Conference Agenda

Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).

Please note that all times are shown in the time zone of the conference. The current conference time is: 26th Nov 2022, 01:54:17pm CET

Session Overview
MS-25: Structural biology against coronavirus/covid-1
Monday, 16/Aug/2021:
2:45pm - 5:10pm

Session Chair: Sarah EJ Bowman
Session Chair: Lu Zhang
Session Chair: Gianluca Santoni
Location: Club A

170 1st floor

Invited: Xuhui Huang (China)

Session Abstract

This session covers the efforts of the crystallographic community to find drug candidates for COVID-19 both in-silico and in the lab by using structural models of viral proteins.

For all abstracts of the session as prepared for Acta Crystallographica see PDF in Introduction, or individual abstracts below.

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2:45pm - 2:50pm

Introduction to session

Sarah Bowman, Lu Zhang, Gianluca Santoni

2:50pm - 3:20pm

Millisecond Functional Dynamics of RNA Polymerases Elucidated by Markov State Models

Xuhui Huang

The Hong Kong University of Science and Technology, Kowloon, Hong Kong S.A.R. (China)

3:20pm - 3:40pm

Co-crystallization of hepatitis C virus NS3/4A inhibitors and SARS-CoV-2 main protease using high density acoustic droplet ejection (ADE)

Babak Andi1,3, Dale F. Kreitler1, Desigan Kumaran2,3, Alexei S. Soares1, Jantana Keereetaweep2, Jean Jakoncic1, Wuxian Shi1, Martin R. Fuchs1, John Shanklin2, Sean McSweeney1,2,3

1Center for BioMolecular Structure, NSLS-II, Brookhaven National Laboratory, Upton, NY 11973-5000, United States; 2Biology Department, Brookhaven National Laboratory, Upton, NY 11973-5000, United States; 3National Virtual Biotechnology Laboratory (NVBL), US Department of Energy, Washington, DC, United States

3:40pm - 4:00pm

Structural basis of mRNA cap modification by SARS-CoV-2: Role of metal ions and implications for COVID-19 severity by emerging variants

Thiruselvam Viswanathan1, Anurag Misra1, Shailee Arya1, Siu-Hong Chan2, Shan Qi1, Nan Dai2, Luis Martinez-Sobrido3, Yogesh Gupta1

1University of Texas Health at San Antonio, San Antonio, USA; 2New England Biolabs, Ipswich, USA; 3Texas Biomedical Research Institute, San Antonio, USA

4:00pm - 4:20pm

Crystallographic fragment screening of SARS-CoV-2 drug discovery targets

Daren Fearon1,2, Alice Douangamath1,2, Ailsa Powell1,2, Alex Dias1,2, Anthony Aimon1,2, Jose Brandao-Neto1,2, Louise Dunnett1,2, Rachael Skyner1,2, Tyler Gorrie-Stone1,2, Warren Thompson1,2, Frank von Delft1,2,3,4

1Diamond Light Source Ltd, Didcot, United Kingdom; 2Research Complex at Harwell, Harwell Science and Innovation Campus, Didcot, OX11 0FA, UK; 3Centre for Medicines Discovery, University of Oxford, Old Road Campus, Roosevelt Drive, Headington, OX3 7DQ, UK; 4Department of Biochemistry, University of Johannesburg, Auckland Park, 2006, South Africa

4:20pm - 4:40pm

A structure-guided, taxonomic-based approach to the design of broad-spectrum coronavirus protease inhibitors

Andrew D Mesecar, Sarah E St. John, Emma K Lendy, Brandon J Anson, Mackenzie E Chapman, Arun K Ghosh

Purdue University, W Lafayette, United States of America

4:40pm - 5:00pm

Structure of SARS-CoV-2 papain-like protease PLpro reveals a framework for antiviral inhibitor design

Vasundara Srinivasan1, Nadine Werner1, Sven Falke1, Hevilla Brognaro1, Sebastian Guenther2, Patrick Reinke2, Atia-tul- Wahab3, Iqbal Choudhary3, Alke Meents2, Christian Betzel1,4

1Universit├Ąt Hamburg, Department of Chemistry, Institute of Biochemistry and Molecular Biology and Laboratory for Structural Biology of Infection and Inflammation, c/o DESY, 22607 Hamburg, Germany.; 2Center for Free-Electron Laser Science, DESY, Notkestrasse 85, 22607 Hamburg, Germany.; 3Dr. Panjwani Center for Molecular Medicine and Drug Research International Center for Chemical and Biological Sciences (ICCBS), University of Karachi, Karachi-75270, Pakistan.; 4Hamburg Centre for Ultrafast Imaging (CUI), Universit├Ąt Hamburg, Luruper Chaussee 149, 22761, Hamburg, Germany.

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