boby ML, Fearon D, Ferla M, Filep M, Koekemoer L, Robinson MC, Chodera JD, Lee AA, London N, von Delft A, von Delft F, Achdout H, Aimon A, Alonzi DS, Arbon R, Aschenbrenner JC, Balcomb BH, Bar-David E, Barr H, Ben-Shmuel A, Bennett J, Bilenko VA, Borden B, Boulet P, Bowman GR, Brewitz L, Brun J, Bvnbs S, Calmiano M, Carbery A, Carney DW, Cattermole E, Chang E, Chernyshenko E, Clyde A, Coffland JE, Cohen G, Cole JC, Contini A, Cox L, Croll TI, Cvitkovic M, De Jonghe S, Dias A, Donckers K, Dotson DL, Douangamath A, Duberstein S, Dudgeon T, Dunnett LE, Eastman P, Erez N, Eyermann CJ, Fairhead M, Fate G, Fedorov O, Fernandes RS, Ferrins L, Foster R, Foster H, Fraisse L, Gabizon R, Garc?a-Sastre A, Gawriljuk VO, Gehrtz P, Gileadi C, Giroud C, Glass WG, Glen RC, Glinert I, Godoy AS, Gorichko M, Gorrie-Stone T, Griffen EJ, Haneef A, Hassell Hart S, Heer J, Henry M, Hill M, Horrell S, Huang QYJ, Huliak VD, Hurley MFD, Israely T, Jajack A, Jansen J, Jnoff E, Jochmans D, John T, Kaminow B, Kang L, Kantsadi AL, Kenny PW, Kiappes JL, Kinakh SO, Kovar B, Krojer T, La VNT, Laghnimi-Hahn S, Lefker BA, Levy H, Lithgo RM, Logvinenko IG, Lukacik P, Macdonald HB, MacLean EM, Makower LL, Malla TR, Marples PG, Matviiuk T, McCorkindale W, McGovern BL, Melamed S, Melnykov KP, Michurin O, Miesen P, Mikolajek H, Milne BF, Minh D, Morris A, Morris GM, Morwitzer MJ, Moustakas D, Mowbray CE, Nakamura AM, Neto JB, Neyts J, Nguyen L, Noske GD, Oleinikovas V, Oliva G, Overheul GJ, Owen CD, Pai R, Pan J, Paran N, Payne AM, Perry B, Pingle M, Pinjari J, Politi B, Powell A, P?en?k V, Pulido I, Puni R, Rangel VL, Reddi RN, Rees P, Reid SP, Reid L, Resnick E, Ripka EG, Robinson RP, Rodriguez-Guerra J, Rosales R, Rufa DA, Saar K, Saikatendu KS, Salah E, Schaller D, Scheen J, Schiffer CA, Schofield CJ, Shafeev M, Shaikh A, Shaqra AM, Shi J, Shurrush K, Singh S, Sittner A, Sj? P, Skyner R, Smalley A, Smeets B, Smilova MD, Solmesky LJ, Spencer J, Strain-Damerell C, Swamy V, Tamir H, Taylor JC, Tennant RE, Thompson W, Thompson A, Tom?sio S, Tomlinson CWE, Tsurupa IS, Tumber A, Vakonakis I, van Rij RP, Vangeel L, Varghese FS, Vaschetto M, Vitner EB, Voelz V, Volkamer A, Walsh MA, Ward W, Weatherall C, Weiss S, White KM, Wild CF, Witt KD, Wittmann M, Wright N, Yahalom-Ronen Y, Yilmaz NK, Zaidmann D, Zhang I, Zidane H, Zitzmann N, Zvornicanin SN. Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors. Science. 2023 11 10; 382(6671):eabo7201. PMID: 37943932.
      Citations: 6     Fields:    Translation:HumansCells
    4. Ponnienselvan K, Liu P, Nyalile T, Oikemus S, Joynt AT, Kelly K, Guo D, Chen Z, Lee JM, Schiffer CA, Emerson CP, Lawson ND, Watts JK, Sontheimer EJ, Luban J, Wolfe SA. Addressing the dNTP bottleneck restricting prime editing activity. bioRxiv. 2023 Oct 29. PMID: 37904991.
    5. Flynn JM, Huang QYJ, Zvornicanin SN, Schneider-Nachum G, Shaqra AM, Yilmaz NK, Moquin SA, Dovala D, Schiffer CA, Bolon DNA. Systematic Analyses of the Resistance Potential of Drugs Targeting SARS-CoV-2 Main Protease. ACS Infect Dis. 2023 07 14; 9(7):1372-1386. PMID: 37390404.
      Citations: 1     Fields:    Translation:HumansCells
    6. Adams ST, Zephyr J, Bohn MF, Schiffer CA, Miller SC. FruitFire: a luciferase based on a fruit fly metabolic enzyme. bioRxiv. 2023 Jun 30. PMID: 37425765.
    7. Lockbaum GJ, Rusere LN, Henes M, Kosovrasti K, Rao DN, Spielvogel E, Lee SK, Nalivaika EA, Swanstrom R, Yilmaz NK, Schiffer CA, Ali A. HIV-1 protease inhibitors with a P1 phosphonate modification maintain potency against drug-resistant variants by increased interactions with flap residues. Eur J Med Chem. 2023 Sep 05; 257:115501. PMID: 37244161.
      Citations:    Fields:    Translation:Cells
    8. Zvornicanin SN, Shaqra AM, Huang QJ, Ornelas E, Moghe M, Knapp M, Moquin S, Dovala D, Schiffer CA, Kurt Yilmaz N. Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses. Viruses. 2023 03 18; 15(3). PMID: 36992489.
      Citations:    Fields:    Translation:HumansAnimalsCellsPHPublic Health
    9. Spielvogel E, Lee SK, Zhou S, Lockbaum GJ, Henes M, Sondgeroth A, Kosovrasti K, Nalivaika EA, Ali A, Yilmaz NK, Schiffer CA, Swanstrom R. Selection of HIV-1 for resistance to fifth-generation protease inhibitors reveals two independent pathways to high-level resistance. Elife. 2023 03 15; 12. PMID: 36920025.
      Citations: 6     Fields:    Translation:HumansCells
    10. Peterson ND, Tse SY, Huang QJ, Wani KA, Schiffer CA, Pukkila-Worley R. Non-canonical pattern recognition of a pathogen-derived metabolite by a nuclear hormone receptor identifies virulent bacteria in C.?elegans. Immunity. 2023 04 11; 56(4):768-782.e9. PMID: 36804958.
      Citations: 6     Fields:    Translation:AnimalsCells
    11. Maiti A, Hedger AK, Myint W, Balachandran V, Watts JK, Schiffer CA, Matsuo H. Structure of the catalytically active APOBEC3G bound to a DNA oligonucleotide inhibitor reveals tetrahedral geometry of the transition state. Nat Commun. 2022 11 19; 13(1):7117. PMID: 36402773.
      Citations: 2     Fields:    Translation:Cells
    12. Zephyr J, Rao DN, Johnson C, Shaqra AM, Nalivaika EA, Jordan A, Kurt Yilmaz N, Ali A, Schiffer CA. Allosteric quinoxaline-based inhibitors of the flavivirus NS2B/NS3 protease. Bioorg Chem. 2023 02; 131:106269. PMID: 36446201.
      Citations:    Fields:    Translation:HumansCells
    13. Mondal S, Chen Y, Lockbaum GJ, Sen S, Chaudhuri S, Reyes AC, Lee JM, Kaur AN, Sultana N, Cameron MD, Shaffer SA, Schiffer CA, Fitzgerald KA, Thompson PR. Dual Inhibitors of Main Protease (MPro) and Cathepsin L as Potent Antivirals against SARS-CoV2. J Am Chem Soc. 2022 11 23; 144(46):21035-21045. PMID: 36356199.
      Citations: 9     Fields:    Translation:HumansAnimalsCells
    14. Li Q, Humphries F, Girardin RC, Wallace A, Ejemel M, Amcheslavsky A, McMahon CT, Schiller ZA, Ma Z, Cruz J, Dupuis AP, Payne AF, Maryam A, Yilmaz NK, McDonough KA, Pierce BG, Schiffer CA, Kruse AC, Klempner MS, Cavacini LA, Fitzgerald KA, Wang Y. Mucosal nanobody IgA as inhalable and affordable prophylactic and therapeutic treatment against SARS-CoV-2 and emerging variants. Front Immunol. 2022; 13:995412. PMID: 36172366.
      Citations: 2     Fields:    Translation:HumansAnimalsCells
    15. Shaqra AM, Zvornicanin SN, Huang QYJ, Lockbaum GJ, Knapp M, Tandeske L, Bakan DT, Flynn J, Bolon DNA, Moquin S, Dovala D, Kurt Yilmaz N, Schiffer CA. Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance. Nat Commun. 2022 06 21; 13(1):3556. PMID: 35729165.
      Citations: 24     Fields:    Translation:HumansCellsPHPublic Health
    16. Flynn JM, Samant N, Schneider-Nachum G, Barkan DT, Yilmaz NK, Schiffer CA, Moquin SA, Dovala D, Bolon DNA. Comprehensive fitness landscape of SARS-CoV-2 Mpro reveals insights into viral resistance mechanisms. Elife. 2022 06 20; 11. PMID: 35723575.
      Citations: 26     Fields:    Translation:HumansAnimalsCells
    17. Myint W, Schiffer CA, Matsuo H. HIV-1 VIF and human APOBEC3G interaction directly observed through molecular specific labeling using a new dual promotor vector. J Magn Reson. 2022 06; 339:107230. PMID: 35550909.
      Citations:    Fields:    Translation:HumansCells
    18. Huang QJ, Song K, Xu C, Bolon DNA, Wang JP, Finberg RW, Schiffer CA, Somasundaran M. Quantitative structural analysis of influenza virus by cryo-electron tomography and convolutional neural networks. Structure. 2022 05 05; 30(5):777-786.e3. PMID: 35290796.
      Citations: 3     Fields:    Translation:HumansCells
    19. Schiffer CA, Hazuda DJ. Call for Papers: Drug Resistance in Infectious Diseases and Beyond. ACS Infect Dis. 2022 04 08; 8(4):665-666. PMID: 35263097.
      Citations:    Fields:    Translation:Humans
    20. Zephyr J, Nageswara Rao D, Vo SV, Henes M, Kosovrasti K, Matthew AN, Hedger AK, Timm J, Chan ET, Ali A, Kurt Yilmaz N, Schiffer CA. Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J Mol Biol. 2022 05 15; 434(9):167503. PMID: 35183560.
      Citations: 2     Fields:    Translation:HumansCells
    21. Jiang L, Samant N, Liu P, Somasundaran M, Jensen JD, Marasco WA, Kowalik TF, Schiffer CA, Finberg RW, Wang JP, Bolon DNA. Identification of a Permissive Secondary Mutation That Restores the Enzymatic Activity of Oseltamivir Resistance Mutation H275Y. J Virol. 2022 03 23; 96(6):e0198221. PMID: 35045267.
