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Schiffer, Celia
One or more keywords matched the following properties of Schiffer, Celia
PropertyValue
full name Celia A Schiffer PhD
keywords Molecular Dynamics Simulation
keywords Organic Synthesis
keywords APOBEC3's
label Schiffer, Celia
last name Schiffer
overview

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.

 
One or more keywords matched the following items that are connected to Schiffer, Celia
Item TypeName
Academic Article Structural stability of disulfide mutants of basic pancreatic trypsin inhibitor: a molecular dynamics study.
Academic Article Comparison of psychosocial adaptation of advanced stage Hodgkin's disease and acute leukemia survivors. Cancer and Leukemia Group B.
Academic Article The role of protein-solvent interactions in protein unfolding.
Academic Article Accessibility and order of water sites in and around proteins: A crystallographic time-averaging study.
Academic Article 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.
Academic Article Crystal structure of human thymidylate synthase: a structural mechanism for guiding substrates into the active site.
Academic Article Curling of flap tips in HIV-1 protease as a mechanism for substrate entry and tolerance of drug resistance.
Academic Article The maturation of dendritic cells results in postintegration inhibition of HIV-1 replication.
Academic Article 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.
Academic Article 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.
Academic Article Time-averaging crystallographic refinement: possibilities and limitations using alpha-cyclodextrin as a test system.
Academic Article Structural and thermodynamic basis for the binding of TMC114, a next-generation human immunodeficiency virus type 1 protease inhibitor.
Academic Article Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor.
Academic Article Design of HIV-1 protease inhibitors active on multidrug-resistant virus.
Academic Article PTEN enters the nucleus by diffusion.
Academic Article Crystallization of human thymidylate synthase.
Academic Article Co-evolution of nelfinavir-resistant HIV-1 protease and the p1-p6 substrate.
Academic Article Substrate envelope and drug resistance: crystal structure of RO1 in complex with wild-type human immunodeficiency virus type 1 protease.
Academic Article How does a symmetric dimer recognize an asymmetric substrate? A substrate complex of HIV-1 protease.
Academic Article Competition between Ski and CREB-binding protein for binding to Smad proteins in transforming growth factor-beta signaling.
Academic Article Evaluation of the substrate envelope hypothesis for inhibitors of HIV-1 protease.
Academic Article Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesis.
Academic Article Design and synthesis of HIV-1 protease inhibitors incorporating oxazolidinones as P2/P2' ligands in pseudosymmetric dipeptide isosteres.
Academic Article Contribution of Ser386 and Ser396 to activation of interferon regulatory factor 3.
Academic Article Insights into interferon regulatory factor activation from the crystal structure of dimeric IRF5.
Academic Article Viral protease inhibitors.
Academic Article Additivity in the analysis and design of HIV protease inhibitors.
Academic Article Toward the design of mutation-resistant enzyme inhibitors: further evaluation of the substrate envelope hypothesis.
Academic Article Crystal structure of the APOBEC3G catalytic domain reveals potential oligomerization interfaces.
Academic Article Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Academic Article 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.
Academic Article The effect of clade-specific sequence polymorphisms on HIV-1 protease activity and inhibitor resistance pathways.
Academic Article Structure-based design, synthesis, and structure-activity relationship studies of HIV-1 protease inhibitors incorporating phenyloxazolidinones.
Academic Article Molecular mechanisms of viral and host cell substrate recognition by hepatitis C virus NS3/4A protease.
Academic Article Dynamics of preferential substrate recognition in HIV-1 protease: redefining the substrate envelope.
Academic Article The challenge of developing robust drugs to overcome resistance.
Academic Article Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes.
Academic Article Molecular Basis for Drug Resistance in HIV-1 Protease.
Academic Article First-in-class small molecule inhibitors of the single-strand DNA cytosine deaminase APOBEC3G.
Academic Article Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
Academic Article 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.
Academic Article Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance.
Academic Article Extreme entropy-enthalpy compensation in a drug-resistant variant of HIV-1 protease.
Academic Article Methylcytosine and normal cytosine deamination by the foreign DNA restriction enzyme APOBEC3A.
