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Academic Article
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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.
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Academic Article
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Discovery and selection of TMC114, a next generation HIV-1 protease inhibitor.
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Academic Article
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Design of HIV-1 protease inhibitors active on multidrug-resistant virus.
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Academic Article
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How does a symmetric dimer recognize an asymmetric substrate? A substrate complex of HIV-1 protease.
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Academic Article
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Competition between Ski and CREB-binding protein for binding to Smad proteins in transforming growth factor-beta signaling.
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Academic Article
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Evaluation of the substrate envelope hypothesis for inhibitors of HIV-1 protease.
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Academic Article
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Insights into interferon regulatory factor activation from the crystal structure of dimeric IRF5.
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Academic Article
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Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
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Academic Article
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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.
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Academic Article
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The effect of clade-specific sequence polymorphisms on HIV-1 protease activity and inhibitor resistance pathways.
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Academic Article
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Structure-based design, synthesis, and structure-activity relationship studies of HIV-1 protease inhibitors incorporating phenyloxazolidinones.
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Academic Article
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Dynamics of preferential substrate recognition in HIV-1 protease: redefining the substrate envelope.
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Academic Article
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Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes.
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Academic Article
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First-in-class small molecule inhibitors of the single-strand DNA cytosine deaminase APOBEC3G.
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Academic Article
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Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
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Academic Article
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Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance.
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Academic Article
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Extreme entropy-enthalpy compensation in a drug-resistant variant of HIV-1 protease.
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Academic Article
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Promise of advances in simulation methods for protein crystallography: implicit solvent models, time-averaging refinement, and quantum mechanical modeling.
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Academic Article
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Simultaneous refinement of the structure of BPTI against NMR data measured in solution and X-ray diffraction data measured in single crystals.
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Academic Article
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Accounting for molecular mobility in structure determination based on nuclear magnetic resonance spectroscopic and X-ray diffraction data.
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Academic Article
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Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate.
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Academic Article
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Substrate specificity in HIV-1 protease by a biased sequence search method.
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Academic Article
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Discovery of HIV-1 protease inhibitors with picomolar affinities incorporating N-aryl-oxazolidinone-5-carboxamides as novel P2 ligands.
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Academic Article
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Crystal structure of lysine sulfonamide inhibitor reveals the displacement of the conserved flap water molecule in human immunodeficiency virus type 1 protease.
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Academic Article
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Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease.
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Academic Article
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HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
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Academic Article
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Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance.
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Academic Article
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Rationale for more diverse inhibitors in competition with substrates in HIV-1 protease.
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Academic Article
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Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
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Academic Article
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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.
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Academic Article
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Decomposing the energetic impact of drug-resistant mutations: the example of HIV-1 protease-DRV binding.
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Academic Article
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Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
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Academic Article
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Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
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Academic Article
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Crystal structure of the DNA cytosine deaminase APOBEC3F: the catalytically active and HIV-1 Vif-binding domain.
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Concept
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Crystallography, X-Ray
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Academic Article
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Testing the substrate-envelope hypothesis with designed pairs of compounds.
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Academic Article
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Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design.
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Academic Article
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HIV-1 protease-substrate coevolution in nelfinavir resistance.
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Academic Article
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Structural basis and distal effects of Gag substrate coevolution in drug resistance to HIV-1 protease.
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Academic Article
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The ssDNA Mutator APOBEC3A Is Regulated by Cooperative Dimerization.
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Academic Article
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Structure-guided design of a high affinity inhibitor to human CtBP.
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Academic Article
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REdiii: a pipeline for automated structure solution.
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Academic Article
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Structural basis for mutation-induced destabilization of profilin 1 in ALS.
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Academic Article
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Structural and molecular analysis of a protective epitope of Lyme disease antigen OspA and antibody interactions.
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Academic Article
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Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
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Academic Article
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Structural Determination of the Broadly Reactive Anti-IGHV1-69 Anti-idiotypic Antibody G6 and Its Idiotope.
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Academic Article
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Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.
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Academic Article
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Molecular Mechanism of Resistance in a Clinically Significant Double-Mutant Variant of HCV NS3/4A Protease.
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Academic Article
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Assembly of human C-terminal binding protein (CtBP) into tetramers.
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Academic Article
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Crystal structure of the catalytic domain of HIV-1 restriction factor APOBEC3G in complex with ssDNA.
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Academic Article
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Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
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Academic Article
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HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
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Academic Article
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Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance.
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Academic Article
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Molecular and Structural Mechanism of Pan-Genotypic HCV NS3/4A Protease Inhibition by Glecaprevir.
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Academic Article
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Optimizing the refinement of merohedrally twinned P61 HIV-1 protease-inhibitor cocrystal structures.
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Academic Article
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Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
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Academic Article
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Crystal Structure of a Soluble APOBEC3G Variant Suggests ssDNA to Bind in a Channel that Extends between the Two Domains.
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Academic Article
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Crystal Structure of SARS-CoV-2 Main Protease in Complex with the Non-Covalent Inhibitor ML188.
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Academic Article
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Structural basis of substrate specificity in human cytidine deaminase family APOBEC3s.
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Academic Article
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Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants.
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Academic Article
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Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode.
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Academic Article
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HIV-1 protease inhibitors with a P1 phosphonate modification maintain potency against drug-resistant variants by increased interactions with flap residues.
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Academic Article
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Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
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Academic Article
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Elucidating the Substrate Envelope of Enterovirus 68-3C Protease: Structural Basis of Specificity and Potential Resistance.
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