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: 14th June 2024, 03:36:54pm CEST
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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 Session Chair: Arthur Haozhe Liu Leonid Dubrovinsky |
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10:20am - 12:45pm | MS-2: Validation of cryoEM structures and maps Location: Club A Session Chair: Jose-Maria Carazo Session Chair: Elena Orlova Invited: Florence Tama (Japan), Pavel Afonine (USA), G. Kleywegt (Germany) |
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10:20am - 10:50am
ID: 126 / MS-2: 1 All topics Invited lecture to session MS: Validation of cryoEM structures and maps Keywords: hydrogen bond, Phenix, crystallography, cryo-EM, validation Protein hydrogen bond parameters as a new validation tool 1Lawrence Berkeley National Laboratory, Berkeley, United States of America; 2International Center for Quantum and Molecular Structures, Shanghai University, Shanghai 200444, People's Republic of China; 3Bioscience Division, Los Alamos National Laboratory, Mail Stop M888, Los Alamos, NM 87545, USA; 4New Mexico Consortium, Los Alamos, NM 87544, USA; 5Department of Bioengineering, University of California Berkeley, Berkeley, CA 94720, USA 10:50am - 11:20am
ID: 1234 / MS-2: 2 Biological and macromolecular crystallography Invited lecture to session MS: Validation of cryoEM structures and maps Keywords: cryo-EM, flexible fitting, dynamics, biomolecules Integrative modeling to characterize structure and dynamics of biomolecules Nagoya University & RIKEN, Nagoya, Japan 11:20am - 11:50am
ID: 385 / MS-2: 3 All topics Invited lecture to session MS: Validation of cryoEM structures and maps Keywords: Validation Community recommendations on validating cryo-EM models and data EMBL EBI, Cambridge, United Kingdom 11:50am - 12:05pm
ID: 1256 / MS-2: 4 Biological and macromolecular crystallography Oral/poster MS: Validation of cryoEM structures and maps, CryoEM for macromolecules - from single particles to microcrystals Posters only: General (if it does not fit to any specific topics nor areas) Keywords: EMDA, cryo-EM, correlation, likelihood, signal Cryo-EM Validation Metrics in EMDA MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge, Biomedical Campus, Cambridge, CB2 0QH, UK 12:05pm - 12:20pm
ID: 1095 / MS-2: 5 All topics Oral/poster MS: Validation of cryoEM structures and maps Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics) Keywords: CryoEM, map-to-model validation, local resolution FSC-Q: A method for quality analysis of cryoEM-derived models CNB-CSIC, Madrid, Spain 12:20pm - 12:35pm
ID: 1294 / MS-2: 6 Biological and macromolecular crystallography Oral/poster MS: Validation of cryoEM structures and maps Keywords: CryoEM, Validation, Structural Biology, Challenges, Data Archiving Outcomes from EMDataResource model challenges 1Rutgers University, NJ, USA; 2University of California Davis, CA, USA; 3Stanford University/SLAC, Stanford, CA, USA 12:35pm - 12:50pm
ID: 1174 / MS-2: 7 All topics Oral/poster MS: Validation of cryoEM structures and maps Keywords: cryo-EM, model, structure, Q-scores, resolution Quantifiying resolvability of atomic features in cryo-EM maps using Q-scores 1Stanford University; 2Stanford University, SLAC National Accelerator Laboratory; 3Stanford University, SLAC National Accelerator Laboratory |
2:45pm - 5:10pm | MS-09: Structure guided drug design and antibiotic resistance targets Location: Club A Session Chair: Begoña Heras Session Chair: Anton V. Zavialov Invited: Vibha Gupta (India), Jade Forwood (Australia) |
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2:45pm - 2:50pm
ID: 1739 / MS-09: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 1396 / MS-09: 2 Biological and macromolecular crystallography Invited lecture to session MS: Structure guided drug design and antibiotic resistance targets Keywords: importin, virus, immune, nucleus, RNA Understanding viral host interactions that modulate nuclear transport and innate immunity 1School of Biomedical Sciences, Charles Sturt University, Wagga Wagga, NSW, Australia; 2Center for Microbial Pathogenesis, Institute for Biomedical Sciences, Georgia State University, Atlanta, USA; 3Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, VIC, Australia; 4Australian Synchrotron, Australian Nuclear Science and Technology Organisation, 800 Blackburn Road, Clayton, VIC, Australia 3:20pm - 3:50pm