      Citations:    Fields:    Translation:HumansCells
    22. Schneider-Nachum G, Flynn J, Mavor D, Schiffer CA, Bolon DNA. Analyses of HIV proteases variants at the threshold of viability reveals relationships between processing efficiency and fitness. Virus Evol. 2021 Sep; 7(2):veab103. PMID: 35299788.
    23. Zephyr J, Kurt Yilmaz N, Schiffer CA. Viral proteases: Structure, mechanism and inhibition. Enzymes. 2021; 50:301-333. PMID: 34861941.
      Citations: 11     Fields:    Translation:HumansCells
    24. Lockbaum GJ, Henes M, Lee JM, Timm J, Nalivaika EA, Thompson PR, Kurt Yilmaz N, Schiffer CA. Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode. Biochemistry. 2021 10 05; 60(39):2925-2931. PMID: 34506130.
      Citations: 10     Fields:    Translation:Cells
    25. Nageswara Rao D, Zephyr J, Henes M, Chan ET, Matthew AN, Hedger AK, Conway HL, Saeed M, Newton A, Petropoulos CJ, Huang W, Kurt Yilmaz N, Schiffer CA, Ali A. Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J Med Chem. 2021 08 26; 64(16):11972-11989. PMID: 34405680.
      Citations: 4     Fields:    Translation:AnimalsCells
    26. Muecksch F, Weisblum Y, Barnes CO, Schmidt F, Schaefer-Babajew D, Wang Z, C Lorenzi JC, Flyak AI, DeLaitsch AT, Huey-Tubman KE, Hou S, Schiffer CA, Gaebler C, Da Silva J, Poston D, Finkin S, Cho A, Cipolla M, Oliveira TY, Millard KG, Ramos V, Gazumyan A, Rutkowska M, Caskey M, Nussenzweig MC, Bjorkman PJ, Hatziioannou T, Bieniasz PD. Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity. 2021 08 10; 54(8):1853-1868.e7. PMID: 34331873.
      Citations: 157     Fields:    Translation:HumansCells
    27. Hall MD, Anderson JM, Anderson A, Baker D, Bradner J, Brimacombe KR, Campbell EA, Corbett KS, Carter K, Cherry S, Chiang L, Cihlar T, de Wit E, Denison M, Disney M, Fletcher CV, Ford-Scheimer SL, G?tte M, Grossman AC, Hayden FG, Hazuda DJ, Lanteri CA, Marston H, Mesecar AD, Moore S, Nwankwo JO, O'Rear J, Painter G, Singh Saikatendu K, Schiffer CA, Sheahan TP, Shi PY, Smyth HD, Sofia MJ, Weetall M, Weller SK, Whitley R, Fauci AS, Austin CP, Collins FS, Conley AJ, Davis MI. Report of the National Institutes of Health SARS-CoV-2 Antiviral Therapeutics Summit. J Infect Dis. 2021 Jul 15; 224(Supplement_1):S1-S21. PMID: 34111271.
      Citations: 20     Fields:    Translation:HumansCells
    28. Hou S, Lee JM, Myint W, Matsuo H, Kurt Yilmaz N, Schiffer CA. Structural basis of substrate specificity in human cytidine deaminase family APOBEC3s. J Biol Chem. 2021 08; 297(2):100909. PMID: 34171358.
      Citations: 7     Fields:    Translation:HumansCells
    29. Leidner F, Kurt Yilmaz N, Schiffer CA. Deciphering Antifungal Drug Resistance in Pneumocystis jirovecii DHFR with Molecular Dynamics and Machine Learning. J Chem Inf Model. 2021 06 28; 61(6):2537-2541. PMID: 34138546.
      Citations: 3     Fields:    Translation:AnimalsCells
    30. Leidner F, Kurt Yilmaz N, Schiffer CA. Deciphering Complex Mechanisms of Resistance and Loss of Potency through Coupled Molecular Dynamics and Machine Learning. J Chem Theory Comput. 2021 Apr 13; 17(4):2054-2064. PMID: 33783217.
      Citations: 7     Fields:    Translation:Cells
    31. Kurt Yilmaz N, Schiffer CA. Introduction: Drug Resistance. Chem Rev. 2021 03 24; 121(6):3235-3237. PMID: 33757288.
      Citations: 13     Fields:    Translation:HumansCells
    32. Muecksch F, Weisblum Y, Barnes CO, Schmidt F, Schaefer-Babajew D, Lorenzi JCC, Flyak AI, DeLaitsch AT, Huey-Tubman KE, Hou S, Schiffer CA, Gaebler C, Wang Z, Da Silva J, Poston D, Finkin S, Cho A, Cipolla M, Oliveira TY, Millard KG, Ramos V, Gazumyan A, Rutkowska M, Caskey M, Nussenzweig MC, Bjorkman PJ, Hatziioannou T, Bieniasz PD. Development of potency, breadth and resilience to viral escape mutations in SARS-CoV-2 neutralizing antibodies. bioRxiv. 2021 Mar 08. PMID: 33758864.
    33. Lockbaum GJ, Henes M, Talledge N, Rusere LN, Kosovrasti K, Nalivaika EA, Somasundaran M, Ali A, Mansky LM, Kurt Yilmaz N, Schiffer CA. Inhibiting HTLV-1 Protease: A Viable Antiviral Target. ACS Chem Biol. 2021 03 19; 16(3):529-538. PMID: 33619959.
      Citations: 6     Fields:    Translation:HumansCells
    34. Nichols JC, Schiffer CA, Royer WE. NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP). J Biol Chem. 2021 Jan-Jun; 296:100351. PMID: 33524397.
      Citations: 3     Fields:    Translation:HumansCells
    35. Harshbarger WD, Deming D, Lockbaum GJ, Attatippaholkun N, Kamkaew M, Hou S, Somasundaran M, Wang JP, Finberg RW, Zhu QK, Schiffer CA, Marasco WA. Unique structural solution from a VH3-30 antibody targeting the hemagglutinin stem of influenza A viruses. Nat Commun. 2021 01 25; 12(1):559. PMID: 33495478.
      Citations: 6     Fields:    Translation:HumansCells
    36. Lockbaum GJ, Reyes AC, Lee JM, Tilvawala R, Nalivaika EA, Ali A, Kurt Yilmaz N, Thompson PR, Schiffer CA. Crystal Structure of SARS-CoV-2 Main Protease in Complex with the Non-Covalent Inhibitor ML188. Viruses. 2021 01 25; 13(2). PMID: 33503819.
      Citations: 47     Fields:    Translation:Cells
    37. Maiti A, Hou S, Schiffer CA, Matsuo H. Interactions of APOBEC3s with DNA and RNA. Curr Opin Struct Biol. 2021 04; 67:195-204. PMID: 33486429.
      Citations: 8     Fields:    
    38. Matthew AN, Leidner F, Lockbaum GJ, Henes M, Zephyr J, Hou S, Rao DN, Timm J, Rusere LN, Ragland DA, Paulsen JL, Prachanronarong K, Soumana DI, Nalivaika EA, Kurt Yilmaz N, Ali A, Schiffer CA. Drug Design Strategies to Avoid Resistance in Direct-Acting Antivirals and Beyond. Chem Rev. 2021 03 24; 121(6):3238-3270. PMID: 33410674.
      Citations: 27     Fields:    Translation:HumansCells
    39. Jecrois AM, Dcona MM, Deng X, Bandyopadhyay D, Grossman SR, Schiffer CA, Royer WE. Cryo-EM structure of CtBP2 confirms tetrameric architecture. Structure. 2021 04 01; 29(4):310-319.e5. PMID: 33264605.
      Citations: 9     Fields:    Translation:HumansCells
    40. Maiti A, Myint W, Delviks-Frankenberry KA, Hou S, Kanai T, Balachandran V, Sierra Rodriguez C, Tripathi R, Kurt Yilmaz N, Pathak VK, Schiffer CA, Matsuo H. Crystal Structure of a Soluble APOBEC3G Variant Suggests ssDNA to Bind in a Channel that Extends between the Two Domains. J Mol Biol. 2020 11 20; 432(23):6042-6060. PMID: 33098858.
      Citations: 7     Fields:    Translation:HumansAnimalsCells
    41. Ejemel M, Li Q, Hou S, Schiller ZA, Tree JA, Wallace A, Amcheslavsky A, Kurt Yilmaz N, Buttigieg KR, Elmore MJ, Godwin K, Coombes N, Toomey JR, Schneider R, Ramchetty AS, Close BJ, Chen DY, Conway HL, Saeed M, Ganesa C, Carroll MW, Cavacini LA, Klempner MS, Schiffer CA, Wang Y. A cross-reactive human IgA monoclonal antibody blocks SARS-CoV-2 spike-ACE2 interaction. Nat Commun. 2020 08 21; 11(1):4198. PMID: 32826914.
      Citations: 85     Fields:    Translation:HumansAnimalsCells
    42. Rusere LN, Lockbaum GJ, Henes M, Lee SK, Spielvogel E, Rao DN, Kosovrasti K, Nalivaika EA, Swanstrom R, Kurt Yilmaz N, Schiffer CA, Ali A. Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J Med Chem. 2020 08 13; 63(15):8296-8313. PMID: 32672965.
      Citations: 2     Fields:    Translation:HumansCells
    43. Cai EP, Ishikawa Y, Zhang W, Leite NC, Li J, Hou S, Kiaf B, Hollister-Lock J, Yilmaz NK, Schiffer CA, Melton DA, Kissler S, Yi P. Genome-scale in vivo CRISPR screen identifies RNLS as a target for beta cell protection in type 1 diabetes. Nat Metab. 2020 09; 2(9):934-945. PMID: 32719542.
      Citations: 28     Fields:    Translation:AnimalsCells
    44. Ejemel M, Li Q, Hou S, Schiller ZA, Wallace AL, Amcheslavsky A, Yilmaz NK, Toomey JR, Schneider R, Close BJ, Chen DY, Conway HL, Mohsan S, Cavacini LA, Klempner MS, Schiffer CA, Wang Y. IgA MAb blocks SARS-CoV-2 Spike-ACE2 interaction providing mucosal immunity. bioRxiv. 2020 May 15. PMID: 32511396.
    45. Matthew AN, Zephyr J, Nageswara Rao D, Henes M, Kamran W, Kosovrasti K, Hedger AK, Lockbaum GJ, Timm J, Ali A, Kurt Yilmaz N, Schiffer CA. Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors. mBio. 2020 03 31; 11(2). PMID: 32234812.
      Citations: 9     Fields:    Translation:HumansCells
    46. Lockbaum GJ, Leidner F, Royer WE, Kurt Yilmaz N, Schiffer CA. Optimizing the refinement of merohedrally twinned P61 HIV-1 protease-inhibitor cocrystal structures. Acta Crystallogr D Struct Biol. 2020 Mar 01; 76(Pt 3):302-310. PMID: 32133994.
    47. Whitfield TW, Ragland DA, Zeldovich KB, Schiffer CA. Characterizing Protein-Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease. J Chem Theory Comput. 2020 Feb 11; 16(2):1284-1299. PMID: 31877249.
