XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
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: 31st Oct 2024, 11:52:56pm CET
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Session Overview | |
Location: Club A 170 1st floor |
Date: Sunday, 15/Aug/2021 | |
9:00am - 9:50am |
KN-3: High Pressure Crystallography Unlimited Location: Club A Chair: Arthur Haozhe Liu Leonid Dubrovinsky High pressure crystallography unlimited |
10:20am - 12:45pm |
MS-2: Validation of cryoEM structures and maps Location: Club A Chair: Jose-Maria Carazo Chair: Elena Orlova Invited: Florence Tama (Japan), Pavel Afonine (USA), G. Kleywegt (Germany) Protein hydrogen bond parameters as a new validation tool 10:50am - 11:20am Integrative modeling to characterize structure and dynamics of biomolecules 11:20am - 11:50am Community recommendations on validating cryo-EM models and data 11:50am - 12:05pm Cryo-EM Validation Metrics in EMDA 12:05pm - 12:20pm FSC-Q: A method for quality analysis of cryoEM-derived models 12:20pm - 12:35pm Outcomes from EMDataResource model challenges 12:35pm - 12:50pm Quantifiying resolvability of atomic features in cryo-EM maps using Q-scores |
2:45pm - 5:10pm |
MS-09: Structure guided drug design and antibiotic resistance targets Location: Club A Chair: Begoña Heras Chair: Anton V. Zavialov Invited: Vibha Gupta (India), Jade Forwood (Australia) Introduction to session 2:50pm - 3:20pm Understanding viral host interactions that modulate nuclear transport and innate immunity 3:20pm - 3:50pm Novel targets in old rouges: Integrative structural biology approach for discovery of natural product inhibitors 3:50pm - 4:10pm The structure of the ABC transporter PsaBC shows that bacterial manganese import is achieved by unique architectural features that are conserved across the kingdoms of life. 4:10pm - 4:30pm Uncovering the structures and mechanisms for the largest group of bacterial surface virulence factors. 4:30pm - 4:50pm Inhibiting, stabilising and probing the function of the Retromer endosomal trafficking complex through the novel macrocyclic peptides 4:50pm - 5:10pm Structural and mechanistic studies on carbapenem-hydrolysing class D serine β-lactamases leading to improved inhibitor design |
6:10pm - 7:00pm |
KN-6: The Coronavirus Structural Task Force Location: Club A Chair: Marcin Nowotny Andrea Thorn The Coronavirus Structural Task Force |
Date: Monday, 16/Aug/2021 | |
9:00am - 9:50am |
KN-9: Crystalline sponge, metal-organic assembles Location: Club A Chair: Masaki Kawano Makoto Fujita Crystalline Sponge Method: Recent Updates and Applications |
10:20am - 12:45pm |
MS-17: Automation in bio-crystallography: tools, perspectives and applications Location: Club A Chair: Santosh Panjikar Chair: Melanie Vollmar Invited: Katherine McAuley (UK), Jose Marquez (France) Introduction to session 10:25am - 10:55am Online Crystallography: Automated, Remote Controlled Protein-to-Structure Pipelines for Drug Design 10:55am - 11:25am Automated data collection at the Swiss Light Source macromolecular crystallography beamlines 11:25am - 11:45am Fully automated data collection and remote access in macromolecular crystallography beamlines at the Photon Factory, Japan 11:45am - 12:05pm Millisecond Time-Resolved Crystallography using Film Mixing and Plunge Cooling 12:05pm - 12:25pm Automated ML-based sample centering for macromolecular X-ray crystallography with MXAimbot 12:25pm - 12:45pm xia2.multiplex: a multi-crystal data analysis pipeline |
2:45pm - 5:10pm |