ID: 1563 / MS-09: 3 All topics Invited lecture to session MS: Structure guided drug design and antibiotic resistance targets Keywords: Serine acetyltransferase, Isocitrate lyase, novel targets, natural inhibitors Novel targets in old rouges: Integrative structural biology approach for discovery of natural product inhibitors Jaypee Institute of Information Technology, A-10, Sector-62, Noida, U.P., India 3:50pm - 4:10pm
ID: 1026 / MS-09: 4 Biological and macromolecular crystallography Oral/poster MS: Structural biology of receptors, signaling and membrane proteins, Structure guided drug design and antibiotic resistance targets Keywords: membrane protein, X-ray crystallography, Streptococcus pneumoniae, manganese 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. 1The University of Melbourne, Parkville, Australia; 2University of Gothenburg, Gothenburg, Sweden.; 3Australian National University, Canberra, Australia; 4Kyoto University, Kyoto, Japan 4:10pm - 4:30pm
ID: 1347 / MS-09: 5 All topics Oral/poster MS: Structural biology of receptors, signaling and membrane proteins, Structure guided drug design and antibiotic resistance targets, Structural biology of enzymes, mechanism and regulation, Data-driven discovery in crystallography, Macromolecular machines and hybrid methods to crystallography Keywords: Macromolecular machines, Mechanism, Pathogen, Antibiotic resistance, Techniques. Uncovering the structures and mechanisms for the largest group of bacterial surface virulence factors. 1Department of Biochemistry and Genetics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, Australia; 2Institute of Health and Biomedical Innovation, School of Biomedical Sciences, Queensland University of Technology, Herston, Queensland, Australia; 3Australian Infectious Diseases Research Centre, School of Chemistry and Molecular Biosciences, The University of Queensland, Brisbane, Queensland, Australia; 4Macromolecular Crystallography, Australian Synchrotron, Clayton, Victoria, Australia 4:30pm - 4:50pm
ID: 839 / MS-09: 6 Biological and macromolecular crystallography Oral/poster MS: Structure guided drug design and antibiotic resistance targets, Macromolecular machines and hybrid methods to crystallography Keywords: Membrane trafficking, Retromer, macromolecular crystallography, CryoEM, cyclic peptide Inhibiting, stabilising and probing the function of the Retromer endosomal trafficking complex through the novel macrocyclic peptides 1The University of Queensland, Institute for Molecular Bioscience, St. Lucia, Queensland, 4072, Australia; 2The University of Queensland, School of Biomedical Sciences, St Lucia, Queensland, 4072, Australia; 3Department of Biological Sciences, Center for Structural Biology, Vanderbilt University, Nashville, TN 37232, USA; 4Cambridge Institute for Medical Research, University of Cambridge, Cambridge, UK; 5Department of Chemistry, Graduate School of Science, the University of Tokyo, 7-3-1 Hongo, Bunkyo-Ku, Tokyo 113-0033, Japan; 6Sydney Analytical, the University of Sydney, Camperdown, New South Wales 2050, Australia 4:50pm - 5:10pm
ID: 183 / MS-09: 7 Biological and macromolecular crystallography Oral/poster MS: Structure guided drug design and antibiotic resistance targets Keywords: antibiotic resistance; carbapenemases; covalent intermediate; structure-aided drug design Structural and mechanistic studies on carbapenem-hydrolysing class D serine β-lactamases leading to improved inhibitor design 1Stanford Synchrotron Radiation Lightsource, Stanford University, Menlo Park, California, USA; 2Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana, USA |
6:10pm - 7:00pm | KN-6: The Coronavirus Structural Task Force Location: Club A Session Chair: Marcin Nowotny Andrea Thorn |
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Date: Monday, 16/Aug/2021 | |
9:00am - 9:50am | KN-9: Crystalline sponge, metal-organic assembles Location: Club A Session Chair: Masaki Kawano Makoto Fujita |
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10:20am - 12:45pm | MS-17: Automation in bio-crystallography: tools, perspectives and applications Location: Club A Session Chair: Santosh Panjikar Session Chair: Melanie Vollmar Invited: Katherine McAuley (UK), Jose Marquez (France) |