      Citations: 10     Fields:    Translation:HumansCells
    48. Timm J, Kosovrasti K, Henes M, Leidner F, Hou S, Ali A, Kurt Yilmaz N, Schiffer CA. Molecular and Structural Mechanism of Pan-Genotypic HCV NS3/4A Protease Inhibition by Glecaprevir. ACS Chem Biol. 2020 02 21; 15(2):342-352. PMID: 31868341.
      Citations: 4     Fields:    Translation:Cells
    49. Solomon WC, Myint W, Hou S, Kanai T, Tripathi R, Kurt Yilmaz N, Schiffer CA, Matsuo H. Mechanism for APOBEC3G catalytic exclusion of RNA and non-substrate DNA. Nucleic Acids Res. 2019 08 22; 47(14):7676-7689. PMID: 31424549.
      Citations: 3     Fields:    Translation:HumansCells
    50. Rusere LN, Lockbaum GJ, Lee SK, Henes M, Kosovrasti K, Spielvogel E, Nalivaika EA, Swanstrom R, Yilmaz NK, Schiffer CA, Ali A. HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J Med Chem. 2019 09 12; 62(17):8062-8079. PMID: 31386368.
      Citations: 9     Fields:    Translation:HumansCells
    51. Leidner F, Kurt Yilmaz N, Schiffer CA. Target-Specific Prediction of Ligand Affinity with Structure-Based Interaction Fingerprints. J Chem Inf Model. 2019 09 23; 59(9):3679-3691. PMID: 31381335.
      Citations: 8     Fields:    Translation:HumansCells
    52. Henes M, Kosovrasti K, Lockbaum GJ, Leidner F, Nachum GS, Nalivaika EA, Bolon DNA, Kurt Yilmaz N, Schiffer CA, Whitfield TW. Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance. Biochemistry. 2019 09 03; 58(35):3711-3726. PMID: 31386353.
      Citations: 10     Fields:    Translation:HumansCells
    53. 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. Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. ACS Chem Biol. 2019 11 15; 14(11):2441-2452. PMID: 31361460.
      Citations: 19     Fields:    Translation:HumansCells
    54. Silvas TV, Schiffer CA. APOBEC3s: DNA-editing human cytidine deaminases. Protein Sci. 2019 09; 28(9):1552-1566. PMID: 31241202.
      Citations: 28     Fields:    Translation:HumansCells
    55. Ishima R, Kurt Yilmaz N, Schiffer CA. NMR and MD studies combined to elucidate inhibitor and water interactions of HIV-1 protease and their modulations with resistance mutations. J Biomol NMR. 2019 Jul; 73(6-7):365-374. PMID: 31243634.
      Citations: 5     Fields:    Translation:HumansCells
    56. Lockbaum GJ, Leidner F, Rusere LN, Henes M, Kosovrasti K, Nachum GS, Nalivaika EA, Bolon DNA, Ali A, Kurt Yilmaz N, Schiffer CA. Correction to Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis. 2019 Jun 14; 5(6):1044. PMID: 30990653.
      Citations: 1     Fields:    
    57. Boucher JI, Whitfield TW, Dauphin A, Nachum G, Hollins C, Zeldovich KB, Swanstrom R, Schiffer CA, Luban J, Bolon DNA. Constrained Mutational Sampling of Amino Acids in HIV-1 Protease Evolution. Mol Biol Evol. 2019 04 01; 36(4):798-810. PMID: 30721995.
      Citations: 5     Fields:    Translation:Cells
    58. ?zen A, Prachanronarong K, Matthew AN, Soumana DI, Schiffer CA. Resistance outside the substrate envelope: hepatitis C NS3/4A protease inhibitors. Crit Rev Biochem Mol Biol. 2019 02; 54(1):11-26. PMID: 30821513.
      Citations: 6     Fields:    Translation:HumansAnimalsCells
    59. Prachanronarong KL, Canale AS, Liu P, Somasundaran M, Hou S, Poh YP, Han T, Zhu Q, Renzette N, Zeldovich KB, Kowalik TF, Kurt-Yilmaz N, Jensen JD, Bolon DNA, Marasco WA, Finberg RW, Schiffer CA, Wang JP. Mutations in Influenza A Virus Neuraminidase and Hemagglutinin Confer Resistance against a Broadly Neutralizing Hemagglutinin Stem Antibody. J Virol. 2019 01 15; 93(2). PMID: 30381484.
      Citations: 25     Fields:    Translation:AnimalsCells
    60. Lockbaum GJ, Leidner F, Rusere LN, Henes M, Kosovrasti K, Nachum GS, Nalivaika EA, Ali A, Yilmaz NK, Schiffer CA. Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis. 2019 02 08; 5(2):316-325. PMID: 30543749.
      Citations: 15     Fields:    Translation:HumansCells
    61. Hou S, Silvas TV, Leidner F, Nalivaika EA, Matsuo H, Kurt Yilmaz N, Schiffer CA. Structural Analysis of the Active Site and DNA Binding of Human Cytidine Deaminase APOBEC3B. J Chem Theory Comput. 2019 Jan 08; 15(1):637-647. PMID: 30457868.
      Citations: 11     Fields:    Translation:HumansCells
    62. Potempa M, Lee SK, Kurt Yilmaz N, Nalivaika EA, Rogers A, Spielvogel E, Carter CW, Schiffer CA, Swanstrom R. HIV-1 Protease Uses Bi-Specific S2/S2' Subsites to Optimize Cleavage of Two Classes of Target Sites. J Mol Biol. 2018 12 07; 430(24):5182-5195. PMID: 30414407.
      Citations: 6     Fields:    Translation:Cells
    63. Kaushansky A, Hedstrom L, Goldman A, Singh J, Yang PL, Rathod PK, Cynamon M, Wodarz D, Mahadevan D, Tomaras A, Navia MA, Schiffer CA. A call to arms: Unifying the fight against resistance. Sci Signal. 2018 10 23; 11(553). PMID: 30352947.
      Citations: 2     Fields:    Translation:Humans
    64. Moise L, M Biron B, Boyle CM, Kurt Yilmaz N, Jang H, Schiffer C, M Ross T, Martin WD, De Groot AS. T cell epitope engineering: an avian H7N9 influenza vaccine strategy for pandemic preparedness and response. Hum Vaccin Immunother. 2018; 14(9):2203-2207. PMID: 30015562.
      Citations: 9     Fields:    Translation:HumansAnimalsCells
    65. Matthew AN, Leidner F, Newton A, Petropoulos CJ, Huang W, Ali A, KurtYilmaz N, Schiffer CA. Molecular Mechanism of Resistance in a Clinically Significant Double-Mutant Variant of HCV NS3/4A Protease. Structure. 2018 10 02; 26(10):1360-1372.e5. PMID: 30146168.
      Citations: 10     Fields:    Translation:HumansCells
    66. Maiti A, Myint W, Kanai T, Delviks-Frankenberry K, Sierra Rodriguez C, Pathak VK, Schiffer CA, Matsuo H. Crystal structure of the catalytic domain of HIV-1 restriction factor APOBEC3G in complex with ssDNA. Nat Commun. 2018 06 25; 9(1):2460. PMID: 29941968.
      Citations: 36     Fields:    Translation:HumansCells
    67. Rusere LN, Matthew AN, Lockbaum GJ, Jahangir M, Newton A, Petropoulos CJ, Huang W, Kurt Yilmaz N, Schiffer CA, Ali A. Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants. ACS Med Chem Lett. 2018 Jul 12; 9(7):691-696. PMID: 30034602.
    68. Silvas TV, Hou S, Myint W, Nalivaika E, Somasundaran M, Kelch BA, Matsuo H, Kurt Yilmaz N, Schiffer CA. Substrate sequence selectivity of APOBEC3A implicates intra-DNA interactions. Sci Rep. 2018 05 14; 8(1):7511. PMID: 29760455.
      Citations: 28     Fields:    Translation:HumansCells
    69. Bellesis AG, Jecrois AM, Hayes JA, Schiffer CA, Royer WE. Assembly of human C-terminal binding protein (CtBP) into tetramers. J Biol Chem. 2018 06 08; 293(23):9101-9112. PMID: 29700119.
      Citations: 23     Fields:    Translation:HumansCells
    70. Leidner F, Kurt Yilmaz N, Paulsen J, Muller YA, Schiffer CA. Hydration Structure and Dynamics of Inhibitor-Bound HIV-1 Protease. J Chem Theory Comput. 2018 May 08; 14(5):2784-2796. PMID: 29570286.
      Citations: 13     Fields:    Translation:Cells
    71. Khan SN, Persons JD, Paulsen JL, Guerrero M, Schiffer CA, Kurt-Yilmaz N, Ishima R. Probing Structural Changes among Analogous Inhibitor-Bound Forms of HIV-1 Protease and a Drug-Resistant Mutant in Solution by Nuclear Magnetic Resonance. Biochemistry. 2018 03 13; 57(10):1652-1662. PMID: 29457713.
      Citations: 7     Fields:    Translation:Cells
    72. Canale AS, Venev SV, Whitfield TW, Caffrey DR, Marasco WA, Schiffer CA, Kowalik TF, Jensen JD, Finberg RW, Zeldovich KB, Wang JP, Bolon DNA. Synonymous Mutations at the Beginning of the Influenza A Virus Hemagglutinin Gene Impact Experimental Fitness. J Mol Biol. 2018 04 13; 430(8):1098-1115. PMID: 29466705.
      Citations: 12     Fields:    Translation:HumansAnimalsCells
    73. Avnir Y, Prachanronarong KL, Zhang Z, Hou S, Peterson EC, Sui J, Zayed H, Kurella VB, McGuire AT, Stamatatos L, Hilbert BJ, Bohn MF, Kowalik TF, Jensen JD, Finberg RW, Wang JP, Goodall M, Jefferis R, Zhu Q, Kurt Yilmaz N, Schiffer CA, Marasco WA. Structural Determination of the Broadly Reactive Anti-IGHV1-69 Anti-idiotypic Antibody G6 and Its Idiotope. Cell Rep. 2017 Dec 12; 21(11):3243-3255. PMID: 29241550.
      Citations: 10     Fields:    Translation:HumansCells
    74. Matthew AN, Kurt Yilmaz N, Schiffer CA. Mavyret: A Pan-Genotypic Combination Therapy for the Treatment of Hepatitis C InfectionPublished as part of the Biochemistry series "Biochemistry to Bedside". Biochemistry. 2018 02 06; 57(5):481-482. PMID: 29192768.
      Citations: 1     Fields:    Translation:HumansCells
    75. Ma L, Boucher JI, Paulsen J, Matuszewski S, Eide CA, Ou J, Eickelberg G, Press RD, Zhu LJ, Druker BJ, Branford S, Wolfe SA, Jensen JD, Schiffer CA, Green MR, Bolon DN. CRISPR-Cas9-mediated saturated mutagenesis screen predicts clinical drug resistance with improved accuracy. Proc Natl Acad Sci U S A. 2017 10 31; 114(44):11751-11756. PMID: 29078326.
