XXV General Assembly and Congress of the International Union of Crystallography - IUCr 2021

ID: 714 / PL-1: 1
Plenary and keynote
Invited lecture to session
Keywords: structural biology, data resources

The data universe of structural biology

Helen Berman^1,2

¹Rutgers University, United States of America; ²University of Southern California, United States of America

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=667

ID: 1013 / Bragg: 1
Plenary and keynote
Invited lecture to session
Keywords: structural immunology, antibodies, malaria, structure-guided immunogen design

Structure-guided design of next-generation malaria vaccine

Jean-Philippe Julien

The Hospital for Sick Children, Toronto, Canada

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=27

ID: 1003 / Bragg: 2
Plenary and keynote
Invited lecture to session
Keywords: SARS, entropy, fragments, X-ray crystallography

Targeting COVID-19 Viral Enzymes in an Evolving Landscape of Publishing and Peer Review

James Fraser

UCSF, San Francisco, United States of America

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=28

2:45pm - 2:50pm
ID: 1831 / MS-97: 1
Introduction
Oral/poster

Introduction to session

Jane Shelby Richardson, Nicholas Mark Pearce

2:50pm - 3:20pm
ID: 1348 / MS-97: 2
Biological and macromolecular crystallography
Invited lecture to session
MS: New methods to fight the pandemic
Keywords: macromolecular model building, SARS-CoV-2, molecular dynamics

"Enhanced peer review" - rebuilding early SARS-CoV-2 structures in ISOLDE

Tristan Ian Croll

University of Cambridge, Cambridge, United Kingdom

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=651

3:20pm - 3:50pm
ID: 1033 / MS-97: 3
Biological and macromolecular crystallography
Invited lecture to session
MS: New methods to fight the pandemic
Keywords: Protein Data Bank; PDB; worldwide Protein Data Bank; structure data quality; biocuration; validation; OneDep; structure biology; macromolecular structure

Improving the quality of 3D structure data in the Protein Data Bank with coordinate versioning supported by OneDep

Jasmine Y. Young

RCSB Protein Data Bank, Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey,Piscataway, United States of America

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=652

3:50pm - 4:15pm
ID: 1000 / MS-97: 4
Biological and macromolecular crystallography
Oral/poster
MS: New methods to fight the pandemic
Keywords: SARS-CoV-2, main protease, neutron crystallography, protonation states, drug design

Neutron crystallography for drug design targeting SARS-CoV-2 viral proteins

Andrey Kovalevsky, Daniel Kneller, Leighton Coates

Oak Ridge National Lab, Oak Ridge, United States of America

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=653

4:15pm - 4:40pm
ID: 1207 / MS-97: 5
Biological and macromolecular crystallography
Oral/poster
MS: New methods to fight the pandemic
Keywords: SARS-CoV-2, X-ray crystallography, multitemperature crystallography, protein structure, protein flexibility

The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M^pro)

Ali Ebrahim^1,2, Blake T. Riley², Desigan Kumaran³, Babak Andi^4,5, Martin R. Fuchs⁴, Sean McSweeney^4,5, Daniel A. Keedy^2,6,7

¹Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, England; ²Structural Biology Initiative, CUNY Advanced Science Research Center, New York, NY 10031; ³Biology Department, Brookhaven National Laboratory, Upton, NY 11973; ⁴National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, NY 11973; ⁵National Virtual Biotechnology Laboratory (NVBL), US Department of Energy, Washington, DC, United States; ⁶Department of Chemistry and Biochemistry, City College of New York, New York, NY 10031; ⁷Ph.D. Programs in Biochemistry, Biology, and Chemistry, The Graduate Center – City University of New York, New York, NY 10016

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=654

4:40pm - 5:05pm
ID: 1227 / MS-97: 6
Biological and macromolecular crystallography
Oral/poster
MS: Validation of cryoEM structures and maps, New methods to fight the pandemic
Keywords: cryo-EM; SARS-CoV-2; model validation; mutations

Validation of cryo-EM structures of SARS-CoV-2 and mapping genomic mutations

Agnel Praveen Joseph, Sony Malhotra, Martyn Winn

STFC, Scientific Computing Department, Harwell, Didcot, United Kingdom

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=655

ID: 1916 / PL-3: 1
Plenary and keynote
Invited lecture to session
Keywords: amyloid family, pathogenesis