MS-25: Structural biology against coronavirus/covid-1 Location: Club A Chair: Sarah EJ Bowman Chair: Lu Zhang Chair: Gianluca Santoni Invited: Xuhui Huang (China) Introduction to session 2:50pm - 3:20pm Millisecond Functional Dynamics of RNA Polymerases Elucidated by Markov State Models 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) 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 4:00pm - 4:20pm Crystallographic fragment screening of SARS-CoV-2 drug discovery targets 4:20pm - 4:40pm A structure-guided, taxonomic-based approach to the design of broad-spectrum coronavirus protease inhibitors 4:40pm - 5:00pm Structure of SARS-CoV-2 papain-like protease PLpro reveals a framework for antiviral inhibitor design |
6:10pm - 7:00pm |
KN-12: Structural hybrid methods to probe membrane transport nanomachines in pathogenic bacteria Location: Club A Chair: Julie Bouckaert Natalie Strynadka Hybrid structural methods to probe atomic features of the Type III Secretion Injectisome of Pathogenic Bacteria |
Date: Tuesday, 17/Aug/2021 | |
9:00am - 9:50am |
KN-15: Time resolved macromolecular crystallography Location: Club A Chair: Ivana Kuta Smatanova Arwen R Pearson Time-resolved macromolecular crystallography: no longer a niche pursuit? |
10:20am - 12:45pm |
MS-33: CryoEM for macromolecules - from single particles to microcrystals Location: Club A Chair: Jan Pieter Abrahams Chair: Jiri Novacek Invited: Nenad Ban (Switzerland), Dimple Karia (Netherlands) Introduction to session 10:25am - 10:55am Structural basis of SARS-CoV-2 translational shutdown and programmed ribosomal frameshifting 10:55am - 11:25am Home source for cryo-EM 11:25am - 11:50am High-resolution structures of immature and chimeric flaviviruses reveal key features redefining viral architecture and maturation 11:50am - 12:15pm Receptor induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating 12:15pm - 12:40pm M. tuberculosis enolase: Crystal and Cryo-EM structures provide insights into 2-phosphoglycerate binding and catalysis |
1:00pm - 2:00pm |
Meeting 3 - Journals: Commission on Journals open meeting Location: Club A Chair: Andrew Allen Chair: Peter Raymond Strickland |
Date: Wednesday, 18/Aug/2021 | |
9:00am - 9:50am |
KN-18: Electron density, and its interplay with the energy and properties of molecules and solids Location: Club A Chair: Catharine Esterhuysen Julia Contreras-Garcia Electron density, and its interplay with the energy and properties of molecules and solids |
10:20am - 12:45pm |
MS-42: Novel techniques and insights into in vitro and in situ crystallisation for X-ray and electron diffraction. Location: Club A Chair: Lars Redecke Chair: Fasseli Coulibaly Invited: Haruki Hasegawa (USA), Alexandra Ros (USA) Introduction to session 10:25am - 10:55am Concurrent crystallization of multiple proteins in a single cell without interfering each other’s phase separation events 10:55am - 11:25am Microfluidic Tools Reducing Sample Amount in Serial Crystallography with XFELs 11:25am - 11:45am MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography 11:45am - 12:05pm The crystallomics pipeline, a shotgun approach on native proteomes to (re)discover the unsuspected 12:05pm - 12:25pm Protein crystallization assisted by the crystallophore. 12:25pm - 12:45pm Protein crystallisation in agarose gel, a cheap and versatile technique |
1:00pm - 2:00pm |
Workshop - Journals: Journal Author Workshop. From data to publication Location: Club A Chair: Andrew Allen Chair: Michele Zema Panelists: Elspeth Garman (Acta D); Chiara Massera (Acta E); Andrew Allen (Editor-in-Chief) Managing editors and IUCr staff: Louise Jones (Acta D); Michele Zema (Executive Outreach Officer) |
2:45pm - 5:10pm |