      Citations: 32     Fields:    Translation:AnimalsCells
    76. Ragland DA, Whitfield TW, Lee SK, Swanstrom R, Zeldovich KB, Kurt-Yilmaz N, Schiffer CA. Elucidating the Interdependence of Drug Resistance from Combinations of Mutations. J Chem Theory Comput. 2017 Nov 14; 13(11):5671-5682. PMID: 28915040.
      Citations: 15     Fields:    Translation:HumansCells
    77. Matthew AN, Zephyr J, Hill CJ, Jahangir M, Newton A, Petropoulos CJ, Huang W, Kurt-Yilmaz N, Schiffer CA, Ali A. Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants. J Med Chem. 2017 07 13; 60(13):5699-5716. PMID: 28594175.
      Citations: 14     Fields:    Translation:HumansCells
    78. Sun B, Dwivedi N, Bechtel TJ, Paulsen JL, Muth A, Bawadekar M, Li G, Thompson PR, Shelef MA, Schiffer CA, Weerapana E, Ho IC. Citrullination of NF-?B p65 promotes its nuclear localization and TLR-induced expression of IL-1? and TNFa. Sci Immunol. 2017 Jun 09; 2(12). PMID: 28783661.
      Citations: 48     Fields:    
    79. Kouno T, Silvas TV, Hilbert BJ, Shandilya SMD, Bohn MF, Kelch BA, Royer WE, Somasundaran M, Kurt Yilmaz N, Matsuo H, Schiffer CA. Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity. Nat Commun. 2017 04 28; 8:15024. PMID: 28452355.
      Citations: 81     Fields:    Translation:HumansCells
    80. Lin KH, Ali A, Rusere L, Soumana DI, Kurt Yilmaz N, Schiffer CA. Dengue Virus NS2B/NS3 Protease Inhibitors Exploiting the Prime Side. J Virol. 2017 05 15; 91(10). PMID: 28298600.
      Citations: 19     Fields:    Translation:HumansCells
    81. Paulsen JL, Leidner F, Ragland DA, Kurt Yilmaz N, Schiffer CA. Interdependence of Inhibitor Recognition in HIV-1 Protease. J Chem Theory Comput. 2017 May 09; 13(5):2300-2309. PMID: 28358514.
      Citations: 12     Fields:    Translation:HumansCells
    82. Prachanronarong KL, ?zen A, Thayer KM, Yilmaz LS, Zeldovich KB, Bolon DN, Kowalik TF, Jensen JD, Finberg RW, Wang JP, Kurt-Yilmaz N, Schiffer CA. Molecular Basis for Differential Patterns of Drug Resistance in Influenza N1 and N2 Neuraminidase. J Chem Theory Comput. 2016 Dec 13; 12(12):6098-6108. PMID: 27951676.
      Citations: 10     Fields:    Translation:HumansCells
    83. Shandilya S, Kurt Yilmaz N, Sadowski A, Monir E, Schiller ZA, Thomas WD, Klempner MS, Schiffer CA, Wang Y. Structural and molecular analysis of a protective epitope of Lyme disease antigen OspA and antibody interactions. J Mol Recognit. 2017 05; 30(5). PMID: 27859766.
      Citations: 5     Fields:    Translation:HumansAnimalsCells
    84. Lin KH, Nalivaika EA, Prachanronarong KL, Yilmaz NK, Schiffer CA. Dengue Protease Substrate Recognition: Binding of the Prime Side. ACS Infect Dis. 2016 10 14; 2(10):734-743. PMID: 27657335.
      Citations: 9     Fields:    Translation:HumansCells
    85. Soumana DI, Kurt Yilmaz N, Ali A, Prachanronarong KL, Schiffer CA. Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J Am Chem Soc. 2016 09 14; 138(36):11850-9. PMID: 27512818.
      Citations: 28     Fields:    Translation:Cells
    86. Kurt Yilmaz N, Swanstrom R, Schiffer CA. Improving Viral Protease Inhibitors to Counter Drug Resistance. Trends Microbiol. 2016 07; 24(7):547-557. PMID: 27090931.
      Citations: 46     Fields:    Translation:Humans
    87. Soumana DI, Kurt Yilmaz N, Prachanronarong KL, Aydin C, Ali A, Schiffer CA. Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172. ACS Chem Biol. 2016 Apr 15; 11(4):900-9. PMID: 26682473.
      Citations: 16     Fields:    
    88. Jiang L, Liu P, Bank C, Renzette N, Prachanronarong K, Yilmaz LS, Caffrey DR, Zeldovich KB, Schiffer CA, Kowalik TF, Jensen JD, Finberg RW, Wang JP, Bolon DNA. A Balance between Inhibitor Binding and Substrate Processing Confers Influenza Drug Resistance. J Mol Biol. 2016 Feb 13; 428(3):538-553. PMID: 26656922.
      Citations: 20     Fields:    Translation:HumansAnimalsCells
    89. Prabhu P, Shandilya SM, Britan-Rosich E, Nagler A, Schiffer CA, Kotler M. Inhibition of APOBEC3G activity impedes double-stranded DNA repair. FEBS J. 2016 Jan; 283(1):112-29. PMID: 26460502.
      Citations: 8     Fields:    Translation:HumansCells
    90. Zhou H, Li S, Badger J, Nalivaika E, Cai Y, Foulkes-Murzycki J, Schiffer C, Makowski L. Modulation of HIV protease flexibility by the T80N mutation. Proteins. 2015 Nov; 83(11):1929-39. PMID: 25488402.
      Citations: 2     Fields:    Translation:Cells
    91. Boopathy S, Silvas TV, Tischbein M, Jansen S, Shandilya SM, Zitzewitz JA, Landers JE, Goode BL, Schiffer CA, Bosco DA. Structural basis for mutation-induced destabilization of profilin 1 in ALS. Proc Natl Acad Sci U S A. 2015 Jun 30; 112(26):7984-9. PMID: 26056300.
      Citations: 37     Fields:    Translation:HumansCells
    92. Ndjomou J, Corby MJ, Sweeney NL, Hanson AM, Aydin C, Ali A, Schiffer CA, Li K, Frankowski KJ, Schoenen FJ, Frick DN. Simultaneously Targeting the NS3 Protease and Helicase Activities for More Effective Hepatitis C Virus Therapy. ACS Chem Biol. 2015 Aug 21; 10(8):1887-96. PMID: 25961497.
      Citations: 2     Fields:    Translation:HumansCells
    93. Kouno T, Luengas EM, Shigematsu M, Shandilya SM, Zhang J, Chen L, Hara M, Schiffer CA, Harris RS, Matsuo H. Structure of the Vif-binding domain of the antiviral enzyme APOBEC3G. Nat Struct Mol Biol. 2015 Jun; 22(6):485-91. PMID: 25984970.
      Citations: 56     Fields:    Translation:HumansCells
    94. Potempa M, Nalivaika E, Ragland D, Lee SK, Schiffer CA, Swanstrom R. A Direct Interaction with RNA Dramatically Enhances the Catalytic Activity of the HIV-1 Protease In Vitro. J Mol Biol. 2015 Jul 17; 427(14):2360-78. PMID: 25986307.
      Citations: 7     Fields:    Translation:HumansCells
    95. Bohn MF, Schiffer CA. REdiii: a pipeline for automated structure solution. Acta Crystallogr D Biol Crystallogr. 2015 May; 71(Pt 5):1059-67. PMID: 25945571.
      Citations: 1     Fields:    Translation:Humans
    96. Bohn MF, Shandilya SMD, Silvas TV, Nalivaika EA, Kouno T, Kelch BA, Ryder SP, Kurt-Yilmaz N, Somasundaran M, Schiffer CA. The ssDNA Mutator APOBEC3A Is Regulated by Cooperative Dimerization. Structure. 2015 May 05; 23(5):903-911. PMID: 25914058.
      Citations: 59     Fields:    Translation:HumansCells
    97. Zeldovich KB, Liu P, Renzette N, Foll M, Pham ST, Venev SV, Gallagher GR, Bolon DN, Kurt-Jones EA, Jensen JD, Caffrey DR, Schiffer CA, Kowalik TF, Wang JP, Finberg RW. Positive Selection Drives Preferred Segment Combinations during Influenza Virus Reassortment. Mol Biol Evol. 2015 Jun; 32(6):1519-32. PMID: 25713211.
      Citations: 10     Fields:    Translation:AnimalsCells
    98. Hilbert BJ, Morris BL, Ellis KC, Paulsen JL, Schiffer CA, Grossman SR, Royer WE. Structure-guided design of a high affinity inhibitor to human CtBP. ACS Chem Biol. 2015 Apr 17; 10(4):1118-27. PMID: 25636004.
      Citations: 17     Fields:    Translation:HumansCells
    99. ?zer N, ?zen A, Schiffer CA, Haliloglu T. Drug-resistant HIV-1 protease regains functional dynamics through cleavage site coevolution. Evol Appl. 2015 Feb; 8(2):185-98. PMID: 25685193.
    100. Shandilya SM, Bohn MF, Schiffer CA. A computational analysis of the structural determinants of APOBEC3's catalytic activity and vulnerability to HIV-1 Vif. Virology. 2014 Dec; 471-473:105-16. PMID: 25461536.
      Citations: 20     Fields:    Translation:HumansCells
    101. ?zen A, Lin KH, Kurt Yilmaz N, Schiffer CA. Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease. Proc Natl Acad Sci U S A. 2014 Nov 11; 111(45):15993-8. PMID: 25355911.
      Citations: 26     Fields:    Translation:HumansCells
    102. Soumana DI, Ali A, Schiffer CA. Structural analysis of asunaprevir resistance in HCV NS3/4A protease. ACS Chem Biol. 2014 Nov 21; 9(11):2485-90. PMID: 25243902.
      Citations: 25     Fields:    Translation:Cells
    103. Ragland DA, Nalivaika EA, Nalam MN, Prachanronarong KL, Cao H, Bandaranayake RM, Cai Y, Kurt-Yilmaz N, Schiffer CA. Drug resistance conferred by mutations outside the active site through alterations in the dynamic and structural ensemble of HIV-1 protease. J Am Chem Soc. 2014 Aug 27; 136(34):11956-63. PMID: 25091085.
      Citations: 52     Fields:    Translation:Cells
    104. Cai Y, Myint W, Paulsen JL, Schiffer CA, Ishima R, Kurt Yilmaz N. Drug Resistance Mutations Alter Dynamics of Inhibitor-Bound HIV-1 Protease. J Chem Theory Comput. 2014 Aug 12; 10(8):3438-3448. PMID: 25136270.
      Citations: 23     Fields:    
    105. Kolli M, Ozen A, Kurt-Yilmaz N, Schiffer CA. HIV-1 protease-substrate coevolution in nelfinavir resistance. J Virol. 2014 Jul; 88(13):7145-54. PMID: 24719428.
      Citations: 11     Fields:    Translation:HumansCells
    106. Hilbert BJ, Grossman SR, Schiffer CA, Royer WE. Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design. FEBS Lett. 2014 May 02; 588(9):1743-8. PMID: 24657618.
