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51

A Sensitive Assay Using a Native Protein Substrate for Screening HIV-1 Maturation Inhibitors Targeting the Protease Cleavage Site between the Matrix and Capsid

Lee, Sook-Kyung, Cheng, Nancy, Hull-Ryde, Emily, Potempa, Marc, Schiffer, Celia A., Janzen, William, Swanstrom, Ronald

Journal:

Year:

2013

Language:

english

File:

PDF, 460 KB

english, 2013

52

HIV-1 Protease and Substrate Coevolution Validates the Substrate Envelope As the Substrate Recognition Pattern

Özen, Ayşegül, Haliloğlu, Türkan, Schiffer, Celia A.

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 5.60 MB

english, 2012

53

Substrate Envelope-Designed Potent HIV-1 Protease Inhibitors to Avoid Drug Resistance

Nalam, Madhavi N.L., Ali, Akbar, Reddy, G.S. Kiran Kumar, Cao, Hong, Anjum, Saima G., Altman, Michael D., Yilmaz, Nese Kurt, Tidor, Bruce, Rana, Tariq M., Schiffer, Celia A.

Journal:

Chemistry & Biology

Year:

2013

Language:

english

File:

PDF, 1.29 MB

english, 2013

54

Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design

Hilbert, Brendan J., Grossman, Steven R., Schiffer, Celia A., Royer, William E.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.78 MB

english, 2014

55

Using Molecular Dynamics to Investigate Substrate Recognition and Co-evolution in HIV-1 Protease

Ozen, Aysegul, Haliloglu, Turkan, Schiffer, Celia A.

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 35 KB

english, 2009

56

Structural Explanations to Altered Drug Resistance Pathways in HIV-1 Non-Clade B Proteases

Bandaranayake, Rajintha M., Kolli, Madhavi, Prabu-Jeyabalan, Moses, Nalam, Madhavi, Ng, Christina, Kakizawa, Junko, Heroux, Annie, King, Nancy M., Sugiura, Wataru, Schiffer, Celia A.

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 44 KB

english, 2009

57

Activation Of Interferon Regulatory Factors Revealed By The Crystal Structure Of Dimeric IRF-5

Royer, William E., Chen, Weijun, Lam, Suvana S., Srinath, Hema, Jiang, Zhaozhao, Correia, John J., Schiffer, Celia A., Fitzgerald, Katherine A., Lin, Kai

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 55 KB

english, 2009

58

Protein Engineering as a tool For Probing Potential Protein Dynamics in HIV-1 Protease

Mittal, Seema, Schiffer, Celia A.

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 39 KB

english, 2009

59

Drug Resistance Mutations Alter Dynamics of Inhibitor-Bound HIV-1 Protease

Cai, Yufeng, Myint, Wazo, Paulsen, Janet L., Schiffer, Celia A., Ishima, Rieko, Kurt Yilmaz, Nese

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 2.06 MB

english, 2014

60

Structure-Based Design, Synthesis, and Structure−Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones

Ali, Akbar, Reddy, G. S. Kiran Kumar, Nalam, Madhavi N. L., Anjum, Saima Ghafoor, Cao, Hong, Schiffer, Celia A., Rana, Tariq M.

Journal:

Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 2.53 MB

english, 2010

61

Testing the Substrate-Envelope Hypothesis with Designed Pairs of Compounds

Shen, Yang, Altman, Michael D., Ali, Akbar, Nalam, Madhavi N. L., Cao, Hong, Rana, Tariq M., Schiffer, Celia A., Tidor, Bruce

Journal:

ACS Chemical Biology

Year:

2013

Language:

english

File:

PDF, 5.18 MB

english, 2013

62

Stabilization of Type-I .beta.-Turn Conformations in Peptides Containing the NPNA-Repeat Motif of the Plasmodium falciparum Circumsporozoite Protein by Substituting Proline for (S)-.alpha.-Methylproline

Bisang, Christian, Weber, Christoph, Inglis, Janice, Schiffer, Celia A., van Gunsteren, Wilfred F., Jelesarov, Ilian, Bosshard, Hans. R., Robinson, John A.

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 1.98 MB

english, 1995

63

Crystal structure of human thymidylate synthase: a structural mechanism for guiding substrates into the active site

Schiffer, Celia A., Clifton, Ian J., Davisson, V. Jo, Santi, Daniel V., Stroud, Robert M.