MS-49: Protein design and engineering Location: Club A Chair: Charlotte Uetrecht Chair: Sheena McGowan Introduction to session 2:50pm - 3:20pm Using Ancestral Sequence Reconstruction to Create Robust, Highly Expressed Proteins for Crystallography 3:20pm - 3:50pm Protein cage directed nanoparticle superlattices 3:50pm - 4:10pm The bright-side and the dark-side of computational protein stabilization 4:10pm - 4:30pm Enzyme engineering by random mutagenesis: structural and functional studies of modified plant-type L-asparaginase (EcAIII) 4:30pm - 4:50pm Computational design of symmetric eight and nine-bladed β-propellers 4:50pm - 5:10pm Structural evidence for the bleaching caused by oxygen in rsCherry |
6:10pm - 7:00pm |
KN-21: How limitless antibodies are generated by V(D)J recombination Location: Club A Chair: Marcin Nowotny Wei Yang How limitless antibodies are generated by V(D)J recombination |
Date: Thursday, 19/Aug/2021 | |
9:00am - 9:50am |
KN-24: Regulation of gene expression by transcription factors and RNA-binding proteins Location: Club A Chair: Pavlína Řezáčová Udo Heinemann Regulation of gene expression by transcription factors and RNA-binding proteins |
10:20am - 12:45pm |
MS-58: Ultra-high resolution macromolecular crystallography and quantum biocrystallography Location: Club A Chair: Christian Jelsch Chair: Alexander Wlodawer Invited: Paulina Dominiak (Poland), Maciej Kubicki (Poland) Introduction to session 10:25am - 10:55am Experimental studies of the details of electron density distribution in a Z-DNA hexamer: new insights, new problems 10:55am - 11:25am Moving quantum crystallography from sub-atomic XRD to near-atomic 3D ED 11:25am - 11:50am Principles of the mechanism of interfacial activation of a lipase: open and closed states and lipid – enzyme interactions in the limbus region of Candida antarctica Lipase B 11:50am - 12:15pm Investigating the redox cycle of tryparedoxin at ultra-high resolution 12:15pm - 12:40pm Theoretical electrostatic potential maps of macromolecules calculated with multipolar electron scattering factors |
1:00pm - 2:30pm |
ECA - GIG-1: ECA - GIG-1 Young Crystallographers Location: Club A |
2:45pm - 5:10pm |
MS-69a: Complex crystal structures - chemical crystallography Location: Club A Chair: Marie Colmont Chair: Sergey V. Krivovichev Introduction to session 2:50pm - 3:15pm Tellurides with monovalent Ga and In – from chains to networks 3:15pm - 3:40pm Elucidation and quantification of the factors underlying bond-length variation in inorganic solids for the design of non-oxide materials with superior functional properties 3:40pm - 4:05pm Synthesis and investigation of the 4H and newly discovered 6H perovskite polymorphs of BaRhO3 between 7 – 22 GPa. 4:05pm - 4:30pm Enhancing the Chemical Flexibility of Hybrid Perovskites by Introducing Divalent Ligands 4:30pm - 4:55pm Temperature dependent structural studies of incommensurately modulated Rb2ZnCl4 |
6:10pm - 7:00pm |
KN-25: A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process and the Discovery of Inhibitors Location: Club A Chair: Julie Bouckaert Glaucius Oliva A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process |
Date: Friday, 20/Aug/2021 | |
9:00am - 9:50am |
KN-30: Structure guided inhibitor discovery targeting a membrane receptor involved in atherosclerosis Location: Club A Chair: Julie Bouckaert Arockiasamy Arulandu Structure guided inhibitor discovery targeting a membrane receptor involved in atherosclerosis |
10:20am - 12:45pm |