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10:20am - 10:25am
ID: 1746 / MS-17: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 1179 / MS-17: 2 Biological and macromolecular crystallography Invited lecture to session MS: Automation in bio-crystallography: tools, perspectives and applications Keywords: Automation, High Throughput, Fragment screening, Data management and workflows, Drug design Online Crystallography: Automated, Remote Controlled Protein-to-Structure Pipelines for Drug Design European Molecular Biology Laboratory, Grenoble, France 10:55am - 11:25am
ID: 1445 / MS-17: 3 Biological and macromolecular crystallography Invited lecture to session MS: Automation in bio-crystallography: tools, perspectives and applications Keywords: beamline automation, macromolecular crystallography Automated data collection at the Swiss Light Source macromolecular crystallography beamlines Paul Scherrer Institut, Villigen, Switzerland 11:25am - 11:45am
ID: 1542 / MS-17: 4 Biological and macromolecular crystallography Oral/poster MS: Automation in bio-crystallography: tools, perspectives and applications Keywords: Synchrotron, automation, remote access Fully automated data collection and remote access in macromolecular crystallography beamlines at the Photon Factory, Japan 1Structural Biology Research Center, Institute of Materials Structure Science, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki, Japan; 2School of High Energy Accelerator Science, The Graduate University for Advanced Studies, 1-1 Oho, Tsukuba, Ibaraki, Japan; 3Mechanical Engineering Center, Applied Research Laboratory, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki, Japan 11:45am - 12:05pm
ID: 1245 / MS-17: 5 All topics Oral/poster MS: Automation in bio-crystallography: tools, perspectives and applications, Structural biology of enzymes, mechanism and regulation, Macromolecular machines and hybrid methods to crystallography Posters only: Methods, instrumentation (if it does not fit to any specific topics) Keywords: Time-resolved crystallography, Method development, Cryocrystallography Millisecond Time-Resolved Crystallography using Film Mixing and Plunge Cooling 1Cornell University, Ithaca NY, United States of America; 2University of Waterloo, Waterloo ON, Canada 12:05pm - 12:25pm
ID: 1067 / MS-17: 6 All topics Oral/poster MS: Machine learning in biological and structural sciences, Automation in bio-crystallography: tools, perspectives and applications Special sessions: Introduction to machine learning Keywords: machine learning, automation, sample centering, neural network Automated ML-based sample centering for macromolecular X-ray crystallography with MXAimbot MAX IV Laboratory, Lund, Sweden 12:25pm - 12:45pm
ID: 1260 / MS-17: 7 All topics Oral/poster MS: Automation in bio-crystallography: tools, perspectives and applications, Handling of big data in crystallography, High troughput vs. careful planning: How to get the best data? Keywords: Multi-crystal, data analysis xia2.multiplex: a multi-crystal data analysis pipeline Diamond Light Source Ltd, Oxfordshire, United Kingdom |
2:45pm - 5:10pm | MS-25: Structural biology against coronavirus/covid-1 Location: Club A Session Chair: Sarah EJ Bowman Session Chair: Lu Zhang Session Chair: Gianluca Santoni Invited: Xuhui Huang (China) |
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2:45pm - 2:50pm
ID: 1754 / MS-25: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 1361 / MS-25: 2 All topics Invited lecture to session MS: Structural biology against coronavirus/covid-19 Keywords: Molecular Dynamics, RNA polymerase, SARS-CoV-2 RdRp Millisecond Functional Dynamics of RNA Polymerases Elucidated by Markov State Models The Hong Kong University of Science and Technology, Kowloon, Hong Kong S.A.R. (China) 3:20pm - 3:40pm
ID: 1204 / MS-25: 3 Biological and macromolecular crystallography Oral/poster MS: Structural biology against coronavirus/covid-19 Keywords: IUCr2021; SARS-CoV-2; main protease; acoustic droplet ejection; Telaprevir Co-crystallization of hepatitis C virus NS3/4A inhibitors and SARS-CoV-2 main protease using high density acoustic droplet ejection (ADE) 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