Journal:

Year:

1995

Language:

english

File:

PDF, 3.26 MB

english, 1995

64

Hydrophobic Core Flexibility Modulates Enzyme Activity in HIV-1 Protease

Mittal, Seema, Cai, Yufeng, Nalam, Madhavi N. L., Bolon, Daniel N. A., Schiffer, Celia A.

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 2.78 MB

english, 2012

65

Improving the Resistance Profile of Hepatitis C NS3/4A Inhibitors: Dynamic Substrate Envelope Guided Design

Özen, Ayşegül, Sherman, Woody, Schiffer, Celia A.

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.84 MB

english, 2013

66

Drug Resistance Conferred by Mutations Outside the Active Site through Alterations in the Dynamic and Structural Ensemble of HIV-1 Protease

Ragland, Debra A., Nalivaika, Ellen A., Nalam, Madhavi N. L., Prachanronarong, Kristina L., Cao, Hong, Bandaranayake, Rajintha M., Cai, Yufeng, Kurt-Yilmaz, Nese, Schiffer, Celia A.

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 3.71 MB

english, 2014

67

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

Schiffer, Celia A., Doetsch, Volker, Wuethrich, Kurt, van Gunsteren, Wilfred F.

Journal:

Year:

1995

Language:

english

File:

PDF, 1.40 MB

english, 1995

68

Efficient Computation of Small-Molecule Configurational Binding Entropy and Free Energy Changes by Ensemble Enumeration

Silver, Nathaniel W., King, Bracken M., Nalam, Madhavi N. L., Cao, Hong, Ali, Akbar, Kiran Kumar Reddy, G. S., Rana, Tariq M., Schiffer, Celia A., Tidor, Bruce

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 3.24 MB

english, 2013

69

Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease

Soumana, Djadé I., Ali, Akbar, Schiffer, Celia A.

Journal:

ACS Chemical Biology

Year:

2014

Language:

english

File:

PDF, 6.03 MB

english, 2014

70

Additivity in the Analysis and Design of HIV Protease Inhibitors

Jorissen, Robert N., Reddy, G. S. Kiran Kumar, Ali, Akbar, Altman, Michael D., Chellappan, Sripriya, Anjum, Saima G., Tidor, Bruce, Schiffer, Celia A., Rana, Tariq M., Gilson, Michael K.

Journal:

Journal of Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 647 KB

english, 2009

71

RecA Dimers Serve as a Functional Unit for Assembly of Active Nucleoprotein Filaments †

Forget, Anthony L., Kudron, Michelle M., McGrew, Dharia A., Calmann, Melissa A., Schiffer, Celia A., Knight, Kendall L.

Journal:

Year:

2006

Language:

english

File:

PDF, 298 KB

english, 2006

72

116 Deamination of both methyl- and normal-cytosine by the foreign DNA restriction enzyme APOBEC3A

Carpenter, Michael A., Li, Ming, Rathore, Anurag, Lackey, Lela, Law, Emily K., Land, Allison M., Leonard, Brandon, Shandilya, Shivender M.D., Bohn, Markus-Frederik, Schiffer, Celia A., Brown, William

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

2013

Language:

english

File:

PDF, 83 KB

english, 2013

73

Differential Flap Dynamics in Wild-Type and a Drug Resistant Variant of HIV-1 Protease Revealed by Molecular Dynamics and NMR Relaxation

Cai, Yufeng, Kurt Yilmaz, Nese, Myint, Wazo, Ishima, Rieko, Schiffer, Celia A.

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 5.74 MB

english, 2012

74

A computational analysis of the structural determinants of APOBEC3’s catalytic activity and vulnerability to HIV-1 Vif

Shandilya, Shivender M.D., Bohn, Markus-Frederik, Schiffer, Celia A.

Journal:

Year:

2014

Language:

english

File:

PDF, 5.40 MB

english, 2014

75

Modulation of HIV protease flexibility by the T80N mutation

Zhou, Hao, Li, Shangyang, Badger, John, Nalivaika, Ellen, Cai, Yufeng, Foulkes-Murzycki, Jennifer, Schiffer, Celia, Makowski, Lee

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2014

Language:

english

File:

PDF, 1.45 MB

english, 2014

76

The interdomain interface in bifunctional enzyme protein 3/4A (NS3/4A) regulates protease and helicase activities

Aydin, Cihan, Mukherjee, Sourav, Hanson, Alicia M., Frick, David N., Schiffer, Celia A.

