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Search Results to Celia A Schiffer PhD

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One or more keywords matched the following items that are connected to Schiffer, Celia

Item TypeName
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 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 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 Insights into interferon regulatory factor activation from the crystal structure of dimeric IRF5.
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 Dynamics of preferential substrate recognition in HIV-1 protease: redefining the substrate envelope.
Academic Article Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes.
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 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 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 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 Discovery of HIV-1 protease inhibitors with picomolar affinities incorporating N-aryl-oxazolidinone-5-carboxamides as novel P2 ligands.
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 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 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 Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
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 Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
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.
Concept Crystallography, X-Ray
Academic Article Testing the substrate-envelope hypothesis with designed pairs of compounds.
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 Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease.
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 Structural basis for mutation-induced destabilization of profilin 1 in ALS.

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  • Crystallography X Ray