ID: 1229 / MS-25: 4 Biological and macromolecular crystallography Oral/poster MS: Nucleic acids and protein - nuclear acid interactions, Structural biology of viruses - in memory of Michael Rossmann, Structural biology of enzymes, mechanism and regulation, Structural biology against coronavirus/covid-19 Keywords: SARS-CoV-2, RNA methylation, mRNA capping enzymes, nsp16, methyltransferases Structural basis of mRNA cap modification by SARS-CoV-2: Role of metal ions and implications for COVID-19 severity by emerging variants 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
ID: 1266 / MS-25: 5 Biological and macromolecular crystallography Oral/poster MS: New methods to fight the pandemic, Structural biology against coronavirus/covid-19 Keywords: IUCr2021; XChem; coronavirus; fragments; FBDD Crystallographic fragment screening of SARS-CoV-2 drug discovery targets 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
ID: 1195 / MS-25: 6 Biological and macromolecular crystallography Oral/poster MS: Structural biology against coronavirus/covid-19 Keywords: COVID-19, SARS-CoV-2, inhibitor, drug, structure A structure-guided, taxonomic-based approach to the design of broad-spectrum coronavirus protease inhibitors Purdue University, W Lafayette, United States of America 4:40pm - 5:00pm
ID: 1321 / MS-25: 7 Biological and macromolecular crystallography Oral/poster MS: New methods to fight the pandemic, Structural biology against coronavirus/covid-19 Keywords: SARS-CoV-2; papain-like protease PLpro; antiviral inhibitor design, Crystallography Structure of SARS-CoV-2 papain-like protease PLpro reveals a framework for antiviral inhibitor design 1Universität 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), Universität Hamburg, Luruper Chaussee 149, 22761, Hamburg, Germany. |
6:10pm - 7:00pm | KN-12: Structural hybrid methods to probe membrane transport nanomachines in pathogenic bacteria Location: Club A Session Chair: Julie Bouckaert Natalie Strynadka |
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ID: 1660
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Plenary and keynote Invited lecture to session Keywords: bacterial membrane assemblies, bacterial pathogenicity, antimicrobial targets, hybrid structural biology methods, single particle cryo electron microscopy Hybrid structural methods to probe atomic features of the Type III Secretion Injectisome of Pathogenic Bacteria UBC, Vancouver, Canada |
Date: Tuesday, 17/Aug/2021 | |||
9:00am - 9:50am | KN-15: Time resolved macromolecular crystallography Location: Club A Session Chair: Ivana Kuta Smatanova Arwen R Pearson | ||
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10:20am - 12:45pm | MS-33: CryoEM for macromolecules - from single particles to microcrystals Location: Club A Session Chair: Jan Pieter Abrahams Session Chair: Jiri Novacek Invited: Nenad Ban (Switzerland), Dimple Karia (Netherlands) | ||
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10:20am - 10:25am
ID: 1763 / MS-33: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 1418 / MS-33: 2 Biological and macromolecular crystallography Invited lecture to session MS: CryoEM for macromolecules - from single particles to microcrystals Keywords: cryo-electron microscopy, protein synthesis, viral translation Structural basis of SARS-CoV-2 translational shutdown and programmed ribosomal frameshifting ETH Zurich, Zurich, Switzerland 10:55am - 11:25am
ID: 906 / MS-33: 3 Biological and macromolecular crystallography Invited lecture to session MS: CryoEM for macromolecules - from single particles to microcrystals Keywords: cryo-EM, Single Particle Analysis, Tundra, Glacios, GABAA receptor Home source for cryo-EM 1Thermo Fisher Scientific, Materials and Structural Analysis Division, Achtseweg Noord, Eindhoven, Netherlands; 2Thermo Fisher Scientific Brno s.r.o, Materials & Structural Analysis, Brno, Czech Republic 11:25am - 11:50am
ID: 806 / MS-33: 4 Biological and macromolecular crystallography Oral/poster MS: CryoEM for macromolecules - from single particles to microcrystals, Structural biology of viruses - in memory of Michael Rossmann Keywords: Flaviviruses, virus assembly, epidemic, cryo-EM, insect viruses High-resolution structures of immature and chimeric flaviviruses reveal key features redefining viral architecture and maturation 1Monash University, Clayton, VIC, Australia; 2The University of Queensland, Brisbane, QLD, Australia 11:50am - 12:15pm