Journal:

Protein Science

Year:

2013

Language:

english

File:

PDF, 873 KB

english, 2013

77

N88D Facilitates the Co-occurrence of D30N and L90M and the Development of Multidrug Resistance in HIV Type 1 Protease following Nelfinavir Treatment Failure

Mitsuya, Yumi, Winters, Mark A., Fessel, W. Jeffrey, Rhee, Soo-Yon, Hurley, Leo, Horberg, Michael, Schiffer, Celia A., Zolopa, Andrew R., Shafer, Robert W.

Journal:

AIDS Research and Human Retroviruses

Year:

2006

Language:

english

File:

PDF, 1.84 MB

english, 2006

78

Structure-Guided Design of a High Affinity Inhibitor to Human CtBP

Hilbert, Brendan J., Morris, Benjamin L., Ellis, Keith C., Paulsen, Janet L., Schiffer, Celia A., Grossman, Steven R., Royer, William E.

Journal:

ACS Chemical Biology

Year:

2015

Language:

english

File:

PDF, 6.11 MB

english, 2015

79

Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease

Özen, Ayşegül, Lin, Kuan-Hung, Kurt Yilmaz, Nese, Schiffer, Celia A.

Journal:

Proceedings of the National Academy of Sciences

Year:

2014

Language:

english

File:

PDF, 1.10 MB

english, 2014

80

Simultaneously Targeting the NS3 Protease and Helicase Activities for More Effective Hepatitis C Virus Therapy

Ndjomou, Jean, Corby, M. Josie, Sweeney, Noreena L., Hanson, Alicia M., Aydin, Cihan, Ali, Akbar, Schiffer, Celia A., Li, Kelin, Frankowski, Kevin J., Schoenen, Frank J., Frick, David N.

Journal:

ACS Chemical Biology

Year:

2015

Language:

english

File:

PDF, 2.96 MB

english, 2015

81

The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors

Romano, Keith P., Ali, Akbar, Aydin, Cihan, Soumana, Djade, Özen, Ayşegül, Deveau, Laura M., Silver, Casey, Cao, Hong, Newton, Alicia, Petropoulos, Christos J., Huang, Wei, Schiffer, Celia A., Gamarni

Journal:

Year:

2012

Language:

english

File:

PDF, 1.12 MB

english, 2012

82

Structural basis for mutation-induced destabilization of profilin 1 in ALS

Boopathy, Sivakumar, Silvas, Tania V., Tischbein, Maeve, Jansen, Silvia, Shandilya, Shivender M., Zitzewitz, Jill A., Landers, John E., Goode, Bruce L., Schiffer, Celia A., Bosco, Daryl A.

Journal:

Proceedings of the National Academy of Sciences

Year:

2015

Language:

english

File:

PDF, 1.13 MB

english, 2015

83

The ssDNA Mutator APOBEC3A Is Regulated by Cooperative Dimerization

Bohn, Markus-Frederik, Shandilya, Shivender M.D., Silvas, Tania V., Nalivaika, Ellen A., Kouno, Takahide, Kelch, Brian A., Ryder, Sean P., Kurt-Yilmaz, Nese, Somasundaran, Mohan, Schiffer, Celia A.

Journal:

Year:

2015

Language:

english

File:

PDF, 2.53 MB

english, 2015

84

REdiii : a pipeline for automated structure solution

Bohn, Markus-Frederik, Schiffer, Celia A.

Journal:

Acta Crystallographica Section D Biological Crystallography

Year:

2015

Language:

english

File:

PDF, 926 KB

english, 2015

85

A Direct Interaction with RNA Dramatically Enhances the Catalytic Activity of the HIV-1 Protease In Vitro

Potempa, Marc, Nalivaika, Ellen, Ragland, Debra, Lee, Sook-Kyung, Schiffer, Celia A., Swanstrom, Ronald

Journal:

Journal of Molecular Biology

Year:

2015

Language:

english

File:

PDF, 1.36 MB

english, 2015

86

Therapeutic targeting of C-terminal binding protein in human cancer

Straza, Michael W., Paliwal, Seema, Kovi, Ramesh C., Rajeshkumar, Barur, Trenh, Peter, Parker, Daniel, Whalen, Giles F., Lyle, Stephen, Schiffer, Celia A., Grossman, Steven R.

