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Celia A Schiffer PhD

TitleProfessor
InstitutionUniversity of Massachusetts Medical School
DepartmentBiochemistry and Molecular Pharmacology
AddressUniversity of Massachusetts Medical School
364 Plantation Street, LRB
Worcester MA 01605
Phone508-856-8008
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    Other Positions
    InstitutionUMMS - School of Medicine
    DepartmentBiochemistry and Molecular Pharmacology

    InstitutionUMMS - Graduate School of Biomedical Sciences
    DepartmentBiochemistry and Molecular Pharmacology

    InstitutionUMMS - Graduate School of Biomedical Sciences
    DepartmentBioinformatics and Computational Biology

    InstitutionUMMS - Graduate School of Biomedical Sciences
    DepartmentInterdisciplinary Graduate Program

    InstitutionUMMS - Graduate School of Biomedical Sciences
    DepartmentMD/PhD Program

    InstitutionUMMS - Graduate School of Biomedical Sciences
    DepartmentTranslational Science

    InstitutionUMMS - Programs, Centers and Institutes
    DepartmentBioinformatics and Integrative Biology

    InstitutionUMMS - Programs, Centers and Institutes
    DepartmentChemical Biology


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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

    www.umassmed.edu/schifferlab

    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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    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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    1. 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 Jul 27. PMID: 32719542.
      View in: PubMed
    2. 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 Pseudo-Symmetric Dipeptide Isostere. J Med Chem. 2020 Jul 16. PMID: 32672965.
      View in: PubMed
    3. 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.
      View in: PubMed
    4. 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 Mar 31; 11(2). PMID: 32234812.
      View in: PubMed
    5. 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.
      View in: PubMed
    6. 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. 2019 Dec 26. PMID: 31877249.
      View in: PubMed
    7. 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. 2019 Dec 23. PMID: 31868341.
      View in: PubMed
    8. 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 Aug 22; 47(14):7676-7689. PMID: 31424549.
      View in: PubMed
    9. Rusere LN, Lockbaum GJ, Lee SK, Henes M, Kosovrasti K, Spielvogel E, Nalivaika EA, Swanstrom R, Kurt Yilmaz N, 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 Aug 06. PMID: 31386368.
      View in: PubMed
    10. 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 Aug 06. PMID: 31386353.
      View in: PubMed
    11. Leidner F, Kurt Yilmaz N, Schiffer CA. Target-Specific Prediction of Ligand Affinity with Structure-Based Interaction Fingerprints. J Chem Inf Model. 2019 Aug 05. PMID: 31381335.
      View in: PubMed
    12. 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. pM to µM - Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. ACS Chem Biol. 2019 Jul 30. PMID: 31361460.
      View in: PubMed
    13. Silvas TV, Schiffer CA. APOBEC3s: DNA-Editing Human Cytidine Deaminases. Protein Sci. 2019 Jun 26. PMID: 31241202.
      View in: PubMed
    14. 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 Jun 26. PMID: 31243634.
      View in: PubMed
    15. 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 Apr 16. PMID: 30990653.
      View in: PubMed
    16. Özen 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 Mar 01; 1-16. PMID: 30821513.
      View in: PubMed
    17. 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 Feb 04. PMID: 30721995.
      View in: PubMed
    18. Lockbaum GJ, Leidner F, Rusere LN, Henes M, Kosovrasti K, Nachum GS, Nalivaika EA, Ali A, Kurt Yilmaz N, Schiffer CA. Structural Adaptation of Darunavir Analogs Against Primary Mutations in HIV-1 Protease. ACS Infect Dis. 2018 Dec 13. PMID: 30543749.
      View in: PubMed
    19. Hou S, Silvas T, 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. 2018 Nov 20. PMID: 30457868.
      View in: PubMed
    20. 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 Nov 07. PMID: 30414407.
      View in: PubMed
    21. 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. 2018 Oct 31. PMID: 30381484.
      View in: PubMed
    22. 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 Oct 23; 11(553). PMID: 30352947.
      View in: PubMed
    23. 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 Aug 07. PMID: 30146168.
      View in: PubMed
    24. Moise L, Girard B, Boyle C, Kurt Yilmaz N, Jang H, Schiffer C, 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 Jul 17. PMID: 30015562.
      View in: PubMed
    25. 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.
      View in: PubMed
    26. 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.
      View in: PubMed
    27. 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 May 14; 8(1):7511. PMID: 29760455.
      View in: PubMed
    28. Bellesis AG, Jecrois AM, Hayes JA, Schiffer CA, Royer WE. Assembly of human C-terminal binding protein (CtBP) into tetramers. J Biol Chem. 2018 Jun 08; 293(23):9101-9112. PMID: 29700119.
      View in: PubMed
    29. 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.
      View in: PubMed
    30. 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.
      View in: PubMed
    31. 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 Feb 18. PMID: 29466705.
      View in: PubMed
    32. 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.
      View in: PubMed
    33. 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.
      View in: PubMed
    34. 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 Oct 31; 114(44):11751-11756. PMID: 29078326.
      View in: PubMed
    35. 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 Oct 09. PMID: 28915040.
      View in: PubMed
    36. 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-1ß and TNFa. Sci Immunol. 2017 Jun 09; 2(12). PMID: 28783661.
      View in: PubMed
    37. 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 Jun 08. PMID: 28594175.