ID: 1190 / MS-33: 5 Biological and macromolecular crystallography Oral/poster MS: CryoEM for macromolecules - from single particles to microcrystals, Structural biology of viruses - in memory of Michael Rossmann, Structural biology of receptors, signaling and membrane proteins Keywords: rhinovirus, ICAM-1, cryo-EM, single particle analysis, receptor Receptor induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating CEITEC MU, Brno, Czech Republic 12:15pm - 12:40pm
ID: 474 / MS-33: 6 Bursary application Poster MS: Structural bioinformatics, CryoEM for macromolecules - from single particles to microcrystals, Structural biology of viruses - in memory of Michael Rossmann, Structural biology of eukaryotic immune systems, Structural biology of receptors, signaling and membrane proteins, Protein design and engineering, Data-driven discovery in crystallography, Structural bioinformatics Posters only: Hot structures of biological importance, Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: Keywords: Mycobacterium tuberculosis, Enolase, X-ray crystallography, CryoEM, Molecular dynamics M. tuberculosis enolase: Crystal and Cryo-EM structures provide insights into 2-phosphoglycerate binding and catalysis 1National Institute of Immunology, New Delhi, India; 2National Centre for Biological Sciences, Bangalore 560065, India; 3Alagappa University ,Karaikudi, Tamil Nadu 630003, India; 4Infectious Disease Research Institute, 1616 Eastlake Avenue E, Suite 400, Seattle,WA98102, United States Bibliography
Dwivedy A, Jha B, Singh KH, Ahmad M, Ashraf A, Kumar D, Biswal BK. (2018). Serendipitous crystallization and structure determination of bacterioferritin from Achromobacter. Acta Crystallogr Sect F Struct Biol Commun 74:558–566. Mohammed Ahmad, Bhavya Jha, Satish Tiwari1, Abhisek Dwivedy,Richard Mariadasse, Ravikant Pal, Tanya Parish, J. jeyakanthan, Vinoth Kutti Ragunath and Bichitra Kumar Biswal, M. tuberculosis enolase: Crystal and Cryo-EM structures provide insights into 2-phosphoglycerate binding and catalysis (under review) | ||
1:00pm - 2:00pm | Meeting 3 - Journals: Commission on Journals open meeting Location: Club A Session Chair: Andrew Allen Session 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 Session Chair: Catharine Esterhuysen Julia Contreras-Garcia |
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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 Session Chair: Lars Redecke Session Chair: Fasseli Coulibaly Invited: Haruki Hasegawa (USA), Alexandra Ros (USA) |
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10:20am - 10:25am
ID: 1773 / MS-42: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 380 / MS-42: 2 Biological and macromolecular crystallography Invited lecture to session MS: Novel techniques and insights into in vitro and in situ crystallisation for X-ray and electron diffraction Keywords: intracellular protein crystallization, phase separation, ER, cytosol, nucleus Concurrent crystallization of multiple proteins in a single cell without interfering each other’s phase separation events Amgen Inc, South San Francisco, United States of America 10:55am - 11:25am
ID: 1078 / MS-42: 3 Biological and macromolecular crystallography Invited lecture to session MS: Novel techniques and insights into in vitro and in situ crystallisation for X-ray and electron diffraction Keywords: Microfluidics, droplets, synchronization, sample delivery Microfluidic Tools Reducing Sample Amount in Serial Crystallography with XFELs Arizona State University, Tempe, United States of America 11:25am - 11:45am