MS-74: Structural biology of receptors, signaling and membrane proteins Location: Club A Chair: SUSAN KAY BUCHANAN Chair: Michael Parker Invited: Robert Keenan (USA), Isabel Moraes (UK) Introduction to session 10:25am - 10:55am Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization 10:55am - 11:25am An ER translocon for multi-pass membrane protein biogenesis 11:25am - 11:45am To eat or not to eat: Cryo-EM structure of melanocortin receptor 4 reveals mechanism of a “hunger switch” initiating satiety signaling. 11:45am - 12:05pm Unravelling the molecular architecture of the Commander assembly 12:05pm - 12:25pm Two-component pore formation by the novel CDCL proteins ALY short and ALY long from Elizabethkingia anophelis 12:25pm - 12:45pm Mechanistic insights into the synergistic activation ofthe RXR–PXR heterodimer by endocrinedisruptor mixtures |
1:00pm - 2:30pm |
ECA - SIG-11: ECA - SIG-11 Crystallography under Extreme Conditions Location: Club A |
2:45pm - 5:10pm |
MS-81: Nucleic acids and binding proteins structure and function Location: Club A Chair: Stephen Neidle Chair: Charles Bond Invited: Millie Georgiadis (USA), Liliya Yatsunyk (USA) Introduction to session 2:50pm - 3:20pm Non-canonical DNA structures and their interactions with small molecule ligands 3:20pm - 3:50pm Structural properties of Alien DNA, an alternative genetic system 3:50pm - 4:10pm APE1 Exonuclease Distinguishes Various DNA Substrates by an Induced Space-Filling Mechanism. 4:10pm - 4:30pm Structural characterization of clinically reported missense mutations identified in BRCA1 4:30pm - 4:50pm Solid-solid phase transition in adenine riboswitch crystals driven by large conformational changes induced by ligand Molecular mechanism of self-antigen recognition by the ligand binding domain of B cell inhibitory co-receptor CD72 |
6:10pm - 7:00pm |
KN-33: Overview of Global Neutron Sources, Instruments and Initiatives Location: Club A Chair: Jiri Kulda Ken Andersen Overview of Global Neutron Sources, Instruments and Initiatives |
Date: Saturday, 21/Aug/2021 | |
9:00am - 9:50am |
KN-34: Fabrication and Characterization of Inhomogeneity-free Polymer Gels Location: Club A Chair: Marijana Đaković Mitsushiro Shibayama Fabrication and characterization of inhomogeneity-free polymer gels |
10:20am - 12:45pm |
MS-92 (34b): Structural biology of enzymes, mechanism and regulation II Location: Club A Chair: Mirjam Czjzek Structural insights into the transposition of antibiotic resistance 10:50am - 11:20am Extraordinary Structures of Orphan Methyltransferases with Their Substrate DNA 11:20am - 11:40am Structural and mechanistic basis for protein glutamylation by the kinase fold 11:40am - 12:00pm Mechanism of RNA stimulated ATP hydrolysis by tick-borne encephalitis virus NS3 helicase 12:00pm - 12:20pm Quinol-dependent Nitric Oxide Reductases are dimers in cryoEM structures 12:20pm - 12:40pm Interactive GUI for the calculation of Fobs-Fobs electron density difference maps and extrapolated structure factors based on the cctbx toolbox |
2:45pm - 5:10pm |
MS-101 (18b): Phase transitions in complex materials (structure and magnetism) II Location: Club A Chair: Yuichi Shimakawa Chair: Alexandra Gibbs Towards an iterative exploration of novel materials exhibting electronic phase transitions 3:05pm - 3:25pm Negative X-ray expansion in cadmium cyanide 3:25pm - 3:45pm Crystal structure, complex phase diagram and re-entrant phase transition in NaSrPO4 3:45pm - 4:05pm Crystal structure of a new polymorph of Sr2TiO4 with tetrahedral titanium 4:05pm - 4:25pm Revisiting the crystal structure and magneto-elastic coupling in MnZnSb 4:25pm - 4:45pm Phase transitions and magnetic structures in Epsilon-Fe2O3 nanoparticles 4:45pm - 5:05pm Polytypism in layered AB2 solids |
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