Academic Article The molecular basis of drug resistance against hepatitis C virus NS3/4A protease inhibitors.
Academic Article Point mutants of EHEC intimin that diminish Tir recognition and actin pedestal formation highlight a putative Tir binding pocket.
Academic Article Nitric oxide-mediated inhibition of Hdm2-p53 binding.
Academic Article Viability of a drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy.
Academic Article Cooperative effects of drug-resistance mutations in the flap region of HIV-1 protease.
Academic Article Mutation patterns and structural correlates in human immunodeficiency virus type 1 protease following different protease inhibitor treatments.
Academic Article Structure-based prediction of potential binding and nonbinding peptides to HIV-1 protease.
Academic Article Covariation of amino acid positions in HIV-1 protease.
Academic Article Promise of advances in simulation methods for protein crystallography: implicit solvent models, time-averaging refinement, and quantum mechanical modeling.
Academic Article Simultaneous refinement of the structure of BPTI against NMR data measured in solution and X-ray diffraction data measured in single crystals.
Academic Article Accounting for molecular mobility in structure determination based on nuclear magnetic resonance spectroscopic and X-ray diffraction data.
Academic Article 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.
Academic Article Expression, purification, and characterization of thymidylate synthase from Lactococcus lactis.
Academic Article Cigarette smoking and risk of acute leukemia: associations with morphology and cytogenetic abnormalities in bone marrow.
Academic Article Inclusion of solvation free energy with molecular mechanics energy: alanyl dipeptide as a test case.
Academic Article Combating susceptibility to drug resistance: lessons from HIV-1 protease.
Academic Article Structural basis for coevolution of a human immunodeficiency virus type 1 nucleocapsid-p1 cleavage site with a V82A drug-resistant mutation in viral protease.
Academic Article Association of a novel human immunodeficiency virus type 1 protease substrate cleft mutation, L23I, with protease inhibitor therapy and in vitro drug resistance.
Academic Article Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate.
Academic Article Substrate specificity in HIV-1 protease by a biased sequence search method.
Academic Article Role of invariant Thr80 in human immunodeficiency virus type 1 protease structure, function, and viral infectivity.
Academic Article RecA dimers serve as a functional unit for assembly of active nucleoprotein filaments.
Academic Article Discovery of HIV-1 protease inhibitors with picomolar affinities incorporating N-aryl-oxazolidinone-5-carboxamides as novel P2 ligands.
Academic Article N88D facilitates the co-occurrence of D30N and L90M and the development of multidrug resistance in HIV type 1 protease following nelfinavir treatment failure.
Academic Article Hydrophobic sliding: a possible mechanism for drug resistance in human immunodeficiency virus type 1 protease.
Academic Article Prediction of homologous protein structures based on conformational searches and energetics.
Academic Article Crystal structure of lysine sulfonamide inhibitor reveals the displacement of the conserved flap water molecule in human immunodeficiency virus type 1 protease.
Academic Article Mass spectrometry analysis of HIV-1 Vif reveals an increase in ordered structure upon oligomerization in regions necessary for viral infectivity.
Academic Article Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease.
Academic Article HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
Academic Article Structural analysis of human immunodeficiency virus type 1 CRF01_AE protease in complex with the substrate p1-p6.
Academic Article Resilience to resistance of HIV-1 protease inhibitors: profile of darunavir.
Academic Article New approaches to HIV protease inhibitor drug design II: testing the substrate envelope hypothesis to avoid drug resistance and discover robust inhibitors.
Academic Article Human immunodeficiency virus type 1 protease-correlated cleavage site mutations enhance inhibitor resistance.
Academic Article Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance.
Academic Article Rationale for more diverse inhibitors in competition with substrates in HIV-1 protease.
Academic Article Investigations of peptide hydration using NMR and molecular dynamics simulations: A study of effects of water on the conformation and dynamics of antamanide.
Academic Article Therapeutic targeting of C-terminal binding protein in human cancer.