      Citations: 22     Fields:    Translation:HumansCells
    107. Foll M, Poh YP, Renzette N, Ferrer-Admetlla A, Bank C, Shim H, Malaspinas AS, Ewing G, Liu P, Wegmann D, Caffrey DR, Zeldovich KB, Bolon DN, Wang JP, Kowalik TF, Schiffer CA, Finberg RW, Jensen JD. Influenza virus drug resistance: a time-sampled population genetics perspective. PLoS Genet. 2014 Feb; 10(2):e1004185. PMID: 24586206.
      Citations: 70     Fields:    Translation:HumansCells
    108. Ozen A, Sherman W, Schiffer CA. Improving the Resistance Profile of Hepatitis C NS3/4A Inhibitors: Dynamic Substrate Envelope Guided Design. J Chem Theory Comput. 2013 Dec 10; 9(12):5693-5705. PMID: 24587770.
      Citations: 17     Fields:    
    109. Cheng N, Lee SK, Donover PS, Reichman M, Schiffer CA, Hull-Ryde EA, Swanstrom R, Janzen WP. Development of a Novel Screening Strategy Designed to Discover a New Class of HIV Drugs. J Lab Autom. 2014 Jun; 19(3):297-303. PMID: 24305957.
      Citations: 3     Fields:    Translation:HumansCells
    110. Renzette N, Caffrey DR, Zeldovich KB, Liu P, Gallagher GR, Aiello D, Porter AJ, Kurt-Jones EA, Bolon DN, Poh YP, Jensen JD, Schiffer CA, Kowalik TF, Finberg RW, Wang JP. Evolution of the influenza A virus genome during development of oseltamivir resistance in vitro. J Virol. 2014 Jan; 88(1):272-81. PMID: 24155392.
      Citations: 27     Fields:    Translation:AnimalsCells
    111. Aydin C, Mukherjee S, Hanson AM, Frick DN, Schiffer CA. The interdomain interface in bifunctional enzyme protein 3/4A (NS3/4A) regulates protease and helicase activities. Protein Sci. 2013 Dec; 22(12):1786-98. PMID: 24123290.
      Citations: 15     Fields:    Translation:Cells
    112. Shen Y, Altman MD, Ali A, Nalam MN, Cao H, Rana TM, Schiffer CA, Tidor B. Testing the substrate-envelope hypothesis with designed pairs of compounds. ACS Chem Biol. 2013 Nov 15; 8(11):2433-41. PMID: 23952265.
      Citations: 17     Fields:    Translation:HumansCells
    113. Nalam MN, Ali A, Reddy GS, Cao H, Anjum SG, Altman MD, Yilmaz NK, Tidor B, Rana TM, Schiffer CA. Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem Biol. 2013 Sep 19; 20(9):1116-24. PMID: 24012370.
      Citations: 28     Fields:    Translation:HumansCells
    114. Silver NW, King BM, Nalam MN, Cao H, Ali A, Kiran Kumar Reddy GS, Rana TM, Schiffer CA, Tidor B. Efficient Computation of Small-Molecule Configurational Binding Entropy and Free Energy Changes by Ensemble Enumeration. J Chem Theory Comput. 2013 Nov 12; 9(11):5098-5115. PMID: 24250277.
      Citations: 12     Fields:    
    115. Lee SK, Cheng N, Hull-Ryde E, Potempa M, Schiffer CA, Janzen W, Swanstrom R. A sensitive assay using a native protein substrate for screening HIV-1 maturation inhibitors targeting the protease cleavage site between the matrix and capsid. Biochemistry. 2013 Jul 23; 52(29):4929-40. PMID: 23763575.
      Citations: 3     Fields:    Translation:HumansCells
    116. Schiffer C. Interview with Celia Schiffer. Future Med Chem. 2013 Jul; 5(11):1193-7. PMID: 23859201.
      Citations:    Fields:    Translation:HumansCells
    117. Varghese V, Mitsuya Y, Fessel WJ, Liu TF, Melikian GL, Katzenstein DA, Schiffer CA, Holmes SP, Shafer RW. Prototypical Recombinant Multi-Protease-Inhibitor-Resistant Infectious Molecular Clones of Human Immunodeficiency Virus Type 1. Antimicrob Agents Chemother. 2013 Sep; 57(9):4290-4299. PMID: 23796938.
      Citations: 17     Fields:    
    118. Bohn MF, Shandilya SM, Albin JS, Kouno T, Anderson BD, McDougle RM, Carpenter MA, Rathore A, Evans L, Davis AN, Zhang J, Lu Y, Somasundaran M, Matsuo H, Harris RS, Schiffer CA. Crystal structure of the DNA cytosine deaminase APOBEC3F: the catalytically active and HIV-1 Vif-binding domain. Structure. 2013 Jun 04; 21(6):1042-50. PMID: 23685212.
      Citations: 64     Fields:    Translation:Cells
    119. Ali A, Aydin C, Gildemeister R, Romano KP, Cao H, Ozen A, Soumana D, Newton A, Petropoulos CJ, Huang W, Schiffer CA. Evaluating the role of macrocycles in the susceptibility of hepatitis C virus NS3/4A protease inhibitors to drug resistance. ACS Chem Biol. 2013 Jul 19; 8(7):1469-78. PMID: 23594083.
      Citations: 27     Fields:    Translation:HumansCells
    120. Mittal S, Bandaranayake RM, King NM, Prabu-Jeyabalan M, Nalam MN, Nalivaika EA, Yilmaz NK, Schiffer CA. Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50. J Virol. 2013 Apr; 87(8):4176-84. PMID: 23365446.
      Citations: 12     Fields:    Translation:HumansCells
    121. Foulkes-Murzycki JE, Rosi C, Kurt Yilmaz N, Shafer RW, Schiffer CA. Cooperative effects of drug-resistance mutations in the flap region of HIV-1 protease. ACS Chem Biol. 2013 Mar 15; 8(3):513-8. PMID: 23252515.
      Citations: 10     Fields:    
    122. Babrzadeh F, Varghese V, Pacold M, Liu TF, Nyr?n P, Schiffer C, Fessel WJ, Shafer RW. Collinearity of protease mutations in HIV-1 samples with high-level protease inhibitor class resistance. J Antimicrob Chemother. 2013 Feb; 68(2):414-8. PMID: 23085775.
      Citations: 9     Fields:    Translation:HumansCells
    123. Carpenter MA, Li M, Rathore A, Lackey L, Law EK, Land AM, Leonard B, Shandilya SM, Bohn MF, Schiffer CA, Brown WL, Harris RS. Methylcytosine and normal cytosine deamination by the foreign DNA restriction enzyme APOBEC3A. J Biol Chem. 2012 Oct 05; 287(41):34801-8. PMID: 22896697.
      Citations: 88     Fields:    Translation:HumansCells
    124. Mruk K, Shandilya SM, Blaustein RO, Schiffer CA, Kobertz WR. Structural insights into neuronal K+ channel-calmodulin complexes. Proc Natl Acad Sci U S A. 2012 Aug 21; 109(34):13579-83. PMID: 22869708.
      Citations: 9     Fields:    Translation:AnimalsCells
    125. Romano KP, Ali A, Aydin C, Soumana D, Ozen A, Deveau LM, Silver C, Cao H, Newton A, Petropoulos CJ, Huang W, Schiffer CA. The molecular basis of drug resistance against hepatitis C virus NS3/4A protease inhibitors. PLoS Pathog. 2012; 8(7):e1002832. PMID: 22910833.
      Citations: 81     Fields:    Translation:HumansCells
    126. Parai MK, Huggins DJ, Cao H, Nalam MN, Ali A, Schiffer CA, Tidor B, Rana TM. Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. J Med Chem. 2012 Jul 26; 55(14):6328-41. PMID: 22708897.
      Citations: 7     Fields:    Translation:Cells
    127. King NM, Prabu-Jeyabalan M, Bandaranayake RM, Nalam MN, Nalivaika EA, ?zen A, Haliloglu T, Yilmaz NK, Schiffer CA. Extreme entropy-enthalpy compensation in a drug-resistant variant of HIV-1 protease. ACS Chem Biol. 2012 Sep 21; 7(9):1536-46. PMID: 22712830.
      Citations: 29     Fields:    Translation:Cells
    128. Alvizo O, Mittal S, Mayo SL, Schiffer CA. Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease. Protein Sci. 2012 Jul; 21(7):1029-41. PMID: 22549928.
      Citations: 9     Fields:    Translation:HumansCells
    129. Stone RM, Fischer T, Paquette R, Schiller G, Schiffer CA, Ehninger G, Cortes J, Kantarjian HM, DeAngelo DJ, Huntsman-Labed A, Dutreix C, del Corral A, Giles F. Phase IB study of the FLT3 kinase inhibitor midostaurin with chemotherapy in younger newly diagnosed adult patients with acute myeloid leukemia. Leukemia. 2012 Sep; 26(9):2061-8. PMID: 22627678.
      Citations: 125     Fields:    Translation:HumansCTClinical Trials
    130. Cai Y, Yilmaz NK, Myint W, Ishima R, Schiffer CA. Differential Flap Dynamics in Wild-type and a Drug Resistant Variant of HIV-1 Protease Revealed by Molecular Dynamics and NMR Relaxation. J Chem Theory Comput. 2012 Oct 09; 8(10):3452-3462. PMID: 23144597.
      Citations: 30     Fields:    
    131. Myint W, Cai Y, Schiffer CA, Ishima R. Quantitative comparison of errors in 15N transverse relaxation rates measured using various CPMG phasing schemes. J Biomol NMR. 2012 May; 53(1):13-23. PMID: 22466935.
      Citations: 2     Fields:    Translation:Cells
    132. Mittal S, Cai Y, Nalam MN, Bolon DN, Schiffer CA. Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease. J Am Chem Soc. 2012 Mar 07; 134(9):4163-8. PMID: 22295904.
      Citations: 28     Fields:    Translation:Cells
    133. Ozen A, Haliloglu T, Schiffer CA. HIV-1 Protease and Substrate Coevolution Validates the Substrate Envelope As the Substrate Recognition Pattern. J Chem Theory Comput. 2012 Feb 14; 8(2). PMID: 24348205.
      Citations: 14     Fields:    
    134. Lee SK, Potempa M, Kolli M, ?zen A, Schiffer CA, Swanstrom R. 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. J Biol Chem. 2012 Apr 13; 287(16):13279-90. PMID: 22334652.
      Citations: 28     Fields:    Translation:Cells
    135. Li M, Shandilya SM, Carpenter MA, Rathore A, Brown WL, Perkins AL, Harki DA, Solberg J, Hook DJ, Pandey KK, Parniak MA, Johnson JR, Krogan NJ, Somasundaran M, Ali A, Schiffer CA, Harris RS. First-in-class small molecule inhibitors of the single-strand DNA cytosine deaminase APOBEC3G. ACS Chem Biol. 2012 Mar 16; 7(3):506-17. PMID: 22181350.
      Citations: 77     Fields:    Translation:HumansCells
    136. Cai Y, Schiffer C. Decomposing the energetic impact of drug-resistant mutations: the example of HIV-1 protease-DRV binding. Methods Mol Biol. 2012; 819:551-60. PMID: 22183557.