The Expanding Amyloid Family: Structure, Stability, Function, and Pathogenesis

David Eisenberg

UCLA, Los Angeles, United States of America

External Resource: https://www.xray.cz/iucrv/vidp.asp?id=879

Date: Tuesday, 17/Aug/2021
2:50pm - 3:40pm	PL-1: How data have revealed the structural universe Location: Panorama Session Chair: John Richard Helliwell Helen Berman Video
	ID: 714 / PL-1: 1 Plenary and keynote Invited lecture to session Keywords: structural biology, data resources The data universe of structural biology Helen Berman^1,2 ¹Rutgers University, United States of America; ²University of Southern California, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=667
3:45pm - 4:40pm	Bragg: W.H. and W.L. Bragg Prize Location: Panorama Session Chair: Elena Boldyreva Prize - Lecture 1 - Lecture 2
	ID: 1013 / Bragg: 1 Plenary and keynote Invited lecture to session Keywords: structural immunology, antibodies, malaria, structure-guided immunogen design Structure-guided design of next-generation malaria vaccine Jean-Philippe Julien The Hospital for Sick Children, Toronto, Canada External Resource: https://www.xray.cz/iucrv/vidp.asp?id=27 ID: 1003 / Bragg: 2 Plenary and keynote Invited lecture to session Keywords: SARS, entropy, fragments, X-ray crystallography Targeting COVID-19 Viral Enzymes in an Evolving Landscape of Publishing and Peer Review James Fraser UCSF, San Francisco, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=28

Date: Saturday, 21/Aug/2021
2:45pm - 5:10pm	MS-97: New methods to fight the pandemic Location: Panorama Session Chair: Jane Shelby Richardson Session Chair: Nicholas Mark Pearce Invited: Jasmine Young (USA), Tristan Croll (UK) Introduction
	2:45pm - 2:50pm ID: 1831 / MS-97: 1 Introduction Oral/poster Introduction to session Jane Shelby Richardson, Nicholas Mark Pearce 2:50pm - 3:20pm ID: 1348 / MS-97: 2 Biological and macromolecular crystallography Invited lecture to session MS: New methods to fight the pandemic Keywords: macromolecular model building, SARS-CoV-2, molecular dynamics "Enhanced peer review" - rebuilding early SARS-CoV-2 structures in ISOLDE Tristan Ian Croll University of Cambridge, Cambridge, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=651 3:20pm - 3:50pm ID: 1033 / MS-97: 3 Biological and macromolecular crystallography Invited lecture to session MS: New methods to fight the pandemic Keywords: Protein Data Bank; PDB; worldwide Protein Data Bank; structure data quality; biocuration; validation; OneDep; structure biology; macromolecular structure Improving the quality of 3D structure data in the Protein Data Bank with coordinate versioning supported by OneDep Jasmine Y. Young RCSB Protein Data Bank, Institute for Quantitative Biomedicine, Rutgers, The State University of New Jersey,Piscataway, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=652 3:50pm - 4:15pm ID: 1000 / MS-97: 4 Biological and macromolecular crystallography Oral/poster MS: New methods to fight the pandemic Keywords: SARS-CoV-2, main protease, neutron crystallography, protonation states, drug design Neutron crystallography for drug design targeting SARS-CoV-2 viral proteins Andrey Kovalevsky, Daniel Kneller, Leighton Coates Oak Ridge National Lab, Oak Ridge, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=653 4:15pm - 4:40pm ID: 1207 / MS-97: 5 Biological and macromolecular crystallography Oral/poster MS: New methods to fight the pandemic Keywords: SARS-CoV-2, X-ray crystallography, multitemperature crystallography, protein structure, protein flexibility The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M^pro) Ali Ebrahim^1,2, Blake T. Riley², Desigan Kumaran³, Babak Andi^4,5, Martin R. Fuchs⁴, Sean McSweeney^4,5, Daniel A. Keedy^2,6,7 ¹Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, England; ²Structural Biology Initiative, CUNY Advanced Science Research Center, New York, NY 10031; ³Biology Department, Brookhaven National Laboratory, Upton, NY 11973; ⁴National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, NY 11973; ⁵National Virtual Biotechnology Laboratory (NVBL), US Department of Energy, Washington, DC, United States; ⁶Department of Chemistry and Biochemistry, City College of New York, New York, NY 10031; ⁷Ph.D. Programs in Biochemistry, Biology, and Chemistry, The Graduate Center – City University of New York, New York, NY 10016 External Resource: https://www.xray.cz/iucrv/vidp.asp?id=654 4:40pm - 5:05pm ID: 1227 / MS-97: 6 Biological and macromolecular crystallography Oral/poster MS: Validation of cryoEM structures and maps, New methods to fight the pandemic Keywords: cryo-EM; SARS-CoV-2; model validation; mutations Validation of cryo-EM structures of SARS-CoV-2 and mapping genomic mutations Agnel Praveen Joseph, Sony Malhotra, Martyn Winn STFC, Scientific Computing Department, Harwell, Didcot, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=655
6:10pm - 7:00pm	PL-3: The structural biology of pathogenic amyloid fibrils Location: Panorama David Eisenberg Video
	ID: 1916 / PL-3: 1 Plenary and keynote Invited lecture to session Keywords: amyloid family, pathogenesis The Expanding Amyloid Family: Structure, Stability, Function, and Pathogenesis David Eisenberg UCLA, Los Angeles, United States of America External Resource: https://www.xray.cz/iucrv/vidp.asp?id=879
7:00pm - 7:45pm	Closing ceremony: Poster prizes, closing Location: Panorama Videos: IUCr president - IUCr vicepresident - New IUCr president - Next congress - IUCr25 summary - Closing - Closing 2 -

Session Overview
Location: Panorama 400 1st floor

Conference Agenda