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Author Details

Celia A Schiffer
University of Massachusetts Chan Medical School
1990
206
48
Nevan J Krogan (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
36804958Non-canonical pattern recognition of a pathogen-derived metabolite by a nuclear hormone receptor identifies virulent bacteria in C. elegans.Immunity2023
37425765FruitFire: a luciferase based on a fruit fly metabolic enzyme.bioRxiv2023
37390404Systematic Analyses of the Resistance Potential of Drugs Targeting SARS-CoV-2 Main Protease.ACS Infect Dis2023
36992489Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.Viruses2023
37244161HIV-1 protease inhibitors with a P1 phosphonate modification maintain potency against drug-resistant variants by increased interactions with flap residues.Eur J Med Chem2023
36446201Allosteric quinoxaline-based inhibitors of the flavivirus NS2B/NS3 protease.Bioorg Chem2023
36920025Selection of HIV-1 for resistance to fifth-generation protease inhibitors reveals two independent pathways to high-level resistance.Elife2023
35263097Call for Papers: Drug Resistance in Infectious Diseases and Beyond.ACS Infect Dis2022
35550909HIV-1 VIF and human APOBEC3G interaction directly observed through molecular specific labeling using a new dual promotor vector.J Magn Reson2022
35729165Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.Nat Commun2022
35723575Comprehensive fitness landscape of SARS-CoV-2 M<sup>pro</sup> reveals insights into viral resistance mechanisms.Elife2022
36402773Structure of the catalytically active APOBEC3G bound to a DNA oligonucleotide inhibitor reveals tetrahedral geometry of the transition state.Nat Commun2022
36172366Mucosal nanobody IgA as inhalable and affordable prophylactic and therapeutic treatment against SARS-CoV-2 and emerging variants.Front Immunol2022
36356199Dual Inhibitors of Main Protease (M<sup>Pro</sup>) and Cathepsin L as Potent Antivirals against SARS-CoV2.J Am Chem Soc2022
35290796Quantitative structural analysis of influenza virus by cryo-electron tomography and convolutional neural networks.Structure2022
35045267Identification of a Permissive Secondary Mutation That Restores the Enzymatic Activity of Oseltamivir Resistance Mutation H275Y.J Virol2022
35183560Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.J Mol Biol2022
33410674Drug Design Strategies to Avoid Resistance in Direct-Acting Antivirals and Beyond.Chem Rev2021
33486429Interactions of APOBEC3s with DNA and RNA.Curr Opin Struct Biol2021
33619959Inhibiting HTLV-1 Protease: A Viable Antiviral Target.ACS Chem Biol2021
33758864Development of potency, breadth and resilience to viral escape mutations in SARS-CoV-2 neutralizing antibodies.bioRxiv2021
33783217Deciphering Complex Mechanisms of Resistance and Loss of Potency through Coupled Molecular Dynamics and Machine Learning.J Chem Theory Comput2021
33757288Introduction: Drug Resistance.Chem Rev2021
33503819Crystal Structure of SARS-CoV-2 Main Protease in Complex with the Non-Covalent Inhibitor ML188.Viruses2021
33524397NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).J Biol Chem2021
33495478Unique structural solution from a V<sub>H</sub>3-30 antibody targeting the hemagglutinin stem of influenza A viruses.Nat Commun2021
34861941Viral proteases: Structure, mechanism and inhibition.Enzymes2021
35299788Analyses of HIV proteases variants at the threshold of viability reveals relationships between processing efficiency and fitness.Virus Evol2021
34405680Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants.J Med Chem2021
34506130Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode.Biochemistry2021
34171358Structural basis of substrate specificity in human cytidine deaminase family APOBEC3s.J Biol Chem2021
34138546Deciphering Antifungal Drug Resistance in <i>Pneumocystis jirovecii</i> DHFR with Molecular Dynamics and Machine Learning.J Chem Inf Model2021
34111271Report of the National Institutes of Health SARS-CoV-2 Antiviral Therapeutics Summit.J Infect Dis2021