      Citations: 4     Fields:    Translation:HumansCells
    137. Auclair JR, Somasundaran M, Green KM, Evans JE, Schiffer CA, Ringe D, Petsko GA, Agar JN. Mass spectrometry tools for analysis of intermolecular interactions. Methods Mol Biol. 2012; 896:387-98. PMID: 22821539.
      Citations: 1     Fields:    Translation:Cells
    138. Dierynck I, Van Marck H, Van Ginderen M, Jonckers TH, Nalam MN, Schiffer CA, Raoof A, Kraus G, Picchio G. 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. Antimicrob Agents Chemother. 2011 Dec; 55(12):5723-31. PMID: 21896904.
      Citations: 17     Fields:    Translation:HumansCells
    139. Ozen A, Haliloglu T, Schiffer CA. Dynamics of preferential substrate recognition in HIV-1 protease: redefining the substrate envelope. J Mol Biol. 2011 Jul 22; 410(4):726-44. PMID: 21762811.
      Citations: 42     Fields:    Translation:HumansCells
    140. Anderson AC, Pollastri MP, Schiffer CA, Peet NP. The challenge of developing robust drugs to overcome resistance. Drug Discov Today. 2011 Sep; 16(17-18):755-61. PMID: 21784168.
      Citations: 8     Fields:    Translation:Humans
    141. Romano KP, Laine JM, Deveau LM, Cao H, Massi F, Schiffer CA. Molecular mechanisms of viral and host cell substrate recognition by hepatitis C virus NS3/4A protease. J Virol. 2011 Jul; 85(13):6106-16. PMID: 21507982.
      Citations: 22     Fields:    Translation:HumansCells
    142. Parry CM, Kolli M, Myers RE, Cane PA, Schiffer C, Pillay D. Three residues in HIV-1 matrix contribute to protease inhibitor susceptibility and replication capacity. Antimicrob Agents Chemother. 2011 Mar; 55(3):1106-13. PMID: 21149628.
      Citations: 26     Fields:    Translation:HumansCells
    143. Romano KP, Ali A, Royer WE, Schiffer CA. Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding. Proc Natl Acad Sci U S A. 2010 Dec 07; 107(49):20986-91. PMID: 21084633.
      Citations: 89     Fields:    Translation:HumansCells
    144. Ali A, Bandaranayake RM, Cai Y, King NM, Kolli M, Mittal S, Murzycki JF, Nalam MNL, Nalivaika EA, ?zen A, Prabu-Jeyabalan MM, Thayer K, Schiffer CA. Molecular Basis for Drug Resistance in HIV-1 Protease. Viruses. 2010 Nov; 2(11):2509-2535. PMID: 21994628.
      Citations: 58     Fields:    
    145. Ali A, Reddy GS, Nalam MN, Anjum SG, Cao H, Schiffer CA, Rana TM. Structure-based design, synthesis, and structure-activity relationship studies of HIV-1 protease inhibitors incorporating phenyloxazolidinones. J Med Chem. 2010 Nov 11; 53(21):7699-708. PMID: 20958050.
      Citations: 17     Fields:    Translation:HumansCells
    146. Straza MW, Paliwal S, Kovi RC, Rajeshkumar B, Trenh P, Parker D, Whalen GF, Lyle S, Schiffer CA, Grossman SR. Therapeutic targeting of C-terminal binding protein in human cancer. Cell Cycle. 2010 Sep 15; 9(18):3740-50. PMID: 20930544.
      Citations: 42     Fields:    Translation:HumansAnimalsCells
    147. Ozer N, Schiffer CA, Haliloglu T. Rationale for more diverse inhibitors in competition with substrates in HIV-1 protease. Biophys J. 2010 Sep 08; 99(5):1650-9. PMID: 20816079.
      Citations: 6     Fields:    Translation:Cells
    148. Bandaranayake RM, Kolli M, King NM, Nalivaika EA, Heroux A, Kakizawa J, Sugiura W, Schiffer CA. The effect of clade-specific sequence polymorphisms on HIV-1 protease activity and inhibitor resistance pathways. J Virol. 2010 Oct; 84(19):9995-10003. PMID: 20660190.
      Citations: 19     Fields:    Translation:HumansCells
    149. Cai Y, Schiffer CA. Decomposing the energetic impact of drug resistant mutations in HIV-1 protease on binding DRV. J Chem Theory Comput. 2010 Apr 13; 6(4):1358-1368. PMID: 20543885.
      Citations: 25     Fields:    
    150. Nalam MN, Ali A, Altman MD, Reddy GS, Chellappan S, Kairys V, Ozen A, Cao H, Gilson MK, Tidor B, Rana TM, Schiffer CA. Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance. J Virol. 2010 May; 84(10):5368-78. PMID: 20237088.
      Citations: 61     Fields:    Translation:HumansCells
    151. 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. Crystal structure of the APOBEC3G catalytic domain reveals potential oligomerization interfaces. Structure. 2010 Jan 13; 18(1):28-38. PMID: 20152150.
      Citations: 94     Fields:    Translation:HumansCells
    152. Kairys V, Gilson MK, Lather V, Schiffer CA, Fernandes MX. Toward the design of mutation-resistant enzyme inhibitors: further evaluation of the substrate envelope hypothesis. Chem Biol Drug Des. 2009 Sep; 74(3):234-45. PMID: 19703025.
      Citations: 10     Fields:    Translation:HumansCells
    153. Kolli M, Stawiski E, Chappey C, Schiffer CA. Human immunodeficiency virus type 1 protease-correlated cleavage site mutations enhance inhibitor resistance. J Virol. 2009 Nov; 83(21):11027-42. PMID: 19706699.
      Citations: 31     Fields:    Translation:HumansCells
    154. Jorissen RN, Reddy GS, Ali A, Altman MD, Chellappan S, Anjum SG, Tidor B, Schiffer CA, Rana TM, Gilson MK. Additivity in the analysis and design of HIV protease inhibitors. J Med Chem. 2009 Feb 12; 52(3):737-54. PMID: 19193159.
      Citations: 9     Fields:    Translation:Cells
    155. Anderson J, Schiffer C, Lee SK, Swanstrom R. Viral protease inhibitors. Handb Exp Pharmacol. 2009; (189):85-110. PMID: 19048198.
      Citations: 55     Fields:    Translation:HumansAnimalsCells
    156. Nalam MN, Schiffer CA. New approaches to HIV protease inhibitor drug design II: testing the substrate envelope hypothesis to avoid drug resistance and discover robust inhibitors. Curr Opin HIV AIDS. 2008 Nov; 3(6):642-6. PMID: 19373036.
      Citations: 23     Fields:    
    157. Chen W, Lam SS, Srinath H, Jiang Z, Correia JJ, Schiffer CA, Fitzgerald KA, Lin K, Royer WE. Insights into interferon regulatory factor activation from the crystal structure of dimeric IRF5. Nat Struct Mol Biol. 2008 Nov; 15(11):1213-20. PMID: 18836453.
      Citations: 66     Fields:    Translation:HumansCells
    158. Lefebvre E, Schiffer CA. Resilience to resistance of HIV-1 protease inhibitors: profile of darunavir. AIDS Rev. 2008 Jul-Sep; 10(3):131-42. PMID: 18820715.
      Citations: 49     Fields:    Translation:HumansCells
    159. Bandaranayake RM, Prabu-Jeyabalan M, Kakizawa J, Sugiura W, Schiffer CA. Structural analysis of human immunodeficiency virus type 1 CRF01_AE protease in complex with the substrate p1-p6. J Virol. 2008 Jul; 82(13):6762-6. PMID: 18434392.
      Citations: 9     Fields:    Translation:Cells
    160. Altman MD, Ali A, Reddy GS, Nalam MN, Anjum SG, Cao H, Chellappan S, Kairys V, Fernandes MX, Gilson MK, Schiffer CA, Rana TM, Tidor B. HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants. J Am Chem Soc. 2008 May 14; 130(19):6099-113. PMID: 18412349.
      Citations: 45     Fields:    Translation:Cells
    161. Chen W, Srinath H, Lam SS, Schiffer CA, Royer WE, Lin K. Contribution of Ser386 and Ser396 to activation of interferon regulatory factor 3. J Mol Biol. 2008 May 30; 379(2):251-60. PMID: 18440553.
      Citations: 40     Fields:    Translation:HumansCells
    162. Altman MD, Nalivaika EA, Prabu-Jeyabalan M, Schiffer CA, Tidor B. Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease. Proteins. 2008 Feb 15; 70(3):678-94. PMID: 17729291.
      Citations: 22     Fields:    Translation:Cells
    163. Auclair JR, Green KM, Shandilya S, Evans JE, Somasundaran M, Schiffer CA. Mass spectrometry analysis of HIV-1 Vif reveals an increase in ordered structure upon oligomerization in regions necessary for viral infectivity. Proteins. 2007 Nov 01; 69(2):270-84. PMID: 17598142.
      Citations: 28     Fields:    Translation:HumansCells
    164. Reddy GS, Ali A, Nalam MN, Anjum SG, Cao H, Nathans RS, Schiffer CA, Rana TM. Design and synthesis of HIV-1 protease inhibitors incorporating oxazolidinones as P2/P2' ligands in pseudosymmetric dipeptide isosteres. J Med Chem. 2007 Sep 06; 50(18):4316-28. PMID: 17696512.
      Citations: 16     Fields:    Translation:HumansCells
    165. Chellappan S, Kairys V, Fernandes MX, Schiffer C, Gilson MK. Evaluation of the substrate envelope hypothesis for inhibitors of HIV-1 protease. Proteins. 2007 Aug 01; 68(2):561-7. PMID: 17474129.
      Citations: 24     Fields:    Translation:Cells
    166. Nalam MN, Peeters A, Jonckers TH, Dierynck I, Schiffer CA. Crystal structure of lysine sulfonamide inhibitor reveals the displacement of the conserved flap water molecule in human immunodeficiency virus type 1 protease. J Virol. 2007 Sep; 81(17):9512-8. PMID: 17596316.
      Citations: 13     Fields:    Translation:Cells
    167. Chellappan S, Kiran Kumar Reddy GS, Ali A, Nalam MN, Anjum SG, Cao H, Kairys V, Fernandes MX, Altman MD, Tidor B, Rana TM, Schiffer CA, Gilson MK. Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesis. Chem Biol Drug Des. 2007 May; 69(5):298-313. PMID: 17539822.
      Citations: 25     Fields:    
    168. Chen W, Lam SS, Srinath H, Schiffer CA, Royer WE, Lin K. Competition between Ski and CREB-binding protein for binding to Smad proteins in transforming growth factor-beta signaling. J Biol Chem. 2007 Apr 13; 282(15):11365-76. PMID: 17283070.
      Citations: 20     Fields:    Translation:HumansCells
    169. Foulkes-Murzycki JE, Scott WR, Schiffer CA. Hydrophobic sliding: a possible mechanism for drug resistance in human immunodeficiency virus type 1 protease. Structure. 2007 Feb; 15(2):225-33. PMID: 17292840.