ID: 972 / MS-42: 4 Biological and macromolecular crystallography Oral/poster MS: Machine learning in biological and structural sciences, Ultra-high resolution macromolecular crystallography and quantum biocrystallography, Novel techniques and insights into in vitro and in situ crystallisation for X-ray and electron diffraction, Solution scattering and combined techniques for biological systems, including component dynamics system, Structural biology of receptors, signaling and membrane proteins, Macromolecular machines and hybrid methods to crystallography Keywords: XFEL, serial crystallography, microED, MyD88 MyD88 TIR domain higher-order assembly interactions revealed by microcrystal electron diffraction and serial femtosecond crystallography 1Australian Research Council Centre of Excellence in Advanced Molecular Imaging, Department of Chemistry and Physics, La Trobe Institute for Molecular Science, La Trobe University, Melbourne, Victoria, Australia; 2Department of Materials and Environmental Chemistry, Stockholm University, Stockholm, Sweden; 3School of Chemistry and Molecular Biosciences, The University of Queensland, Brisbane, Queensland, Australia; 4Department of Biological Chemistry, University of California Los Angeles, Los Angeles, California, USA; 5Institute for Glycomics, Griffith University, Southport, Queensland, Australia.; 6EMBL Australia Node in Single Molecule Science, University of New South Wales, Kensington, New South Wales, Australia; 7Institute for Molecular Bioscience, The University of Queensland, Brisbane, Queensland, Australia; 8Cambridge Institute for Medical Research, University of Cambridge, Cambridge, UK.; 9Linac Coherent Light Source, SLAC National Accelerator Laboratory, Menlo Park, California, USA.; 10Australian Infectious Diseases Research Centre, The University of Queensland, Brisbane, Queensland, Australia. 11:45am - 12:05pm
ID: 1101 / MS-42: 5 Biological and macromolecular crystallography Oral/poster MS: Novel techniques and insights into in vitro and in situ crystallisation for X-ray and electron diffraction Keywords: purification, crystallisation, Sulfur-SAD, JUNGFRAU; in crystallo spectroscopy The crystallomics pipeline, a shotgun approach on native proteomes to (re)discover the unsuspected 1Swiss Light Source, Paul Scherrer Institut, Forschungsstrasse 111, Villigen-PSI, 5232, Switzerland; 2European Synchrotron Radiation Facility, 38043 Grenoble, France; 3Max-Planck-Institut für Marine Mikrobiologie, Celsiusstraße 1, 28359, Bremen, Germany; 4Structural Biology Research Center, Photon Factory, Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tsukuba, 305-0801, Japan.; 5Institut de Biologie Structurale (IBS), Universite ́ Grenoble Alpes, CEA, CNRS, 71 avenue des Martyrs, Grenoble Cedex 9, 38044, France 12:05pm - 12:25pm
ID: 1020 / MS-42: 6 Biological and macromolecular crystallography Oral/poster MS: Novel techniques and insights into in vitro and in situ crystallisation for X-ray and electron diffraction Keywords: Crystallisation, crystallophore, nucleating agents, structure determination, phasing Protein crystallization assisted by the crystallophore. 1Institut de Biologie Structurale, Grenoble, France; 2Ecole Normale Supérieure, Lyon, France 12:25pm - 12:45pm
ID: 900 / MS-42: 7 Biological and macromolecular crystallography Oral/poster MS: Novel techniques and insights into in vitro and in situ crystallisation for X-ray and electron diffraction Keywords: agarose hydrogel; protein crystal nucleation, serial crystallography Protein crystallisation in agarose gel, a cheap and versatile technique 1CSIC, Granada, Spain; 2Politecnico di Torino, Torino, Italy; 3Structural Biology, Molecular Biology Institute of Barcelona, Barcelona, Spain |
1:00pm - 2:00pm | Workshop - Journals: Journal Author Workshop. From data to publication Location: Club A Session Chair: Andrew Allen Session 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 Session Chair: Charlotte Uetrecht Session Chair: Sheena McGowan |
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2:45pm - 2:50pm
ID: 1780 / MS-49: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 1422 / MS-49: 2 Biological and macromolecular crystallography Invited lecture to session MS: Protein design and engineering Keywords: Ancestral Sequence Reconstruction, Thermostability, Cytochrome P450, Directed Evolution, Biocatalysis Using Ancestral Sequence Reconstruction to Create Robust, Highly Expressed Proteins for Crystallography 1The University of Queensland, Brisbane, Australia; 2University of Michigan, Ann Arbor, MI, Unites States 3:20pm - 3:50pm
ID: 251 / MS-49: 3 Biological and macromolecular crystallography Invited lecture to session MS: Protein design and engineering Keywords: protein cage, virus, nanoparticle, crystal, SAXS Protein cage directed nanoparticle superlattices Aalto University, Espoo, Finland 3:50pm - 4:10pm
