List of works - Irene T Weber

A novel bis-tetrahydrofuranylurethane-containing nonpeptidic protease inhibitor (PI), GRL-98065, is potent against multiple-PI-resistant human immunodeficiency virus in vitro

scientific article published on 19 March 2007

Amino acid preferences of retroviral proteases for amino-terminal positions in a type 1 cleavage site.

scientific article published on 13 August 2008

Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters

scientific article

Analysis of drug resistance in HIV protease

article

Analysis of protein structures reveals regions of rare backbone conformation at functional sites.

scientific article published in December 2003

Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir

scientific article

Atomic-resolution structure of an N5 flavin adduct in D-arginine dehydrogenase

scientific article

Autocatalytic maturation, physical/chemical properties, and crystal structure of group N HIV-1 protease: Relevance to drug resistance

scientific article

Automated prediction of HIV drug resistance from genotype data

scientific article

Binding of Clinical Inhibitors to a Model Precursor of a Rationally Selected Multidrug Resistant HIV-1 Protease Is Significantly Weaker Than That to the Released Mature Enzyme

scientific article published on 04 April 2016

Bis-tetrahydrofuran: a privileged ligand for darunavir and a new generation of hiv protease inhibitors that combat drug resistance

scientific article published on September 2006

Bovine leukemia virus protease: comparison with human T-lymphotropic virus and human immunodeficiency virus proteases

scientific article

C-terminal residues of mature human T-lymphotropic virus type 1 protease are critical for dimerization and catalytic activity

scientific article published on December 2008

Can we design drugs for HIV/AIDS that are less susceptible to resistance?

scientific article

Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease

scientific article

Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling

scientific article

Caspases: structure-guided design of drugs to control cell death

scientific article

Caught in the Act: The 1.5 Å Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate †

scientific article

Characterization of the murine leukemia virus protease and its comparison with the human immunodeficiency virus type 1 protease

scientific article published on May 2006

Close pairs of carboxylates: a possibility of multicenter hydrogen bonds in proteins

scientific article published on 01 March 2003

Combining mutations in HIV-1 protease to understand mechanisms of resistance

scientific article

Conformational changes and substrate recognition in Pseudomonas aeruginosa D-arginine dehydrogenase

scientific article

Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7

scientific article

Conformational variation of an extreme drug resistant mutant of HIV protease

scientific article

Covalent reaction intermediate revealed in crystal structure of the Geobacillus stearothermophilus carboxylesterase Est30.

scientific article

Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors

scientific article

Crystal Structure of the Geobacillus stearothermophilus Carboxylesterase Est55 and Its Activation of Prodrug CPT-11

scientific article

Crystal structures of HIV protease V82A and L90M mutants reveal changes in the indinavir-binding site

scientific article published in April 2004

Crystal structures of Tcl1 family oncoproteins and their conserved surface features.

scientific article

Crystallization and preliminary X-ray diffraction data for the carboxylesterase Est30 from Bacillus stearothermophilus

scientific article

Decoding HIV resistance: from genotype to therapy

scientific article published on 09 August 2017

Defining the DNA substrate binding sites on HIV-1 integrase

scientific article published on 7 November 2008

Design and Development of Highly Potent HIV-1 Protease Inhibitors with a Crown-Like Oxotricyclic Core as the P2-Ligand To Combat Multidrug-Resistant HIV Variants.

scientific article published on 18 April 2017

Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis.

scientific article published on 15 May 2018

Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies

article

Design of HIV protease inhibitors targeting protein backbone: an effective strategy for combating drug resistance

scientific article published on 28 August 2007

Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies

scientific article published on 25 August 2015

Design of HIV-1 Protease Inhibitors with C3-Substituted Hexahydrocyclopentafuranyl Urethanes as P2-Ligands: Synthesis, Biological Evaluation, and Protein–Ligand X-ray Crystal Structure

scientific article

Design of HIV-1 Protease Inhibitors with Pyrrolidinones and Oxazolidinones as Novel P1′-Ligands To Enhance Backbone-Binding Interactions with Protease: Synthesis, Biological Evaluation, and Protein−Ligand X-ray Studies ∞

scientific article

Design of Highly Potent, Dual Acting and Central Nervous System Penetrating HIV-1 Protease Inhibitors with Excellent Potency against Multidrug-Resistant HIV-1 Variants.