      Citations: 40     Fields:    Translation:Cells
    170. Ali A, Reddy GS, Cao H, Anjum SG, Nalam MN, Schiffer CA, Rana TM. Discovery of HIV-1 protease inhibitors with picomolar affinities incorporating N-aryl-oxazolidinone-5-carboxamides as novel P2 ligands. J Med Chem. 2006 Dec 14; 49(25):7342-56. PMID: 17149864.
      Citations: 28     Fields:    Translation:Cells
    171. Mitsuya Y, Winters MA, Fessel WJ, Rhee SY, Hurley L, Horberg M, Schiffer CA, Zolopa AR, Shafer RW. N88D facilitates the co-occurrence of D30N and L90M and the development of multidrug resistance in HIV type 1 protease following nelfinavir treatment failure. AIDS Res Hum Retroviruses. 2006 Dec; 22(12):1300-5. PMID: 17209774.
      Citations: 9     Fields:    Translation:HumansCells
    172. Forget AL, Kudron MM, McGrew DA, Calmann MA, Schiffer CA, Knight KL. RecA dimers serve as a functional unit for assembly of active nucleoprotein filaments. Biochemistry. 2006 Nov 14; 45(45):13537-42. PMID: 17087507.
      Citations: 5     Fields:    Translation:Cells
    173. Ozer N, Haliloglu T, Schiffer CA. Substrate specificity in HIV-1 protease by a biased sequence search method. Proteins. 2006 Aug 01; 64(2):444-56. PMID: 16741993.
      Citations: 3     Fields:    Translation:Cells
    174. Foulkes JE, Prabu-Jeyabalan M, Cooper D, Henderson GJ, Harris J, Swanstrom R, Schiffer CA. Role of invariant Thr80 in human immunodeficiency virus type 1 protease structure, function, and viral infectivity. J Virol. 2006 Jul; 80(14):6906-16. PMID: 16809296.
      Citations: 21     Fields:    Translation:Cells
    175. Prabu-Jeyabalan M, Nalivaika EA, Romano K, Schiffer CA. Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate. J Virol. 2006 Apr; 80(7):3607-16. PMID: 16537628.
      Citations: 27     Fields:    Translation:HumansCells
    176. Prabu-Jeyabalan M, King NM, Nalivaika EA, Heilek-Snyder G, Cammack N, Schiffer CA. Substrate envelope and drug resistance: crystal structure of RO1 in complex with wild-type human immunodeficiency virus type 1 protease. Antimicrob Agents Chemother. 2006 Apr; 50(4):1518-21. PMID: 16569872.
      Citations: 19     Fields:    Translation:Cells
    177. Kolli M, Lastere S, Schiffer CA. Co-evolution of nelfinavir-resistant HIV-1 protease and the p1-p6 substrate. Virology. 2006 Apr 10; 347(2):405-9. PMID: 16430939.
      Citations: 30     Fields:    Translation:HumansCells
    178. Liu F, Wagner S, Campbell RB, Nickerson JA, Schiffer CA, Ross AH. PTEN enters the nucleus by diffusion. J Cell Biochem. 2005 Oct 01; 96(2):221-34. PMID: 16088943.
      Citations: 52     Fields:    Translation:HumansCells
    179. Afkar E, Reguera G, Schiffer M, Lovley DR. A novel Geobacteraceae-specific outer membrane protein J (OmpJ) is essential for electron transport to Fe(III) and Mn(IV) oxides in Geobacter sulfurreducens. BMC Microbiol. 2005 Jul 06; 5:41. PMID: 16000176.
      Citations: 16     Fields:    Translation:Cells
    180. Surleraux DL, de Kock HA, Verschueren WG, Pille GM, Maes LJ, Peeters A, Vendeville S, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB. Design of HIV-1 protease inhibitors active on multidrug-resistant virus. J Med Chem. 2005 Mar 24; 48(6):1965-73. PMID: 15771440.
      Citations: 27     Fields:    Translation:HumansAnimalsCells
    181. Surleraux DL, Tahri A, Verschueren WG, Pille GM, de Kock HA, Jonckers TH, Peeters A, De Meyer S, Azijn H, Pauwels R, de Bethune MP, King NM, Prabu-Jeyabalan M, Schiffer CA, Wigerinck PB. Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor. J Med Chem. 2005 Mar 24; 48(6):1813-22. PMID: 15771427.
      Citations: 99     Fields:    Translation:HumansAnimalsCells
    182. Johnston E, Winters MA, Rhee SY, Merigan TC, Schiffer CA, Shafer RW. Association of a novel human immunodeficiency virus type 1 protease substrate cleft mutation, L23I, with protease inhibitor therapy and in vitro drug resistance. Antimicrob Agents Chemother. 2004 Dec; 48(12):4864-8. PMID: 15561868.
      Citations: 6     Fields:    Translation:HumansCells
    183. King NM, Prabu-Jeyabalan M, Nalivaika EA, Wigerinck P, de B?thune MP, Schiffer CA. Structural and thermodynamic basis for the binding of TMC114, a next-generation human immunodeficiency virus type 1 protease inhibitor. J Virol. 2004 Nov; 78(21):12012-21. PMID: 15479840.
      Citations: 103     Fields:    Translation:HumansCells
    184. Prabu-Jeyabalan M, Nalivaika EA, King NM, Schiffer CA. Structural basis for coevolution of a human immunodeficiency virus type 1 nucleocapsid-p1 cleavage site with a V82A drug-resistant mutation in viral protease. J Virol. 2004 Nov; 78(22):12446-54. PMID: 15507631.
      Citations: 58     Fields:    Translation:Cells
    185. King NM, Prabu-Jeyabalan M, Nalivaika EA, Schiffer CA. Combating susceptibility to drug resistance: lessons from HIV-1 protease. Chem Biol. 2004 Oct; 11(10):1333-8. PMID: 15489160.
      Citations: 85     Fields:    Translation:Cells
    186. Hoffman NG, Schiffer CA, Swanstrom R. Covariation of amino acid positions in HIV-1 protease. Virology. 2003 Sep 30; 314(2):536-48. PMID: 14554082.
      Citations: 48     Fields:    Translation:HumansCells
    187. Kurt N, Haliloglu T, Schiffer CA. Structure-based prediction of potential binding and nonbinding peptides to HIV-1 protease. Biophys J. 2003 Aug; 85(2):853-63. PMID: 12885633.
      Citations: 4     Fields:    Translation:Cells
    188. Kurt N, Scott WR, Schiffer CA, Haliloglu T. Cooperative fluctuations of unliganded and substrate-bound HIV-1 protease: a structure-based analysis on a variety of conformations from crystallography and molecular dynamics simulations. Proteins. 2003 May 15; 51(3):409-22. PMID: 12696052.
      Citations: 21     Fields:    Translation:Cells
    189. Wu TD, Schiffer CA, Gonzales MJ, Taylor J, Kantor R, Chou S, Israelski D, Zolopa AR, Fessel WJ, Shafer RW. Mutation patterns and structural correlates in human immunodeficiency virus type 1 protease following different protease inhibitor treatments. J Virol. 2003 Apr; 77(8):4836-47. PMID: 12663790.
      Citations: 107     Fields:    Translation:HumansCells
    190. Prabu-Jeyabalan M, Nalivaika EA, King NM, Schiffer CA. Viability of a drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy. J Virol. 2003 Jan; 77(2):1306-15. PMID: 12502847.
      Citations: 41     Fields:    Translation:Cells
    191. Schiffer C, Hermans J. Promise of advances in simulation methods for protein crystallography: implicit solvent models, time-averaging refinement, and quantum mechanical modeling. Methods Enzymol. 2003; 374:412-61. PMID: 14696384.
      Citations: 8     Fields:    Translation:Cells
    192. Schonhoff CM, Daou MC, Jones SN, Schiffer CA, Ross AH. Nitric oxide-mediated inhibition of Hdm2-p53 binding. Biochemistry. 2002 Nov 19; 41(46):13570-4. PMID: 12427017.
      Citations: 22     Fields:    Translation:HumansCells
    193. Pettit SC, Henderson GJ, Schiffer CA, Swanstrom R. Replacement of the P1 amino acid of human immunodeficiency virus type 1 Gag processing sites can inhibit or enhance the rate of cleavage by the viral protease. J Virol. 2002 Oct; 76(20):10226-33. PMID: 12239298.
      Citations: 66     Fields:    Translation:HumansCells
    194. Liu H, Radhakrishnan P, Magoun L, Prabu M, Campellone KG, Savage P, He F, Schiffer CA, Leong JM. Point mutants of EHEC intimin that diminish Tir recognition and actin pedestal formation highlight a putative Tir binding pocket. Mol Microbiol. 2002 Sep; 45(6):1557-73. PMID: 12354225.
      Citations: 13     Fields:    Translation:HumansCells
    195. Prabu-Jeyabalan M, Nalivaika E, Schiffer CA. Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes. Structure. 2002 Mar; 10(3):369-81. PMID: 12005435.
      Citations: 138     Fields:    Translation:HumansCells
    196. Schiffer C, Ultsch M, Walsh S, Somers W, de Vos AM, Kossiakoff A. Structure of a phage display-derived variant of human growth hormone complexed to two copies of the extracellular domain of its receptor: evidence for strong structural coupling between receptor binding sites. J Mol Biol. 2002 Feb 15; 316(2):277-89. PMID: 11851338.
      Citations: 7     Fields:    Translation:HumansCells
    197. King NM, Melnick L, Prabu-Jeyabalan M, Nalivaika EA, Yang SS, Gao Y, Nie X, Zepp C, Heefner DL, Schiffer CA. Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease. Protein Sci. 2002 Feb; 11(2):418-29. PMID: 11790852.
      Citations: 47     Fields:    Translation:HumansCells
    198. Cheson BD, Bennett JM, Kantarjian H, Schiffer CA, Nimer SD, L?wenberg B, Stone RM, Mittelman M, Sanz GF, Wijermans PW, Greenberg PL. Myelodysplastic syndromes standardized response criteria: further definition. Blood. 2001 Sep 15; 98(6):1985. PMID: 11535540.
    199. Stone RM, Berg DT, George SL, Dodge RK, Paciucci PA, Schulman PP, Lee EJ, Moore JO, Powell BL, Baer MR, Bloomfield CD, Schiffer CA. Postremission therapy in older patients with de novo acute myeloid leukemia: a randomized trial comparing mitoxantrone and intermediate-dose cytarabine with standard-dose cytarabine. Blood. 2001 Aug 01; 98(3):548-53. PMID: 11468148.
      Citations: 53     Fields:    Translation:HumansCTClinical Trials
    200. Bakri Y, Schiffer C, Zennou V, Charneau P, Kahn E, Benjouad A, Gluckman JC, Canque B. The maturation of dendritic cells results in postintegration inhibition of HIV-1 replication. J Immunol. 2001 Mar 15; 166(6):3780-8. PMID: 11238620.
      Citations: 44     Fields:    Translation:HumansCells
    201. Scott WR, Schiffer CA. Curling of flap tips in HIV-1 protease as a mechanism for substrate entry and tolerance of drug resistance. Structure. 2000 Dec 15; 8(12):1259-65. PMID: 11188690.