34331873Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.Immunity2021
33264605Cryo-EM structure of CtBP2 confirms tetrameric architecture.Structure2021
32511396IgA MAb blocks SARS-CoV-2 Spike-ACE2 interaction providing mucosal immunity.bioRxiv2020
31877249Characterizing Protein-Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease.J Chem Theory Comput2020
31868341Molecular and Structural Mechanism of Pan-Genotypic HCV NS3/4A Protease Inhibition by Glecaprevir.ACS Chem Biol2020
33098858Crystal Structure of a Soluble APOBEC3G Variant Suggests ssDNA to Bind in a Channel that Extends between the Two Domains.J Mol Biol2020
32719542Genome-scale in vivo CRISPR screen identifies RNLS as a target for beta cell protection in type 1 diabetes.Nat Metab2020
32826914A cross-reactive human IgA monoclonal antibody blocks SARS-CoV-2 spike-ACE2 interaction.Nat Commun2020
32672965Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.J Med Chem2020
32234812Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.mBio2020
32133994Optimizing the refinement of merohedrally twinned P6<sub>1</sub> HIV-1 protease-inhibitor cocrystal structures.Acta Crystallogr D Struct Biol2020
30381484Mutations in Influenza A Virus Neuraminidase and Hemagglutinin Confer Resistance against a Broadly Neutralizing Hemagglutinin Stem Antibody.J Virol2019
31386368HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.J Med Chem2019
31243634NMR and MD studies combined to elucidate inhibitor and water interactions of HIV-1 protease and their modulations with resistance mutations.J Biomol NMR2019
31386353Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance.Biochemistry2019
31241202APOBEC3s: DNA-editing human cytidine deaminases.Protein Sci2019
31381335Target-Specific Prediction of Ligand Affinity with Structure-Based Interaction Fingerprints.J Chem Inf Model2019
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Collaborators

Akbar Ali
University of Massachusetts Chan Medical School
Co-authored papers 38
Ronald Swanstrom
Lineberger Comprehensive Cancer Center, University of North Carolina at Chapel Hill
Co-authored papers 16
Mohan Somasundaran
University of Massachusetts Chan Medical School
Co-authored papers 13
Shivender M D Shandilya
University of Massachusetts Medical School
Co-authored papers 13
Hiroshi Matsuo
Frederick National Laboratory for Cancer Research
Co-authored papers 13
Tariq M Rana
Institute for Genomic Medicine, University of California San Diego
Co-authored papers 11
Jeffrey D Jensen
Co-authored papers 10
Markus-Frederik Bohn
Department of Pharmaceutical Chemistry, University of California San Francisco
Co-authored papers 8
Turkan Haliloglu
Co-authored papers 8
Michael K Gilson
University of California
Co-authored papers 6
Robert W Shafer
Co-authored papers 6
Rieko Ishima
University of Pittsburgh School of Medicine
Co-authored papers 5
Reuben S Harris
University of Texas Health San Antonio
Co-authored papers 5
Monir Ejemel
Co-authored papers 4
Yang Wang
Co-authored papers 4
Robert M Stroud
University of California San Francisco
Co-authored papers 4
Troy W Whitfield
Co-authored papers 4
Michael A Carpenter
University of Minnesota
Co-authored papers 3
Ming Li
Department of Cancer Research Institute, University of South Australia
Co-authored papers 3
Anurag Rathore
Aaron Diamond AIDS Research Center, Columbia University Irving Medical Center
Co-authored papers 3
Katherine A Fitzgerald
Co-authored papers 3
Weijun Chen
Co-authored papers 3
Mohsan Saeed
Boston University Chobanian and Avedisian School of Medicine
Co-authored papers 2
Sergey V Venev
Co-authored papers 2
Karin M Green
Co-authored papers 2
Pamela J Bjorkman
Co-authored papers 2
William L Brown
University of Minnesota
Co-authored papers 2
Thiago Y Oliveira
The Rockefeller University
Co-authored papers 2
Volker D??tsch
Institute for Biophysical Chemistry, Goethe-University
Co-authored papers 2
Peter A Kollman
Co-authored papers 2
Release 1.2