scientific article published on 13 February 2018

Design of gem-difluoro-bis-tetrahydrofuran as P2 ligand for HIV-1 protease inhibitors to improve brain penetration: synthesis, X-ray studies, and biological evaluation

scientific article published on 21 October 2014

Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex

scientific article published on 9 April 2017

Design of substituted bis-Tetrahydrofuran (bis-THF)-derived Potent HIV-1 Protease Inhibitors, Protein-ligand X-ray Structure, and Convenient Syntheses of bis-THF and Substituted bis-THF Ligands

scientific article published in April 2011

Design, Synthesis, Biological Evaluation, and X-ray Studies of HIV-1 Protease Inhibitors with Modified P2' Ligands of Darunavir

scientific article published on 6 November 2017

Design, Synthesis, Protein−Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance

scientific article

Design, Synthesis, and X-ray Studies of Potent HIV-1 Protease Inhibitors with P2-Carboxamide Functionalities

scientific article published on 03 March 2020

Design, synthesis, X-ray studies, and biological evaluation of novel macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands.

scientific article published on 6 September 2017

Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands

article

Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands.

scientific article

Development of a microtiter plate fluorescent assay for inhibition studies on the HTLV-1 and HIV-1 proteinases

scientific article

Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease

article

Drug targets in human T-lymphotropic virus type 1 (HTLV-1) infection

scientific article published on April 2009

Effect of Flap Mutations on Structure of HIV-1 Protease and Inhibition by Saquinavir and Darunavir

scientific article

Effect of sequence polymorphism and drug resistance on two HIV-1 Gag processing sites.

scientific article published in August 2002

Effect of the Active Site D25N Mutation on the Structure, Stability, and Ligand Binding of the Mature HIV-1 Protease

scientific article

Effectiveness of nonpeptide clinical inhibitor TMC-114 on HIV-1 protease with highly drug resistant mutations D30N, I50V, and L90M.

scientific article

Enhancing protein backbone binding--a fruitful concept for combating drug-resistant HIV.

scientific article published on 31 January 2012

Evolution of drug resistance in HIV protease

scientific article published on 30 December 2020

Extreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1′-Pyrrolidinone or P2-Tris-tetrahydrofuran

scientific article

Flexible Cyclic Ethers/Polyethers as Novel P2-Ligands for HIV-1 Protease Inhibitors: Design, Synthesis, Biological Evaluation, and Protein−Ligand X-ray Studies †

scientific article

Geometric criteria of hydrogen bonds in proteins and identification of "bifurcated" hydrogen bonds

scientific article published on 01 May 2002

HIV-1 Protease with 20 Mutations Exhibits Extreme Resistance to Clinical Inhibitors through Coordinated Structural Rearrangements

scientific article

HIV-1 Protease: Structural Perspectives on Drug Resistance

scientific article

HIV-1 protease: structure, dynamics, and inhibition

scientific article published on January 2007

High resolution crystal structures of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) active against multi-drug-resistant clinical strains

scientific article published in April 2004

Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues.

scientific article published on 17 May 2019

Highly Potent HIV-1 Protease Inhibitors with Novel Tricyclic P2 Ligands: Design, Synthesis, and Protein–Ligand X-ray Studies

scientific article

Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease

scientific article

Highly drug-resistant HIV-1 protease reveals decreased intra-subunit interactions due to clusters of mutations

scientific article published on 09 January 2020

Highly resistant HIV-1 proteases and strategies for their inhibition.

scientific article published in June 2015

Identification of Protein Folding Cores Using Charge Center Model of Protein Structure.

scientific article

Identification of amino acids in HIV-1 and avian sarcoma virus integrase subsites required for specific recognition of the long terminal repeat Ends

scientific article published on 18 November 2005

Identifying representative drug resistant mutants of HIV.

scientific article published on 7 December 2015

In vitro heme biotransformation by the HupZ enzyme from Group A streptococcus

scientific article

Inhibition of autoprocessing of natural variants and multidrug resistant mutant precursors of HIV-1 protease by clinical inhibitors

scientific article

Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design

scientific article

Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S.