Academic Article Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Academic Article Three residues in HIV-1 matrix contribute to protease inhibitor susceptibility and replication capacity.
Academic Article 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.
Academic Article Decomposing the energetic impact of drug-resistant mutations: the example of HIV-1 protease-DRV binding.
Academic Article Quantitative comparison of errors in 15N transverse relaxation rates measured using various CPMG phasing schemes.
Academic Article Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Academic Article Mass spectrometry tools for analysis of intermolecular interactions.
Academic Article Structural insights into neuronal K+ channel-calmodulin complexes.
Academic Article Collinearity of protease mutations in HIV-1 samples with high-level protease inhibitor class resistance.
Academic Article Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
Academic Article Crystal structure of the DNA cytosine deaminase APOBEC3F: the catalytically active and HIV-1 Vif-binding domain.
Academic Article Interview with Celia Schiffer.
Academic Article Evolution of the influenza A virus genome during development of oseltamivir resistance in vitro.
Academic Article Prognostic importance of mutations in the ras proto-oncogenes in de novo acute myeloid leukemia.
Academic Article 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.
Concept Tandem Mass Spectrometry
Concept Blotting, Southern
Concept Drug Stability
Concept Sperm Motility
Concept Drug Administration Schedule
Concept Sequence Analysis, DNA
Concept Receptors, Somatotropin
Concept Survival Rate
Concept Data Interpretation, Statistical
Concept Mass Spectrometry
Concept Software
Concept Sequence Analysis, RNA
Concept Tumor Suppressor Protein p53
Concept Magnetic Resonance Spectroscopy
Concept Influenza A Virus, H1N2 Subtype
Concept Genes, Tumor Suppressor
Concept Stereoisomerism
Concept Seminal Plasma Proteins
Concept Oncogenes
Concept Epistasis, Genetic
Concept Mutagenesis, Site-Directed
Concept Genome, Bacterial
Concept Quantitative Structure-Activity Relationship
Concept Influenza A Virus, H1N1 Subtype
Concept Amyotrophic Lateral Sclerosis
Concept Sensitivity and Specificity
Concept Information Storage and Retrieval
Concept Cell Survival
Concept Receptors, Cell Surface
Concept Selection, Genetic
Concept Genes, Viral
Concept Amino Acid Substitution
Concept Chi-Square Distribution
Concept Syndrome
Concept Computer Simulation
Concept Immunoglobulin A, Secretory
Concept Genetic Code
Concept Amino Acid Sequence
Concept Disease-Free Survival
Concept Drug Delivery Systems
Concept Two-Hybrid System Techniques
Concept Saccharomyces cerevisiae
Concept Cohort Studies
Concept Myelodysplastic Syndromes
Concept Reference Standards
Concept Nervous System Diseases
Concept Smad Proteins
Concept Small Molecule Libraries
Concept Intracellular Signaling Peptides and Proteins
Concept Serine Proteinase Inhibitors
Concept Spectrometry, Mass, Electrospray Ionization
Concept Spermatozoa
Concept Solvents
Concept Static Electricity
Concept Molecular Structure
Concept Conserved Sequence
Concept Genes, ras
Concept Insulin-Secreting Cells
Concept Models, Statistical
Concept Influenza A Virus, H3N2 Subtype
Concept Granulocyte-Macrophage Colony-Stimulating Factor
Concept Surface-Active Agents
Concept Drug Synergism
Concept Signal Transduction
Concept Nucleic Acid Conformation
Concept Severity of Illness Index
Concept Protein Structure, Secondary
Concept Thymidylate Synthase
Concept Hematopoietic Stem Cells
Concept High-Throughput Screening Assays
Concept Protein Structure, Tertiary
Concept Adaptor Proteins, Signal Transducing
Concept Smoking
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Concept Core Binding Factor beta Subunit
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Concept Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization
Concept Enzyme Stability
Concept Skin Diseases, Infectious
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Concept Sequence Alignment
Concept Synchrotrons
Concept Serine Proteases
Concept Protein Structure, Quaternary
Concept Structural Homology, Protein
Concept Binding Sites
Concept Case-Control Studies
Concept Microbial Sensitivity Tests
Concept Induced Pluripotent Stem Cells
Concept Calcium Signaling
Concept Neoplasm Staging
Concept Antibody Specificity
Concept Macromolecular Substances
Concept Prospective Studies
Concept Stochastic Processes
Concept Socioeconomic Factors
Concept Sequence Homology, Amino Acid
Concept Solutions
Concept Stress, Psychological
Concept Sequence Homology, Nucleic Acid
Concept Substrate Specificity
Concept Genome-Wide Association Study
Concept Surveys and Questionnaires
Concept Serine Endopeptidases
Concept Allosteric Site
Concept Rats, Sprague-Dawley
Concept Swine
Concept United States
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Concept Sulfonamides
Concept Anemia, Sickle Cell
Concept Structure-Activity Relationship
Concept Staurosporine
Concept Base Sequence
Concept Follow-Up Studies
Concept Genome, Viral
Concept DNA, Single-Stranded
Concept Molecular Sequence Data
Concept Surface Properties
Academic Article Influenza virus drug resistance: a time-sampled population genetics perspective.
