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: 1st Nov 2024, 12:13:34am CET
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Session Overview | |
Location: Club B 50 1st floor |
Date: Sunday, 15/Aug/2021 | |
10:20am - 12:45pm |
MS-1: Structural bioinformatics Location: Club B Chair: Janusz Marek Bujnicki Chair: Jiri Cerny Invited: Zhichao Miao (UK) Introduction to session 10:25am - 10:55am RNA-Puzzles - the evaluation and automation of RNA 3D structure prediction 10:55am - 11:25am A nucleic acid structural alphabet and conformational analyses at dnatco.datmos.org 11:25am - 11:45am Applications of residue contact predictions in structural biology. 11:45am - 12:05pm Pepsi-SAXS/SANS - small-angle scattering-guided tools for integrative structural bioinformatics 12:05pm - 12:25pm Refactoring the B-factor: intuitively extracting structural dynamics from macromolecular disorder 12:25pm - 12:45pm Computational modeling of RNA 3D structures and RNA-protein complexes, with the use of experimental data |
2:45pm - 5:10pm |
MS-10: Structural biology of eukaryotic immune systems Location: Club B Chair: Bostjan Kobe Chair: Savvas Savvides Invited: Tsan Sam Xiao (USA), Raul Olivier Martin (USA), Wen Song (Germany) Introduction to session 2:50pm - 3:20pm Catching fire: inflammatory responses mediated by inflammasomes, caspases, and gasdermins 3:20pm - 3:50pm Structure of the activated ROQ1 resistosome directly recognizing the pathogen effector XopQ 3:50pm - 4:20pm Structural mechanism of NAD+ cleavage by plant TIR domain 4:20pm - 4:40pm The structure of the marsupial γμ T cell receptor defines a third T cell lineage in vertebrates 4:40pm - 5:00pm Bacterial lipopolysaccharide recognition by surfactant protein D 5:00pm - 5:20pm Molecular basis underpinning metabolite-mediated T-cell immunity |
Date: Monday, 16/Aug/2021 | |
10:20am - 12:45pm |
MS-21: Structure, modeling and properties of quasicrystals Location: Club B Chair: Michael Engel Chair: Cesar Baban Pay Gómez Invited: Tsunemoto Yamada (Japan), Priya Subramanian (UK) Introduction to session 10:25am - 10:55am Atomic structures of Tsai-type icosahedral quasicrystals and approximants 10:55am - 11:25am How to determine thermodynamically stable soft matter quasicrystals efficiently? 11:25am - 11:45am The d-AlCuRh stability – the proof of the random-tiling hypothesis by the distribution moments analysis 11:45am - 12:05pm Beyond Golay-Rudin-Shapiro 12:05pm - 12:25pm Molecular dynamics simulation of complex alloy structures 12:25pm - 12:45pm Atomic resolution holography for characterizing the local structure in quasicrystals |
2:45pm - 5:10pm |
MS-26: Solution scattering and combined techniques for biological systems, including component dynamics Location: Club B Chair: Frank Gabel Chair: Masaaki Sugiyama Invited: Mitsunori Ikeguchi (Japan), Anne Martel (France) Introduction to session 2:50pm - 3:20pm Motion of a Membrane Enzyme as Seen by SANS 3:20pm - 3:50pm MD-SAXS: Hybrid method of molecular dynamics simulations and small-angle x-ray scattering experiments 3:50pm - 4:10pm Transient complexes of the Nsp7, Nsp8 and Nsp12 in SARS-CoV-2 replication transcription complex 4:10pm - 4:30pm The dynamics and interactions of Scs proteins from Proteus mirabilis 4:30pm - 4:50pm Application of a lanthanide tag for evaluation of conformational states of a multidomain protein 4:50pm - 5:10pm An Objective Metric to Guide Background Correction and Interepretation of Small Angle X-ray Scattering Data |
Date: Tuesday, 17/Aug/2021 | |
10:20am - 12:45pm |