scientific article

Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site

scientific article published on 09 March 2016

Machine learning methods accurately predict host specificity of coronaviruses based on spike sequences alone

scientific article published on 18 September 2020

Mechanism of drug resistance revealed by the crystal structure of the unliganded HIV-1 protease with F53L mutation

scientific article published on 20 March 2006

Molecular basis for differential nucleotide binding of the nucleotide-binding domain of ABC-transporter CvaB.

scientific article published on December 2006

Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.

scientific article

Molecular dynamics simulations of 14 HIV protease mutants in complexes with indinavir

scientific article published on 28 September 2004

Narrow substrate specificity and sensitivity toward ligand-binding site mutations of human T-cell Leukemia virus type 1 protease

scientific article published on 20 April 2004

Novel P2 Tris-tetrahydrofuran Group in Antiviral Compound 1 (GRL-0519) Fills the S2 Binding Pocket of Selected Mutants of HIV-1 Protease

scientific article

Novel bis-tetrahydrofuranylurethane-containing nonpeptidic protease inhibitor (PI) UIC-94017 (TMC114) with potent activity against multi-PI-resistant human immunodeficiency virus in vitro.

scientific article

Novel complex MAD phasing and RNase H structural insights using selenium oligonucleotides

scientific article

Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis

scientific article

Potent Antiviral HIV-1 Protease Inhibitor GRL-02031 Adapts to the Structures of Drug Resistant Mutants with Its P1′-Pyrrolidinone Ring

scientific article

Potent HIV-1 Protease Inhibitors Containing Carboxylic and Boronic Acids: Effect on Enzyme Inhibition and Antiviral Activity and Protein-Ligand X-ray Structural Studies

scientific article published on 04 October 2019

Potent HIV-1 protease inhibitors incorporating meso-bicyclic urethanes as P2-ligands: structure-based design, synthesis, biological evaluation and protein–ligand X-ray studies

scientific article

Potent New Antiviral Compound Shows Similar Inhibition and Structural Interactions with Drug Resistant Mutants and Wild Type HIV-1 Protease †

scientific article

Potent antiviral HIV-1 protease inhibitor combats highly drug resistant mutant PR20

scientific article published on 29 August 2019

Prediction of HIV drug resistance from genotype with encoded three-dimensional protein structure

scientific article

Probing Lipophilic Adamantyl Group as the P1-Ligand for HIV-1 Protease Inhibitors: Design, Synthesis, Protein X-ray Structural Studies, and Biological Evaluation

scientific article

Probing Multidrug-Resistance and Protein-Ligand Interactions with Oxatricyclic Designed Ligands in HIV-1 Protease Inhibitors

scientific article

Proton transfer and drug binding details revealed in neutron diffraction studies of wild-type and drug resistant HIV-1 protease

scientific article published on 10 January 2020

Reaction intermediates discovered in crystal structures of enzymes

scientific article published on January 2012

Role of valine 464 in the flavin oxidation reaction catalyzed by choline oxidase

scientific article

Room Temperature Neutron Crystallography of Drug Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100 K.

scientific article published on 14 February 2017

Solution kinetics measurements suggest HIV-1 protease has two binding sites for darunavir and amprenavir

scientific article

Sparse Representation for Prediction of HIV-1 Protease Drug Resistance

scientific article

Steric hindrance controls pyridine nucleotide specificity of a flavin-dependent NADH:quinone oxidoreductase

scientific article published on 31 October 2018

Structural Evidence for Effectiveness of Darunavir and Two Related Antiviral Inhibitors against HIV-2 Protease

scientific article

Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics

scientific article

Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition

scientific article (publication date: 14 July 2006)

Structural and kinetic studies on the Ser101Ala variant of choline oxidase: catalysis by compromise

scientific article

Structural basis for a hand-like site in the calcium sensor CatchER with fast kinetics

scientific article

Structural basis for executioner caspase recognition of P5 position in substrates

scientific article

Structural studies of antiviral inhibitor with HIV-1 protease bearing drug resistant substitutions of V32I, I47V and V82I

scientific article published on 12 May 2019

Structure based drug design for HIV protease: from molecular modeling to cheminformatics

scientific article

Structure of choline oxidase in complex with the reaction product glycine betaine

scientific article

Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies

scientific article published on 29 April 2020

Structure-based design of novel HIV-1 protease inhibitors to combat drug resistance