Academic Article Evaluating the role of macrocycles in the susceptibility of hepatitis C virus NS3/4A protease inhibitors to drug resistance.
Academic Article A sensitive assay using a native protein substrate for screening HIV-1 maturation inhibitors targeting the protease cleavage site between the matrix and capsid.
Academic Article Testing the substrate-envelope hypothesis with designed pairs of compounds.
Academic Article Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Academic Article The interdomain interface in bifunctional enzyme protein 3/4A (NS3/4A) regulates protease and helicase activities.
Academic Article Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design.
Academic Article HIV-1 protease-substrate coevolution in nelfinavir resistance.
Academic Article Differential Flap Dynamics in Wild-type and a Drug Resistant Variant of HIV-1 Protease Revealed by Molecular Dynamics and NMR Relaxation.
Academic Article Drug Resistance Mutations Alter Dynamics of Inhibitor-Bound HIV-1 Protease.
Academic Article Drug resistance conferred by mutations outside the active site through alterations in the dynamic and structural ensemble of HIV-1 protease.
Academic Article Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease.
Academic Article A computational analysis of the structural determinants of APOBEC3's catalytic activity and vulnerability to HIV-1 Vif.
Academic Article Structural analysis of asunaprevir resistance in HCV NS3/4A protease.
Academic Article Improving the Resistance Profile of Hepatitis C NS3/4A Inhibitors: Dynamic Substrate Envelope Guided Design.
Academic Article Development of a Novel Screening Strategy Designed to Discover a New Class of HIV Drugs.
Academic Article HIV-1 Protease and Substrate Coevolution Validates the Substrate Envelope As the Substrate Recognition Pattern.
Academic Article Decomposing the energetic impact of drug resistant mutations in HIV-1 protease on binding DRV.
Academic Article A novel Geobacteraceae-specific outer membrane protein J (OmpJ) is essential for electron transport to Fe(III) and Mn(IV) oxides in Geobacter sulfurreducens.
Academic Article Investigation of protein unfolding and stability by computer simulation.
Academic Article Positive Selection Drives Preferred Segment Combinations during Influenza Virus Reassortment.
Academic Article Drug-resistant HIV-1 protease regains functional dynamics through cleavage site coevolution.
Academic Article The ssDNA Mutator APOBEC3A Is Regulated by Cooperative Dimerization.
Academic Article Structure-guided design of a high affinity inhibitor to human CtBP.
Academic Article REdiii: a pipeline for automated structure solution.
Academic Article Structure of the Vif-binding domain of the antiviral enzyme APOBEC3G.
Academic Article A Direct Interaction with RNA Dramatically Enhances the Catalytic Activity of the HIV-1 Protease In Vitro.
Academic Article Structural basis for mutation-induced destabilization of profilin 1 in ALS.
Academic Article Simultaneously Targeting the NS3 Protease and Helicase Activities for More Effective Hepatitis C Virus Therapy.
Academic Article Modulation of HIV protease flexibility by the T80N mutation.