MS-34a: Structural biology of enzymes, mechanism and regulation Location: Club B Chair: Mirjam Czjzek Invited: Liang Wu (UK), Orsolya Barabas (Germany) Introduction to session 10:25am - 10:55am Adventures in heparan sulfate degradation 10:55am - 11:25am High-resolution structure and reaction cycle of Fatty Acid Photodecarboxylase: anatomy of a crime scene 11:25am - 11:45am Structural insights into the enzymatic mechanism of lytic polysaccharide monooxygenases 11:45am - 12:05pm Structural studies on a unique glucosamine kinase unveil a novel enzyme family 12:05pm - 12:25pm Biosynthesis of mycobacterial methylmannose polysaccharides requires a unique 1-O-methyltransferase specific for 3-O-methylated mannosides 12:25pm - 12:45pm Time-resolved serial femtosecond crystallography on photoswitchable fluorescent proteins |
Date: Wednesday, 18/Aug/2021 | |
10:20am - 12:45pm |
MS-41: Macromolecular machines and hybrid methods to crystallography Location: Club B Chair: Michael Landsberg Chair: Dmitry Svergun Invited: Kristina Djinovic-Carugo (Austria), Tanmay Bharat (India) Introduction to session 10:25am - 10:55am Structural biology of prokaryotic cell surfaces 10:55am - 11:25am Order from disorder in the sarcomere: FATZ forms a fuzzy complex and phase-separated macromolecular condensates with α-actinin 11:25am - 11:45am Deciphering the role of unique bacterial transcription-associated factor HelD. 11:45am - 12:05pm Anomalous small-angle X-ray scattering on biological macromolecules at the P12 beamline of EMBL-Hamburg 12:05pm - 12:25pm An asymmetric structure of the filament is key to inducing flagellar curvature and enabling motility in the Leptospira spirochete 12:25pm - 12:45pm Structure of the 80S ribosome from Candida albicans revealed by integrative structural biology approach |
2:45pm - 5:10pm |
MS-51: Molecular magnets and metal-organic frameworks including quantum crystallography approaches Location: Club B Chair: Jozef Kozisek Chair: Verónica Paredes-García Invited: Ivan Němec (Czech Republic), Lorraine Andrade Malaspina (France) Introduction to session 2:50pm - 3:20pm Semicoordination in Co(II) Single-Ion Magnets 3:20pm - 3:50pm Quantum crystallography of systems with agostic interactions 3:50pm - 4:10pm Field-dependent magnetic anisotropy in a single-ion magnet measured using polarized neutron powder diffraction 4:10pm - 4:30pm Through-space intervalence charge transfer in cobalt based Metal-organic framework: an experimental and theoretical study 4:30pm - 4:50pm Magnetism of 2D Thiocyanates 4:50pm - 5:10pm High-Pressure Studies of Single-Molecule Magnets |
Date: Thursday, 19/Aug/2021 | |
10:20am - 12:45pm |
MS-60: Composite and incommensurate modulated crystals: structural and physical properties Location: Club B Chair: Sylvain Ravy Chair: Sander van Smaalen Invited: Stephan J. Skinner (UK), Vincent Jacques (France) Introduction to session 10:25am - 10:55am Investigating the modulated structures in the La(Nb,W)O4+d family of oxide ion conductors 10:55am - 11:25am Revealing pinning and solitonic transport of sliding charge-density-waves by coherent and nano-XRD 11:25am - 11:45am Polytelluride Anions in Deficient RETe2–δ Structures – Superstructures and Bonding Analysis 11:45am - 12:05pm Hysteretic structural changes within five-layered modulated 10M martensites of Ni-Mn-Ga(-Fe) 12:05pm - 12:25pm The interplay of framework instability and electron-phonon coupling in a CDW system, the monophosphate tungsten bronze family. 12:25pm - 12:45pm Ba10Y6Ti4O27 an aperiodic oxide with an unusually low thermal conductivity. |
1:00pm - 2:30pm |
ECA - SIG-5: ECA - SIG-5 Mineral and Inorganic Crystallography Location: Club B SIG - 5 |
2:45pm - 5:10pm |
MS-68: Symmetry aspects of magnetic order and magnetic properties Location: Club B Chair: Mois Ilia Aroyo Chair: Margarida Henriques Invited: Laura Chaix (France), Fabio Orlandi (UK) Introduction to session 2:50pm - 3:20pm Ba3NbFe3Si2O14:a model system to study magnetic chirality 3:20pm - 3:50pm Peculiar commensurate spin density wave in CeAuSb2 under uniaxial stress 3:50pm - 4:10pm Absolute sign of the Dzyaloshinskii-Moriya interaction in weak ferromagnets disclosed by polarized neutron diffraction 4:10pm - 4:30pm Resonant x-ray scattering of magnetic anisotropy and orbital ordering in Ca2RuO4 4:30pm - 4:50pm Low-temperature magnetic state of Ho7Rh3 studied by neutron diffraction and ac magnetic susceptibility |