scientific article published on August 2006

Structure-based design of potent HIV-1 protease inhibitors with modified P1-biphenyl ligands: synthesis, biological evaluation, and enzyme-inhibitor X-ray structural studies

scientific article published on 24 June 2015

Structure-based design, synthesis, X-ray studies, and biological evaluation of novel HIV-1 protease inhibitors containing isophthalamide-derived P2-ligands

scientific article

Structures of Darunavir-Resistant HIV-1 Protease Mutant Reveal Atypical Binding of Darunavir to Wide Open Flaps

scientific article

Substituent effects on P2-cyclopentyltetrahydrofuranyl urethanes: Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors

scientific article

Substituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20

scientific article published on 4 June 2015

Tackling the problem of HIV drug resistance

scientific article published on January 2016

Terminal Interface Conformations Modulate Dimer Stability Prior to Amino Terminal Autoprocessing of HIV-1 Protease

scientific article

The Combined Structural and Kinetic Characterization of a Bacterial Nitronate Monooxygenase from Pseudomonas aeruginosa PAO1 Establishes NMO Class I and II

scientific article

The L76V Drug Resistance Mutation Decreases the Dimer Stability and Rate of Autoprocessing of HIV-1 Protease by Reducing Internal Hydrophobic Contacts

scientific article

The protease of human T-cell leukemia virus type-1 is a potential therapeutic target.

scientific article published on January 2007

Ultra-high resolution crystal structure of HIV-1 protease mutant reveals two binding sites for clinical inhibitor TMC114

scientific article published on 4 August 2006

List of works by Irene T Weber

A novel bis-tetrahydrofuranylurethane-containing nonpeptidic protease inhibitor (PI), GRL-98065, is potent against multiple-PI-resistant human immunodeficiency virus in vitro

Amino acid preferences of retroviral proteases for amino-terminal positions in a type 1 cleavage site.

Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters

Analysis of drug resistance in HIV protease

Analysis of protein structures reveals regions of rare backbone conformation at functional sites.

Atomic resolution crystal structures of HIV-1 protease and mutants V82A and I84V with saquinavir

Atomic-resolution structure of an N5 flavin adduct in D-arginine dehydrogenase

Autocatalytic maturation, physical/chemical properties, and crystal structure of group N HIV-1 protease: Relevance to drug resistance

Automated prediction of HIV drug resistance from genotype data

Binding of Clinical Inhibitors to a Model Precursor of a Rationally Selected Multidrug Resistant HIV-1 Protease Is Significantly Weaker Than That to the Released Mature Enzyme

Bis-tetrahydrofuran: a privileged ligand for darunavir and a new generation of hiv protease inhibitors that combat drug resistance

Bovine leukemia virus protease: comparison with human T-lymphotropic virus and human immunodeficiency virus proteases

C-terminal residues of mature human T-lymphotropic virus type 1 protease are critical for dimerization and catalytic activity

Can we design drugs for HIV/AIDS that are less susceptible to resistance?

Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease

Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling

Caspases: structure-guided design of drugs to control cell death

Caught in the Act: The 1.5 Å Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate †

Characterization of the murine leukemia virus protease and its comparison with the human immunodeficiency virus type 1 protease

Close pairs of carboxylates: a possibility of multicenter hydrogen bonds in proteins

Combining mutations in HIV-1 protease to understand mechanisms of resistance

Conformational changes and substrate recognition in Pseudomonas aeruginosa D-arginine dehydrogenase

Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7

Conformational variation of an extreme drug resistant mutant of HIV protease

Covalent reaction intermediate revealed in crystal structure of the Geobacillus stearothermophilus carboxylesterase Est30.

Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors

Crystal Structure of the Geobacillus stearothermophilus Carboxylesterase Est55 and Its Activation of Prodrug CPT-11

Crystal structures of HIV protease V82A and L90M mutants reveal changes in the indinavir-binding site

Crystal structures of Tcl1 family oncoproteins and their conserved surface features.

Crystallization and preliminary X-ray diffraction data for the carboxylesterase Est30 from Bacillus stearothermophilus

Decoding HIV resistance: from genotype to therapy

Defining the DNA substrate binding sites on HIV-1 integrase

Design and Development of Highly Potent HIV-1 Protease Inhibitors with a Crown-Like Oxotricyclic Core as the P2-Ligand To Combat Multidrug-Resistant HIV Variants.

Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis.

Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies

Design of HIV protease inhibitors targeting protein backbone: an effective strategy for combating drug resistance

Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies

Design of HIV-1 Protease Inhibitors with C3-Substituted Hexahydrocyclopentafuranyl Urethanes as P2-Ligands: Synthesis, Biological Evaluation, and Protein–Ligand X-ray Crystal Structure

Design of HIV-1 Protease Inhibitors with Pyrrolidinones and Oxazolidinones as Novel P1′-Ligands To Enhance Backbone-Binding Interactions with Protease: Synthesis, Biological Evaluation, and Protein−Ligand X-ray Studies ∞

Design of Highly Potent, Dual Acting and Central Nervous System Penetrating HIV-1 Protease Inhibitors with Excellent Potency against Multidrug-Resistant HIV-1 Variants.

Design of gem-difluoro-bis-tetrahydrofuran as P2 ligand for HIV-1 protease inhibitors to improve brain penetration: synthesis, X-ray studies, and biological evaluation

Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex

Design of substituted bis-Tetrahydrofuran (bis-THF)-derived Potent HIV-1 Protease Inhibitors, Protein-ligand X-ray Structure, and Convenient Syntheses of bis-THF and Substituted bis-THF Ligands

Design, Synthesis, Biological Evaluation, and X-ray Studies of HIV-1 Protease Inhibitors with Modified P2' Ligands of Darunavir

Design, Synthesis, Protein−Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance

Design, Synthesis, and X-ray Studies of Potent HIV-1 Protease Inhibitors with P2-Carboxamide Functionalities

Design, synthesis, X-ray studies, and biological evaluation of novel macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands.

Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands

Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands.

Development of a microtiter plate fluorescent assay for inhibition studies on the HTLV-1 and HIV-1 proteinases

Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease

Drug targets in human T-lymphotropic virus type 1 (HTLV-1) infection

Effect of Flap Mutations on Structure of HIV-1 Protease and Inhibition by Saquinavir and Darunavir

Effect of sequence polymorphism and drug resistance on two HIV-1 Gag processing sites.

Effect of the Active Site D25N Mutation on the Structure, Stability, and Ligand Binding of the Mature HIV-1 Protease

Effectiveness of nonpeptide clinical inhibitor TMC-114 on HIV-1 protease with highly drug resistant mutations D30N, I50V, and L90M.

Enhancing protein backbone binding--a fruitful concept for combating drug-resistant HIV.

Evolution of drug resistance in HIV protease

Extreme Multidrug Resistant HIV-1 Protease with 20 Mutations Is Resistant to Novel Protease Inhibitors with P1′-Pyrrolidinone or P2-Tris-tetrahydrofuran

Flexible Cyclic Ethers/Polyethers as Novel P2-Ligands for HIV-1 Protease Inhibitors: Design, Synthesis, Biological Evaluation, and Protein−Ligand X-ray Studies †

Geometric criteria of hydrogen bonds in proteins and identification of "bifurcated" hydrogen bonds

HIV-1 Protease with 20 Mutations Exhibits Extreme Resistance to Clinical Inhibitors through Coordinated Structural Rearrangements

HIV-1 Protease: Structural Perspectives on Drug Resistance

HIV-1 protease: structure, dynamics, and inhibition

High resolution crystal structures of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017) active against multi-drug-resistant clinical strains

Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues.

Highly Potent HIV-1 Protease Inhibitors with Novel Tricyclic P2 Ligands: Design, Synthesis, and Protein–Ligand X-ray Studies

Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease

Highly drug-resistant HIV-1 protease reveals decreased intra-subunit interactions due to clusters of mutations

Highly resistant HIV-1 proteases and strategies for their inhibition.

Identification of Protein Folding Cores Using Charge Center Model of Protein Structure.

Identification of amino acids in HIV-1 and avian sarcoma virus integrase subsites required for specific recognition of the long terminal repeat Ends

Identifying representative drug resistant mutants of HIV.

In vitro heme biotransformation by the HupZ enzyme from Group A streptococcus

Inhibition of autoprocessing of natural variants and multidrug resistant mutant precursors of HIV-1 protease by clinical inhibitors

Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design

Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S.

Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site

Machine learning methods accurately predict host specificity of coronaviruses based on spike sequences alone