Academic Article A Balance between Inhibitor Binding and Substrate Processing Confers Influenza Drug Resistance.
Academic Article Inhibition of APOBEC3G activity impedes double-stranded DNA repair.
Academic Article Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172.
Academic Article Improving Viral Protease Inhibitors to Counter Drug Resistance.
Academic Article Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease.
Academic Article Dengue Protease Substrate Recognition: Binding of the Prime Side.
Academic Article Efficient Computation of Small-Molecule Configurational Binding Entropy and Free Energy Changes by Ensemble Enumeration.
Academic Article Prototypical Recombinant Multi-Protease-Inhibitor-Resistant Infectious Molecular Clones of Human Immunodeficiency Virus Type 1.
Academic Article Structural and molecular analysis of a protective epitope of Lyme disease antigen OspA and antibody interactions.
Academic Article Molecular Basis for Differential Patterns of Drug Resistance in Influenza N1 and N2 Neuraminidase.
Academic Article Dengue Virus NS2B/NS3 Protease Inhibitors Exploiting the Prime Side.
Academic Article Interdependence of Inhibitor Recognition in HIV-1 Protease.
Academic Article Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
Academic Article CRISPR-Cas9-mediated saturated mutagenesis screen predicts clinical drug resistance with improved accuracy.
Academic Article Elucidating the Interdependence of Drug Resistance from Combinations of Mutations.
Academic Article Structural Determination of the Broadly Reactive Anti-IGHV1-69 Anti-idiotypic Antibody G6 and Its Idiotope.
Academic Article Synonymous Mutations at the Beginning of the Influenza A Virus Hemagglutinin Gene Impact Experimental Fitness.
Academic Article Hydration Structure and Dynamics of Inhibitor-Bound HIV-1 Protease.
Academic Article Substrate sequence selectivity of APOBEC3A implicates intra-DNA interactions.
Academic Article Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.
Academic Article Molecular Mechanism of Resistance in a Clinically Significant Double-Mutant Variant of HCV NS3/4A Protease.
Academic Article Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.
Academic Article Probing Structural Changes among Analogous Inhibitor-Bound Forms of HIV-1 Protease and a Drug-Resistant Mutant in Solution by Nuclear Magnetic Resonance.
Academic Article T cell epitope engineering: an avian H7N9 influenza vaccine strategy for pandemic preparedness and response.
Academic Article Mutations in Influenza A Virus Neuraminidase and Hemagglutinin Confer Resistance against a Broadly Neutralizing Hemagglutinin Stem Antibody.
Academic Article A comparative study of two different doses of cytarabine for acute myeloid leukemia: a phase III trial of Cancer and Leukemia Group B.
Academic Article Risk factors for high-dose cytarabine neurotoxicity: an analysis of a cancer and leukemia group B trial in patients with acute myeloid leukemia.
Academic Article Intensive postremission chemotherapy in adults with acute myeloid leukemia. Cancer and Leukemia Group B.
Academic Article A phase I trial of carboplatin and etoposide given as continuous infusions to adults with leukemia.
Academic Article Postremission therapy in older patients with de novo acute myeloid leukemia: a randomized trial comparing mitoxantrone and intermediate-dose cytarabine with standard-dose cytarabine.
Academic Article Assembly of human C-terminal binding protein (CtBP) into tetramers.
Academic Article Mavyret: A Pan-Genotypic Combination Therapy for the Treatment of Hepatitis C InfectionPublished as part of the Biochemistry series "Biochemistry to Bedside".
Academic Article A call to arms: Unifying the fight against resistance.
Academic Article Structural Analysis of the Active Site and DNA Binding of Human Cytidine Deaminase APOBEC3B.
Academic Article HIV-1 Protease Uses Bi-Specific S2/S2' Subsites to Optimize Cleavage of Two Classes of Target Sites.
Academic Article Crystal structure of the catalytic domain of HIV-1 restriction factor APOBEC3G in complex with ssDNA.
Academic Article Granulocyte-macrophage colony-stimulating factor after initial chemotherapy for elderly patients with primary acute myelogenous leukemia. Cancer and Leukemia Group B.
