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Advantages of crystallographic fragment screening: Functional and mechanistic insights from a powerful platform for efficient drug discovery

Progress in biophysics and molecular biology, 2014-11, Vol.116 (2-3), p.92-100

2014

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High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations

Proceedings of the National Academy of Sciences - PNAS, 2008-02, Vol.105 (5), p.1466-1471

2008

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Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase

Nature chemistry, 2013-03, Vol.5 (3), p.174-181

2013

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Targeting HIV-1 Reverse Transcriptase Using a Fragment-Based Approach

Molecules (Basel, Switzerland), 2023-03, Vol.28 (7), p.3103

2023

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Two-dimensional infrared spectra reveal relaxation of the nonnucleoside inhibitor TMC278 complexed with HIV-1 reverse transcriptase

Proceedings of the National Academy of Sciences - PNAS, 2008-02, Vol.105 (5), p.1472-1477

2008

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Structural basis of HIV-1 resistance to AZT by excision

Nature structural & molecular biology, 2010-10, Vol.17 (10), p.1202-1209

2010

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Crystallographic Fragment Screening and Structure-Based Optimization Yields a New Class of Influenza Endonuclease Inhibitors

ACS chemical biology, 2013-11, Vol.8 (11), p.2501-2508

2013

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Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT)

Viruses, 2021-07, Vol.13 (8), p.1495

2021

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Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening

Journal of medicinal chemistry, 2023-05, Vol.66 (9), p.6013-6024

2023

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Structure of the guanylyltransferase domain of human mRNA capping enzyme

Proceedings of the National Academy of Sciences - PNAS, 2011-06, Vol.108 (25), p.10104-10108

2011

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HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism

Nature structural & molecular biology, 2012-02, Vol.19 (2), p.253-259

2012

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Identification of Alternative Binding Sites for Inhibitors of HIV-1 Ribonuclease H Through Comparative Analysis of Virtual Enrichment Studies

Journal of chemical information and modeling, 2011-08, Vol.51 (8), p.1986-1998

2011

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Rapid experimental SAD phasing and hot-spot identification with halogenated fragments

IUCrJ, 2016-01, Vol.3 (Pt 1), p.51-60

2016

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A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants

Retrovirology, 2012-12, Vol.9 (1), p.99-99, Article 99

2012

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Integrative structural biology studies of HIV-1 reverse transcriptase binding to a high-affinity DNA aptamer

Current research in structural biology, 2020-01, Vol.2, p.116-129

2020

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Phenyl Substituted 4‑Hydroxypyridazin-3(2H)‑ones and 5‑Hydroxypyrimidin-4(3H)‑ones: Inhibitors of Influenza A Endonuclease

Journal of medicinal chemistry, 2014-10, Vol.57 (19), p.8086-8098

2014

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Structure of HIV‐1 reverse transcriptase/d4TTP complex: Novel DNA cross‐linking site and pH‐dependent conformational changes

Protein science, 2019-03, Vol.28 (3), p.587-597

2019

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Detecting Allosteric Sites of HIV‑1 Reverse Transcriptase by X‑ray Crystallographic Fragment Screening

Journal of medicinal chemistry, 2013-04, Vol.56 (7), p.2738-2746

2013

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Structure of HIV-1 Reverse Transcriptase with the Inhibitor β-Thujaplicinol Bound at the RNase H Active Site

Structure (London), 2009-12, Vol.17 (12), p.1625-1635

2009

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Crystal Structure of tert-Butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in Complex with HIV-1 Reverse Transcriptase (RT) Redefines the Elastic Limits of the Non-nucleoside Inhibitor-Binding Pocket

Journal of medicinal chemistry, 2011-04, Vol.54 (8), p.2727-2737

2011

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A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain

The Journal of biological chemistry, 2016-11, Vol.291 (45), p.23569-23577

2016

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Pokeweed antiviral protein binds to the cap structure of eukaryotic mRNA and depurinates the mRNA downstream of the cap

RNA (Cambridge), 2002-09, Vol.8 (9), p.1148-1159, Article S1355838202026638

2002

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Synthesis, Activity, and Structural Analysis of Novel α-Hydroxytropolone Inhibitors of Human Immunodeficiency Virus Reverse Transcriptase-Associated Ribonuclease H

Journal of medicinal chemistry, 2011-07, Vol.54 (13), p.4462-4473

2011

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Aryl and Arylalkyl Substituted 3‐Hydroxypyridin‐2(1H)‐ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease

ChemMedChem, 2019-06, Vol.14 (12), p.1204-1223

2019

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Phenyl substituted 3-hydroxypyridin-2(1H)-ones: Inhibitors of influenza A endonuclease

Bioorganic & medicinal chemistry, 2013-11, Vol.21 (21), p.6435-6446

2013

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Advantages of crystallographic fragment screening: Functional and mechanistic insights from a powerful platform for efficient drug discovery

High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations

Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase

Targeting HIV-1 Reverse Transcriptase Using a Fragment-Based Approach

Two-dimensional infrared spectra reveal relaxation of the nonnucleoside inhibitor TMC278 complexed with HIV-1 reverse transcriptase

Structural basis of HIV-1 resistance to AZT by excision

Crystallographic Fragment Screening and Structure-Based Optimization Yields a New Class of Influenza Endonuclease Inhibitors

Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT)

Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening

Structure of the guanylyltransferase domain of human mRNA capping enzyme

HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism

Identification of Alternative Binding Sites for Inhibitors of HIV-1 Ribonuclease H Through Comparative Analysis of Virtual Enrichment Studies

Rapid experimental SAD phasing and hot-spot identification with halogenated fragments

A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants

Integrative structural biology studies of HIV-1 reverse transcriptase binding to a high-affinity DNA aptamer

Phenyl Substituted 4‑Hydroxypyridazin-3(2H)‑ones and 5‑Hydroxypyrimidin-4(3H)‑ones: Inhibitors of Influenza A Endonuclease

Structure of HIV‐1 reverse transcriptase/d4TTP complex: Novel DNA cross‐linking site and pH‐dependent conformational changes

Detecting Allosteric Sites of HIV‑1 Reverse Transcriptase by X‑ray Crystallographic Fragment Screening

Structure of HIV-1 Reverse Transcriptase with the Inhibitor β-Thujaplicinol Bound at the RNase H Active Site

Crystal Structure of tert-Butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in Complex with HIV-1 Reverse Transcriptase (RT) Redefines the Elastic Limits of the Non-nucleoside Inhibitor-Binding Pocket

A New Class of Allosteric HIV-1 Integrase Inhibitors Identified by Crystallographic Fragment Screening of the Catalytic Core Domain

Pokeweed antiviral protein binds to the cap structure of eukaryotic mRNA and depurinates the mRNA downstream of the cap

Synthesis, Activity, and Structural Analysis of Novel α-Hydroxytropolone Inhibitors of Human Immunodeficiency Virus Reverse Transcriptase-Associated Ribonuclease H

Aryl and Arylalkyl Substituted 3‐Hydroxypyridin‐2(1H)‐ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease

Phenyl substituted 3-hydroxypyridin-2(1H)-ones: Inhibitors of influenza A endonuclease

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