      View in: PubMed
    38. 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 Apr 28; 8:15024. PMID: 28452355.
      View in: PubMed
    39. Paulsen JL, Leidner F, Ragland DA, Kurt Yilmaz N, Schiffer CA. Interdependence of Inhibitor Recognition in HIV-1 Protease. J Chem Theory Comput. 2017 Mar 30. PMID: 28358514.
      View in: PubMed
    40. Lin KH, Ali A, Rusere L, Soumana DI, Yilmaz NK, Schiffer CA. Dengue Virus NS2B/NS3 Protease Inhibitors Exploiting the Prime Side. J Virol. 2017 Mar 15. PMID: 28298600.
      View in: PubMed
    41. Prachanronarong KL, Özen 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.
      View in: PubMed
    42. 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. 2016 Nov 16. PMID: 27859766.
      View in: PubMed
    43. Lin KH, Nalivaika EA, Prachanronarong KL, Yilmaz NK, Schiffer CA. Dengue Protease Substrate Recognition: Binding of the Prime Side. ACS Infect Dis. 2016 Oct 14; 2(10):734-743. PMID: 27657335.
      View in: PubMed
    44. 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 Sep 14; 138(36):11850-9. PMID: 27512818.
      View in: PubMed
    45. Kurt Yilmaz N, Swanstrom R, Schiffer CA. Improving Viral Protease Inhibitors to Counter Drug Resistance. Trends Microbiol. 2016 Jul; 24(7):547-57. PMID: 27090931.
      View in: PubMed
    46. 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.
      View in: PubMed
    47. 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 DN. A Balance between Inhibitor Binding and Substrate Processing Confers Influenza Drug Resistance. J Mol Biol. 2016 Feb 13; 428(3):538-53. PMID: 26656922.
      View in: PubMed
    48. 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.
      View in: PubMed
    49. 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.
      View in: PubMed
    50. 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.
      View in: PubMed
    51. 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.
      View in: PubMed
    52. 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.
      View in: PubMed
    53. 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.
      View in: PubMed
    54. 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.
      View in: PubMed
    55. Bohn MF, Shandilya SM, 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 5; 23(5):903-11. PMID: 25914058.
      View in: PubMed
    56. 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.
      View in: PubMed
    57. 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.
      View in: PubMed
    58. Özer N, Özen 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.
      View in: PubMed
    59. 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.
      View in: PubMed
    60. Özen 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.
      View in: PubMed
    61. 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.
      View in: PubMed
    62. 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.
      View in: PubMed
    63. 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.
      View in: PubMed
    64. 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.
      View in: PubMed
    65. 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 2; 588(9):1743-8. PMID: 24657618.
      View in: PubMed
    66. 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.
      View in: PubMed
    67. 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.
      View in: PubMed
    68. 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.
      View in: PubMed
    69. 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.
      View in: PubMed
    70. 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.
      View in: PubMed
    71. 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.
      View in: PubMed
    72. 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.
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    73. 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.
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    74. 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.
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    75. Schiffer C. Interview with Celia Schiffer. Future Med Chem. 2013 Jul; 5(11):1193-7. PMID: 23859201.
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    76. 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.
      View in: PubMed
    77. 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 4; 21(6):1042-50. PMID: 23685212.
      View in: PubMed
    78. 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.
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    172. 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.
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    173. Schiffer CA, Huber R, Wüthrich 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.
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    174. 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.
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    175. 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.
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    176. 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.
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    177. 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.
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    178. 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.
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    179. 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.
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    180. 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.
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    181. 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.
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    182. 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.
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    183. 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.
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    184. 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.
      View in: PubMed
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