Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro

(2020) Manli Wang et al.   CELL RESEARCH

A new coronavirus associated with human respiratory disease in China

(2020) Fan Wu et al.   NATURE

A pneumonia outbreak associated with a new coronavirus of probable bat origin

(2020) Peng Zhou et al.   NATURE

A Novel Coronavirus from Patients with Pneumonia in China, 2019

(2020) Na Zhu et al.   NEW ENGLAND JOURNAL OF MEDICINE

Early Transmission Dynamics in Wuhan, China, of Novel Coronavirus–Infected Pneumonia

(2020) Qun Li et al.   NEW ENGLAND JOURNAL OF MEDICINE

The crystal structure of main protease from mouse hepatitis virus A59 in complex with an inhibitor

(2019) Wen Cui et al.   BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS

Next-Generation Phenotypic Screening in Early Drug Discovery for Infectious Diseases

(2019) Nathalie Aulner et al.   TRENDS IN PARASITOLOGY

CCP4i2: the new graphical user interface to the CCP4 program suite

(2018) Liz Potterton et al.   Acta Crystallographica Section D-Structural Biology

Michael Acceptor-Based Peptidomimetic Inhibitor of Main Protease from Porcine Epidemic Diarrhea Virus

(2017) Fenghua Wang et al.   JOURNAL OF MEDICINAL CHEMISTRY

Safety and efficacy of ebselen for the prevention of noise-induced hearing loss: a randomised, double-blind, placebo-controlled, phase 2 trial

(2017) Jonathan Kil et al.   LANCET

An Overview of Severe Acute Respiratory Syndrome–Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy

(2016) Thanigaimalai Pillaiyar et al.   JOURNAL OF MEDICINAL CHEMISTRY

Identification of small-molecule inhibitors of Zika virus infection and induced neural cell death via a drug repurposing screen

(2016) Miao Xu et al.   NATURE MEDICINE

SARS and MERS: recent insights into emerging coronaviruses

(2016) Emmie de Wit et al.   NATURE REVIEWS MICROBIOLOGY

Effects of the potential lithium-mimetic, ebselen, on impulsivity and emotional processing

(2016) Charles Masaki et al.   PSYCHOPHARMACOLOGY

Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4—The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS)

(2015) Sarah E. St. John et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Crystal Structure of Feline Infectious Peritonitis Virus Main Protease in Complex with Synergetic Dual Inhibitors

(2015) Fenghua Wang et al.   JOURNAL OF VIROLOGY

Free energy landscape for the binding process of Huperzine A to acetylcholinesterase

(2013) Fang Bai et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The newly emerged SARS-Like coronavirus HCoV-EMC also has an “Achilles’ heel”: current effective inhibitor targeting a 3C-like protease

(2013) Zhilin Ren et al.   Protein & Cell

Towards automated crystallographic structure refinement withphenix.refine

(2012) Pavel V. Afonine et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening

(2011) Xiaofeng Liu et al.   Journal of Chemical Information and Modeling

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution

(2010) Jeremy R. Greenwood et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

xia2: an expert system for macromolecular crystallography data reduction

(2009) G. Winter   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Structural Basis of Inhibition Specificities of 3C and 3C-like Proteases by Zinc-coordinating and Peptidomimetic Compounds

(2009) Cheng-Chung Lee et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization

(2008) Cristiano R. W. Guimarães et al.   Journal of Chemical Information and Modeling

Structure of the Main Protease from a Global Infectious Human Coronavirus, HCoV-HKU1

(2008) Q. Zhao et al.   JOURNAL OF VIROLOGY