      Citations: 75     Fields:    Translation:HumansCells
    202. Cheson BD, Bennett JM, Kantarjian H, Pinto A, Schiffer CA, Nimer SD, L?wenberg B, Beran M, de Witte TM, Stone RM, Mittelman M, Sanz GF, Wijermans PW, Gore S, Greenberg PL. Report of an international working group to standardize response criteria for myelodysplastic syndromes. Blood. 2000 Dec 01; 96(12):3671-4. PMID: 11090046.
      Citations: 197     Fields:    Translation:Humans
    203. Prabu-Jeyabalan M, Nalivaika E, Schiffer CA. How does a symmetric dimer recognize an asymmetric substrate? A substrate complex of HIV-1 protease. J Mol Biol. 2000 Sep 01; 301(5):1207-20. PMID: 10966816.
      Citations: 72     Fields:    Translation:Cells
    204. Hensley ML, Peterson B, Silver RT, Larson RA, Schiffer CA, Szatrowski TP. Risk factors for severe neuropsychiatric toxicity in patients receiving interferon alfa-2b and low-dose cytarabine for chronic myelogenous leukemia: analysis of Cancer and Leukemia Group B 9013. J Clin Oncol. 2000 Mar; 18(6):1301-8. PMID: 10715301.
      Citations: 6     Fields:    Translation:Humans
    205. Schiffer CA, van Gunsteren WF. Accessibility and order of water sites in and around proteins: A crystallographic time-averaging study. Proteins. 1999 Sep 01; 36(4):501-11. PMID: 10450092.
      Citations: 9     Fields:    Translation:Cells
    206. Kornblith AB, Herndon JE, Zuckerman E, Cella DF, Cherin E, Wolchok S, Weiss RB, Diehl LF, Henderson E, Cooper MR, Schiffer C, Canellos GP, Mayer RJ, Silver RT, Schilling A, Peterson BA, Greenberg D, Holland JC. Comparison of psychosocial adaptation of advanced stage Hodgkin's disease and acute leukemia survivors. Cancer and Leukemia Group B. Ann Oncol. 1998 Mar; 9(3):297-306. PMID: 9602264.
      Citations: 24     Fields:    Translation:HumansCTClinical Trials
    207. Peng JW, Schiffer CA, Xu P, van Gunsteren WF, Ernst RR. Investigations of peptide hydration using NMR and molecular dynamics simulations: A study of effects of water on the conformation and dynamics of antamanide. J Biomol NMR. 1996 Dec; 8(4):453-76. PMID: 20859779.
      Citations: 1     Fields:    
    208. Schiffer CA, van Gunsteren WF. Structural stability of disulfide mutants of basic pancreatic trypsin inhibitor: a molecular dynamics study. Proteins. 1996 Sep; 26(1):66-71. PMID: 8880930.
      Citations: 4     Fields:    Translation:Cells
    209. Schiffer CA, D?tsch V. The role of protein-solvent interactions in protein unfolding. Curr Opin Biotechnol. 1996 Aug; 7(4):428-32. PMID: 8768902.
      Citations: 15     Fields:    Translation:Cells
    210. Schiffer CA, Clifton IJ, Davisson VJ, Santi DV, Stroud RM. Crystal structure of human thymidylate synthase: a structural mechanism for guiding substrates into the active site. Biochemistry. 1995 Dec 19; 34(50):16279-87. PMID: 8845352.
      Citations: 38     Fields:    Translation:HumansCells
    211. Schiffer CA, D?tsch V, W?thrich K, van Gunsteren WF. Exploring the role of the solvent in the denaturation of a protein: a molecular dynamics study of the DNA binding domain of the 434 repressor. Biochemistry. 1995 Nov 21; 34(46):15057-67. PMID: 7578118.
      Citations: 2     Fields:    Translation:Cells
    212. Stone RM, Berg DT, George SL, Dodge RK, Paciucci PA, Schulman P, Lee EJ, Moore JO, Powell BL, Schiffer CA. Granulocyte-macrophage colony-stimulating factor after initial chemotherapy for elderly patients with primary acute myelogenous leukemia. Cancer and Leukemia Group B. N Engl J Med. 1995 Jun 22; 332(25):1671-7. PMID: 7760868.
      Citations: 81     Fields:    Translation:HumansCTClinical Trials
    213. Van Gunsteren WF, H?nenberger PH, Kovacs H, Mark AE, Schiffer CA. Investigation of protein unfolding and stability by computer simulation. Philos Trans R Soc Lond B Biol Sci. 1995 Apr 29; 348(1323):49-59. PMID: 7770486.
      Citations: 4     Fields:    Translation:AnimalsCells
    214. Schiffer CA, Gros P, van Gunsteren WF. Time-averaging crystallographic refinement: possibilities and limitations using alpha-cyclodextrin as a test system. Acta Crystallogr D Biol Crystallogr. 1995 Jan 01; 51(Pt 1):85-92. PMID: 15299339.
      Citations: 9     Fields:    
    215. Mayer RJ, Davis RB, Schiffer CA, Berg DT, Powell BL, Schulman P, Omura GA, Moore JO, McIntyre OR, Frei E. Intensive postremission chemotherapy in adults with acute myeloid leukemia. Cancer and Leukemia Group B. N Engl J Med. 1994 Oct 06; 331(14):896-903. PMID: 8078551.
      Citations: 262     Fields:    Translation:HumansCTClinical Trials
    216. Schiffer CA, Huber R, W?thrich K, van Gunsteren WF. Simultaneous refinement of the structure of BPTI against NMR data measured in solution and X-ray diffraction data measured in single crystals. J Mol Biol. 1994 Aug 26; 241(4):588-99. PMID: 7520085.
      Citations: 10     Fields:    Translation:Cells
    217. Greene PJ, Yu PL, Zhao J, Schiffer CA, Santi D. Expression, purification, and characterization of thymidylate synthase from Lactococcus lactis. Protein Sci. 1994 Jul; 3(7):1114-6. PMID: 7920258.
      Citations: 1     Fields:    Translation:Cells
    218. Neubauer A, Dodge RK, George SL, Davey FR, Silver RT, Schiffer CA, Mayer RJ, Ball ED, Wurster-Hill D, Bloomfield CD, et al. Prognostic importance of mutations in the ras proto-oncogenes in de novo acute myeloid leukemia. Blood. 1994 Mar 15; 83(6):1603-11. PMID: 8123851.
      Citations: 30     Fields:    Translation:Humans
    219. van Gunsteren WF, Brunne RM, Gros P, van Schaik RC, Schiffer CA, Torda AE. Accounting for molecular mobility in structure determination based on nuclear magnetic resonance spectroscopic and X-ray diffraction data. Methods Enzymol. 1994; 239:619-54. PMID: 7530320.
      Citations: 8     Fields:    Translation:AnimalsCells
    220. Sandler DP, Shore DL, Anderson JR, Davey FR, Arthur D, Mayer RJ, Silver RT, Weiss RB, Moore JO, Schiffer CA, et al. Cigarette smoking and risk of acute leukemia: associations with morphology and cytogenetic abnormalities in bone marrow. J Natl Cancer Inst. 1993 Dec 15; 85(24):1994-2003. PMID: 8246285.
      Citations: 20     Fields:    Translation:Humans
    221. Ozer H, George SL, Schiffer CA, Rao K, Rao PN, Wurster-Hill DH, Arthur DD, Powell B, Gottlieb A, Peterson BA, Rai K, Testa JR, LeBeau M, Tantravahi R, Bloomfield CD. Prolonged subcutaneous administration of recombinant alpha 2b interferon in patients with previously untreated Philadelphia chromosome-positive chronic-phase chronic myelogenous leukemia: effect on remission duration and survival: Cancer and Leukemia Group B study 8583. Blood. 1993 Nov 15; 82(10):2975-84. PMID: 8219189.
      Citations: 9     Fields:    Translation:HumansCTClinical Trials
    222. Lee EJ, Reck K, Carter C, Hodges S, Schiffer CA. A phase I trial of carboplatin and etoposide given as continuous infusions to adults with leukemia. Leukemia. 1993 Oct; 7(10):1500-3. PMID: 8412310.
      Citations:    Fields:    Translation:HumansCTClinical Trials
    223. Rubin EH, Andersen JW, Berg DT, Schiffer CA, Mayer RJ, Stone RM. Risk factors for high-dose cytarabine neurotoxicity: an analysis of a cancer and leukemia group B trial in patients with acute myeloid leukemia. J Clin Oncol. 1992 Jun; 10(6):948-53. PMID: 1588374.
      Citations: 13     Fields:    Translation:HumansCTClinical Trials
    224. Schiffer CA, Caldwell JW, Stroud RM, Kollman PA. Inclusion of solvation free energy with molecular mechanics energy: alanyl dipeptide as a test case. Protein Sci. 1992 Mar; 1(3):396-400. PMID: 1304346.
      Citations: 7     Fields:    Translation:Cells
    225. Dillman RO, Davis RB, Green MR, Weiss RB, Gottlieb AJ, Caplan S, Kopel S, Preisler H, McIntyre OR, Schiffer C. A comparative study of two different doses of cytarabine for acute myeloid leukemia: a phase III trial of Cancer and Leukemia Group B. Blood. 1991 Nov 15; 78(10):2520-6. PMID: 1824249.
      Citations: 28     Fields:    Translation:HumansCTClinical Trials
    226. Schiffer CA, Davisson VJ, Santi DV, Stroud RM. Crystallization of human thymidylate synthase. J Mol Biol. 1991 May 20; 219(2):161-3. PMID: 2038053.
      Citations: 1     Fields:    Translation:HumansCells
    227. Cheson BD, Cassileth PA, Head DR, Schiffer CA, Bennett JM, Bloomfield CD, Brunning R, Gale RP, Grever MR, Keating MJ, et al. Report of the National Cancer Institute-sponsored workshop on definitions of diagnosis and response in acute myeloid leukemia. J Clin Oncol. 1990 May; 8(5):813-9. PMID: 2185339.
      Citations: 114     Fields:    Translation:Humans
    228. Schiffer CA, Caldwell JW, Kollman PA, Stroud RM. Prediction of homologous protein structures based on conformational searches and energetics. Proteins. 1990; 8(1):30-43. PMID: 2217162.
      Citations: 1     Fields:    Translation:AnimalsCells
    229. Cheson BD, Bennett JM, Rai KR, Grever MR, Kay NE, Oken MM, Schiffer CA, Keating MJ, Boldt DH, Kempin SJ, et al. Chronic lymphocytic leukemia: recommendations. Ann Intern Med. 1989 Apr 15; 110(8):664-5. PMID: 2930097.
      Citations:    Fields:    Translation:Humans
    230. Cheson BD, Bennett JM, Rai KR, Grever MR, Kay NE, Schiffer CA, Oken MM, Keating MJ, Boldt DH, Kempin SJ, et al. Guidelines for clinical protocols for chronic lymphocytic leukemia: recommendations of the National Cancer Institute-sponsored working group. Am J Hematol. 1988 Nov; 29(3):152-63. PMID: 3189311.
      Citations: 46     Fields:    Translation:Humans
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