Academic Article Phase IB study of the FLT3 kinase inhibitor midostaurin with chemotherapy in younger newly diagnosed adult patients with acute myeloid leukemia.
Academic Article Citrullination of NF-?B p65 promotes its nuclear localization and TLR-induced expression of IL-1? and TNFa.
Academic Article Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
Academic Article Constrained Mutational Sampling of Amino Acids in HIV-1 Protease Evolution.
Academic Article Resistance outside the substrate envelope: hepatitis C NS3/4A protease inhibitors.
Academic Article Correction to Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
Academic Article APOBEC3s: DNA-editing human cytidine deaminases.
Academic Article NMR and MD studies combined to elucidate inhibitor and water interactions of HIV-1 protease and their modulations with resistance mutations.
Academic Article Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.
Academic Article Target-Specific Prediction of Ligand Affinity with Structure-Based Interaction Fingerprints.
Academic Article HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
Academic Article Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance.
Academic Article Mechanism for APOBEC3G catalytic exclusion of RNA and non-substrate DNA.
Academic Article Molecular and Structural Mechanism of Pan-Genotypic HCV NS3/4A Protease Inhibition by Glecaprevir.
Academic Article Characterizing Protein-Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease.
Academic Article Optimizing the refinement of merohedrally twinned P61 HIV-1 protease-inhibitor cocrystal structures.
Academic Article Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Academic Article IgA MAb blocks SARS-CoV-2 Spike-ACE2 interaction providing mucosal immunity.
Academic Article Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
Academic Article Genome-scale in vivo CRISPR screen identifies RNLS as a target for beta cell protection in type 1 diabetes.
Academic Article A cross-reactive human IgA monoclonal antibody blocks SARS-CoV-2 spike-ACE2 interaction.
Academic Article Crystal Structure of a Soluble APOBEC3G Variant Suggests ssDNA to Bind in a Channel that Extends between the Two Domains.
Academic Article Cryo-EM structure of CtBP2 confirms tetrameric architecture.
Academic Article Drug Design Strategies to Avoid Resistance in Direct-Acting Antivirals and Beyond.
Academic Article Unique structural solution from a VH3-30 antibody targeting the hemagglutinin stem of influenza A viruses.
Academic Article Interactions of APOBEC3s with DNA and RNA.
Academic Article Deciphering Complex Mechanisms of Resistance and Loss of Potency through Coupled Molecular Dynamics and Machine Learning.
Academic Article Crystal Structure of SARS-CoV-2 Main Protease in Complex with the Non-Covalent Inhibitor ML188.
Academic Article NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
Academic Article Inhibiting HTLV-1 Protease: A Viable Antiviral Target.
Academic Article Introduction: Drug Resistance.
Academic Article Development of potency, breadth and resilience to viral escape mutations in SARS-CoV-2 neutralizing antibodies.
Academic Article Report of the National Institutes of Health SARS-CoV-2 Antiviral Therapeutics Summit.
Academic Article Deciphering Antifungal Drug Resistance in Pneumocystis jirovecii DHFR with Molecular Dynamics and Machine Learning.
Academic Article Structural basis of substrate specificity in human cytidine deaminase family APOBEC3s.
Academic Article Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations.
Academic Article Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants.
Academic Article Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode.
Academic Article Viral proteases: Structure, mechanism and inhibition.
Concept Atazanavir Sulfate
Concept Silent Mutation
Concept High-Throughput Nucleotide Sequencing
Concept Single-Domain Antibodies
Concept Molecular Docking Simulation
Concept Influenza A Virus, H7N9 Subtype
Concept Endoplasmic Reticulum Stress
Concept Chemistry Techniques, Synthetic
Concept Sialic Acid Binding Ig-like Lectin 3
Concept Clustered Regularly Interspaced Short Palindromic Repeats
Concept CRISPR-Cas Systems
Concept Spike Glycoprotein, Coronavirus
Academic Article Identification of a Permissive Secondary Mutation That Restores the Enzymatic Activity of Oseltamivir Resistance Mutation H275Y.