Date: Friday, 20/Aug/2021 | |
10:20am - 12:45pm |
MS-79(69b): Complex structures of minerals and inorganic materials Location: Club B Chair: Marie Colmont Chair: Sergey V. Krivovichev Introduction to session 10:25am - 10:55am Tracing electron density changes in langbeinite under pressure 10:55am - 11:25am Experimental Electron Density Distribution and QTAIM Topological Analysis for the Perovskite Mineral: Sulphohalite – Na6(SO4)2FCl 11:25am - 11:45am Direct observation of pressure induced charge density redistribution at ions in zeolite, hsianghualite 11:45am - 12:05pm Structural studies of titanium and zirconium silicate ion-exchange materials for the treatment of nuclear waste 12:05pm - 12:25pm Crystal and Magnetic structures and Dielectric phase transition of the novel Organic-Inorganic Hybrid Halometallate compound: (quinuclidine)[FeCl4] |
2:45pm - 5:10pm |
MS-88: Quantum crystallography research Location: Club B Chair: Yu-Sheng Chen Chair: Katarzyna N. Jarzembska Invited: Sophie E. Canton (Hungary), Simon Grabowsky (Switzerland)
Introduction to session 2:50pm - 3:20pm Synchrotron experiments revealing the similarities and differences between crystal and enzyme environmental effects on the electron densities of protease inhibitors and ibuprofen derivatives 3:20pm - 3:50pm Visualizing the multiscale structural dynamics of photoexcited molecular complexes with ultrafast hard X-rays 3:50pm - 4:10pm Ultrafast photocrystallographic and spectroscopic studies of selected coinage-metal coordination compounds 4:10pm - 4:30pm Electronic structure of (MePh3P)2[NiII(bdtCl2)2] . (CH3)2SO and (MePh3P)[NiIII(bdtCl2)2], (bdtCl2 - 3,6-dichlorobenzene-1,2-dithiolate) 4:30pm - 4:50pm Unusual carbonyl interactions in co-crystals of urea and dicarboxylic acids 4:50pm - 5:10pm Testing various variants of Hirshfeld atom like refinement. |
Date: Saturday, 21/Aug/2021 | |
10:20am - 12:45pm |
MS-89: Fragment Screening, LCP, and Automation Location: Club B Chair: Alice Douangamath Chair: Lisa J. Keefe Invited: Martin Noble (UK), Kenton Longenecker (USA) Introduction to session 10:25am - 10:55am Fragment-Based Discovery of Orally Efficacious Allosteric Inhibitors of TNF-alpha 10:55am - 11:25am FragLites: a library of small molecules incorporating anomalous scatterers with applications in screening and protein interaction mapping 11:25am - 11:45am Using sound pulses to solve the crystal harvesting bottleneck 11:45am - 12:05pm High throughput approach to prepare high-density microcrystals in lipidic cubic phase for serial crystallography and fragment screening 12:05pm - 12:25pm Fragment-based development of bacterial DsbA inhibitors as novel anti-virulence agents 12:25pm - 12:45pm Efficiently from Library to Hit – Crystallographic Fragment Screening in Berlin via Structurally Diverse Compound Libraries |
2:45pm - 5:10pm |
MS-100: Stimuli-responsive crystalline compounds Location: Club B Chair: Chiara Massera Chair: Ivan Halasz Invited: Tomce Runcevski (USA), Helena Shepherd (UK) Introduction to session 2:50pm - 3:20pm Structural Insights into the Temperature-induced Color Changes of [(CH3)2NH2]2NiCl4 3:20pm - 3:50pm Smart Molecular Materials: Synthesis, Structure and Properties 3:50pm - 4:10pm Ultra-Fast Rotors and Light Emitting Ligands in Metal-Organic Frameworks 4:10pm - 4:30pm Shape-memory effects in molecular crystals 4:30pm - 4:50pm Low-power photo-carving of dye-volatile cocrystals: The sublime cutting edge of light-responsive materials 4:50pm - 5:10pm Crystal locomotion driven by photo-triggered phase transition |
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