Crystal Structure of SARS-CoV-2 Main Protease in Complex with the Non-Covalent Inhibitor ML188
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Title
Crystal Structure of SARS-CoV-2 Main Protease in Complex with the Non-Covalent Inhibitor ML188
Authors
Keywords
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Journal
Viruses-Basel
Volume 13, Issue 2, Pages 174
Publisher
MDPI AG
Online
2021-01-26
DOI
10.3390/v13020174
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Note: Only part of the references are listed.- Genomic characterisation and epidemiology of 2019 novel coronavirus: implications for virus origins and receptor binding
- (2020) Roujian Lu et al. LANCET
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- (2020) Fan Wu et al. NATURE
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- (2020) Wei-jie Guan et al. NEW ENGLAND JOURNAL OF MEDICINE
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- Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design
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- (2020) Linlin Zhang et al. SCIENCE
- Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease
- (2020) Hao Wang et al. ACS Catalysis
- Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19
- (2020) Robert L. Hoffman et al. JOURNAL OF MEDICINAL CHEMISTRY
- Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
- (2020) Alice Douangamath et al. Nature Communications
- pM to µM – Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance
- (2019) Mina Henes et al. ACS Chemical Biology
- Target-Specific Prediction of Ligand Affinity with Structure-Based Interaction Fingerprints
- (2019) Florian Leidner et al. Journal of Chemical Information and Modeling
- Characterizing Protein–Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease
- (2019) Troy W. Whitfield et al. Journal of Chemical Theory and Computation
- Elucidating the Interdependence of Drug Resistance from Combinations of Mutations
- (2017) Debra A. Ragland et al. Journal of Chemical Theory and Computation
- Coronaviruses — drug discovery and therapeutic options
- (2016) Alimuddin Zumla et al. NATURE REVIEWS DRUG DISCOVERY
- Epidemiology, Genetic Recombination, and Pathogenesis of Coronaviruses
- (2016) Shuo Su et al. TRENDS IN MICROBIOLOGY
- X-Ray Structure and Inhibition of 3C-like Protease from Porcine Epidemic Diarrhea Virus
- (2016) Sarah E. St. John et al. Scientific Reports
- OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
- (2015) Edward Harder et al. Journal of Chemical Theory and Computation
- Drug Resistance Conferred by Mutations Outside the Active Site through Alterations in the Dynamic and Structural Ensemble of HIV-1 Protease
- (2014) Debra A. Ragland et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Discovery, Synthesis, And Structure-Based Optimization of a Series of N-(tert-Butyl)-2-(N-arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease
- (2012) Jon Jacobs et al. JOURNAL OF MEDICINAL CHEMISTRY
- Isolation of a Novel Coronavirus from a Man with Pneumonia in Saudi Arabia
- (2012) Ali M. Zaki et al. NEW ENGLAND JOURNAL OF MEDICINE
- PHENIX: a comprehensive Python-based system for macromolecular structure solution
- (2010) Paul D. Adams et al. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
- Evaluating the Substrate-Envelope Hypothesis: Structural Analysis of Novel HIV-1 Protease Inhibitors Designed To Be Robust against Drug Resistance
- (2010) M. N. L. Nalam et al. JOURNAL OF VIROLOGY
- electronic Ligand Builder and Optimization Workbench(eLBOW): a tool for ligand coordinate and restraint generation
- (2009) Nigel W. Moriarty et al. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
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