Academic Article Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.
Academic Article Call for Papers: Drug Resistance in Infectious Diseases and Beyond.
Academic Article Quantitative structural analysis of influenza virus by cryo-electron tomography and convolutional neural networks.
Academic Article Analyses of HIV proteases variants at the threshold of viability reveals relationships between processing efficiency and fitness.
Academic Article HIV-1 VIF and human APOBEC3G interaction directly observed through molecular specific labeling using a new dual promotor vector.
Academic Article Comprehensive fitness landscape of SARS-CoV-2 Mpro reveals insights into viral resistance mechanisms.
Academic Article Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Academic Article Dual Inhibitors of Main Protease (MPro) and Cathepsin L as Potent Antivirals against SARS-CoV2.
Academic Article Structure of the catalytically active APOBEC3G bound to a DNA oligonucleotide inhibitor reveals tetrahedral geometry of the transition state.
Academic Article Allosteric quinoxaline-based inhibitors of the flavivirus NS2B/NS3 protease.
Academic Article Mucosal nanobody IgA as inhalable and affordable prophylactic and therapeutic treatment against SARS-CoV-2 and emerging variants.
Academic Article Non-canonical pattern recognition of a pathogen-derived metabolite by a nuclear hormone receptor identifies virulent bacteria in C.?elegans.
Academic Article Selection of HIV-1 for resistance to fifth-generation protease inhibitors reveals two independent pathways to high-level resistance.
Academic Article Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Academic Article FruitFire: a luciferase based on a fruit fly metabolic enzyme.
Academic Article HIV-1 protease inhibitors with a P1 phosphonate modification maintain potency against drug-resistant variants by increased interactions with flap residues.
Academic Article Systematic Analyses of the Resistance Potential of Drugs Targeting SARS-CoV-2 Main Protease.
Academic Article Addressing the dNTP bottleneck restricting prime editing activity.
Academic Article Report of the National Cancer Institute-sponsored workshop on definitions of diagnosis and response in acute myeloid leukemia.
Academic Article Chronic lymphocytic leukemia: recommendations.
Academic Article Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Academic Article Report of an international working group to standardize response criteria for myelodysplastic syndromes.
Academic Article Guidelines for clinical protocols for chronic lymphocytic leukemia: recommendations of the National Cancer Institute-sponsored working group.
Academic Article Direct delivery of stabilized Cas-embedded base editors achieves efficient and accurate editing of clinically relevant targets.
Academic Article Contributions of Hyperactive Mutations in Mpro from SARS-CoV-2 to Drug Resistance.
Academic Article Myelodysplastic syndromes standardized response criteria: further definition.
Academic Article Increasing intracellular dNTP levels improves prime editing efficiency.
Academic Article FcRn-enhancing mutations lead to increased and prolonged levels of the HIV CCR5-blocking monoclonal antibody leronlimab in the fetuses and newborns of pregnant rhesus macaques.
Academic Article Elucidating the Substrate Envelope of Enterovirus 68-3C Protease: Structural Basis of Specificity and Potential Resistance.
Academic Article Next generation APOBEC3 inhibitors: Optimally designed for potency and nuclease stability.
Academic Article Virion-associated influenza hemagglutinin clusters upon sialic acid binding visualized by cryo-electron tomography.
Academic Article Efficient convergent synthesis of 1,3-diazepinone nucleosides by ring-closing metathesis and direct glycosylation.
Academic Article Direct delivery of Cas-embedded cytosine base editors as ribonucleoprotein complexes for efficient and accurate editing of clinically relevant targets.
Academic Article Structural Analysis of Inhibitor Binding to Enterovirus-D68 3C Protease.
Academic Article Next generation?APOBEC3 inhibitors: optimally designed for potency and nuclease stability.
Academic Article Virion-associated influenza hemagglutinin clusters upon sialic acid binding visualized by cryoelectron tomography.
Academic Article Molecular mechanisms of drug resistance and compensation in SARS-CoV-2 main protease: the interplay between E166 and L50.
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