Journal:

Year:

2010

Language:

english

File:

PDF, 2.67 MB

english, 2010

87

Interview with Celia Schiffer

Schiffer, Celia

Journal:

Future Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 545 KB

english, 2013

88

Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding

Keith P. Romano, Akbar Ali, William E. Royer, Celia A. Schiffer and John M. Coffin

Journal:

Proceedings of the National Academy of Sciences

Year:

2010

Language:

english

File:

PDF, 1.51 MB

english, 2010

89

[Methods in Enzymology] Macromolecular Crystallography, Part D Volume 374 || Promise of Advances in Simulation Methods for Protein Crystallography: Implicit Solvent Models, Time-Averaging Refinement, and Quantum Mechanical Modeling

Schiffer, Celia

Year:

2003

Language:

english

File:

PDF, 1.09 MB

english, 2003

90

A balance between inhibitor binding and substrate processing confers influenza drug resistance

Jiang, Li, Liu, Ping, Bank, Claudia, Renzette, Nicholas, Prachanronarong, Kristina, Yilmaz, Lutfu S., Caffrey, Daniel R., Zeldovich, Konstantin B., Schiffer, Celia A., Kowalik, Timothy F., Jensen, Jef

Journal:

Journal of Molecular Biology

Year:

2015

Language:

english

File:

PDF, 1.93 MB

english, 2015

91

Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172

Soumana, Djadé I, Kurt Yilmaz, Nese, Prachanronarong, Kristina L, Aydin, Cihan, Ali, Akbar, Schiffer, Celia A.

Journal:

ACS Chemical Biology

Year:

2015

Language:

english

File:

PDF, 3.04 MB

english, 2015

92

Inhibition of APOBEC3G activity impedes double-stranded DNA repair

Prabhu, Ponnandy, Shandilya, Shivender M. D., Britan-Rosich, Elena, Nagler, Adi, Schiffer, Celia A., Kotler, Moshe

Journal:

Year:

2016

Language:

english

File:

PDF, 2.70 MB

english, 2016

93

Improving Viral Protease Inhibitors to Counter Drug Resistance

Kurt Yilmaz, Nese, Swanstrom, Ronald, Schiffer, Celia A.

Journal:

Trends in Microbiology

Year:

2016

Language:

english

File:

PDF, 2.16 MB

english, 2016

94

New approaches to HIV protease inhibitor drug design II: testing the substrate envelope hypothesis to avoid drug resistance and discover robust inhibitors

Nalam, Madhavi NL, Schiffer, Celia A

Journal:

Current Opinion in HIV and AIDS

Year:

2008

Language:

english

File:

PDF, 89 KB

english, 2008

95

Drug-resistant HIV-1 protease regains functional dynamics through cleavage site coevolution

Özer, Nevra, Özen, Ayşegül, Schiffer, Celia A., Haliloğlu, Türkan

Journal:

Evolutionary Applications

Year:

2015

Language:

english

File:

PDF, 1.80 MB

english, 2015

96

Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease

Soumana, Djadé I, Kurt Yilmaz, Nese, Ali, Akbar, Prachanronarong, Kristina L, Schiffer, Celia A.

Journal:

Journal of the American Chemical Society

Year:

2016

Language:

english

File:

PDF, 5.45 MB

english, 2016

97

Dengue Protease Substrate Recognition: Binding of the Prime Side

Lin, Kuan-Hung, Nalivaika, Ellen A., Prachanronarong, Kristina L, Kurt Yilmaz, Nese, Schiffer, Celia A.

Journal:

ACS Infectious Diseases

Year:

2016

Language:

english

File:

PDF, 1.57 MB

english, 2016

98

Remembering Professor Amy Christine Anderson

Schiffer, Celia

Journal:

Cell Chemical Biology

Year:

2016

Language:

english

File:

PDF, 300 KB

english, 2016

99

Structural and molecular analysis of a protective epitope of Lyme disease antigen OspA and antibody interactions

Shandilya, Shivender, Kurt Yilmaz, Nese, Sadowski, Andrew, Monir, Ejemel, Schiller, Zachary A., Thomas, William D., Klempner, Mark S., Schiffer, Celia A., Wang, Yang

Journal:

Journal of Molecular Recognition

Year:

2016

Language:

english

File:

PDF, 1.11 MB

english, 2016

100

NIH Public Access

Mitsuya, Yumi, Winters, Mark A, Fessel, W Jeffrey, Rhee, Soo-yon, Horberg, Michael, Schiffer, Celia A, Zolopa, Andrew R, Shafer, Robert W

Year:

2008

Language:

english

File:

PDF, 557 KB

english, 2008