ID: 166 / MS-49: 4 Biological and macromolecular crystallography Oral/poster MS: Structural biology of enzymes, mechanism and regulation, Protein design and engineering Keywords: Computational protein design, enzyme, folding energy landscape, X-ray crystallography, domain-swapping The bright-side and the dark-side of computational protein stabilization 1Masaryk University, Brno, Czech Republic; 2International Clinical Research Center, St. Anne’s University Hospital Brno, Czech Republic 4:10pm - 4:30pm
ID: 835 / MS-49: 5 Biological and macromolecular crystallography Poster MS: Protein design and engineering Keywords: plant-type L-asparaginase; random mutagenesis, protein engineering, Ntn-hydrolase, thermal stability Enzyme engineering by random mutagenesis: structural and functional studies of modified plant-type L-asparaginase (EcAIII) 1Jagiellonian University, Faculty of Chemistry, Krakow, Poland; 2Jagiellonian University, Faculty of Biochemistry, Biophysics and Biotechnology, Krakow, Poland; 3Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland; 4Faculty of Chemistry, A. Mickiewicz University, Poznan, Poland 4:30pm - 4:50pm
ID: 1092 / MS-49: 6 Biological and macromolecular crystallography Oral/poster MS: Protein design and engineering Keywords: Computational design, symmetry, crystallography Computational design of symmetric eight and nine-bladed β-propellers KU Leuven, Heverlee, Belgium 4:50pm - 5:10pm
ID: 215 / MS-49: 7 Bursary application Poster MS: Protein design and engineering Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: macromolecular crystallography; fluorescent proteins; reversibly switchable Structural evidence for the bleaching caused by oxygen in rsCherry 1Biochemistry, Molecular and Structural Biology; Department of Chemistry, KU Leuven, Belgium; 2Chemistry of Biological Processes, Collège de France, Paris, France; 3Laboratory of Molecular Bacteriology, Rega Institute, KU Leuven, Belgium Bibliography
1.Le, Thi Hong Hai, Thi Ngoc Vinh Nguyen, Tuan Cuong Ngo, Thi Yen Hang Bui, Thi Da Tran, Huu Dinh Nguyen, and Luc Van Meervelt. "Synthesis, Crystal Structures, Fluorescence and Quantum Chemical Investigations of some Multi-Substituted Quinoline Derivatives." Journal of Fluorescence 31, no. 1 (2021): 195-208. 2.Dinh, Nguyen Huu, Vu Thi Len, Bui Thi Yen Hang, and Le Thi Hoa. "Synthesis and Reactions of a New Quinone Quinoline 7‐(Carboxymethoxy)‐3‐sulfoquinoline‐5, 6‐dione." Journal of Heterocyclic Chemistry 56, no. 3 (2019): 1048-1054. 3.Bui, T. Y. H., C. Nguyen Thi Thanh, and L. Van Meervelt. "{4, 5-Dimethoxy-2-[(2, 3-η)-2-prop-2-en-1-yl] phenyl-κC1}(8-hydroxyquinolinato-κN, O) platinum (II)." IUCrData 1, no. 1 (2016): x152428. 4.Bui, T. Y. H., C. Nguyen Thi Thanh, and L. Van Meervelt. "trans-Dichlorido {3, 4-dimethoxy-2-[(2, 3-η)-prop-2-en-1-yl] benzene}(pyridine-κN) platinum (II)." IUCrData 1, no. 1 (2016): x152176. 5.Dinh, Nguyen Huu and Bui Thi Yen Hang. “Interaction of 1-metylquinolinium-3-sulfonates with some nucleophiles”. Vietnam Journal of Chemistry 53, no. 6e12 (2015): 33-37. 6.Dinh, Nguyen Huu, Le Van Co, Bui Thi Yen Hang and La Thi Trang. “Unprecedented reaction at a polysubstituted N-methylquinoline”. Vietnam Journal of Chemistry 51, no. 6ABC (2013): 151-155. 7.Dinh, Nguyen Huu, Le Van Co, Vu Thi Len and Bui Thi Yen Hang. “Synthesis of a new quinolinequinone: 7-(carboxymethoxy)-3-sulfoquinolin-5,6-dione”. Vietnam Journal of Chemistry 50, no. 6 (2012): 772-776. |
6:10pm - 7:00pm | KN-21: How limitless antibodies are generated by V(D)J recombination Location: Club A Session Chair: Marcin Nowotny Wei Yang |
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ID: 152
/ KN-21: 1
Plenary and keynote Invited lecture to session Keywords: RAG1-RAG2; 12-RSS; 23-RSS;antigen receptor, site-specific recombination How limitless antibodies are generated by V(D)J recombination 1National Institutes of Health, USA, Bethesda, United States of America; 2Pohang University, South Korea |
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 Session Chair: Pavlína Řezáčová Udo Heinemann |
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ID: 1436
/ KN-24: 1
Plenary and keynote Invited lecture to session Keywords: RNA-binding protein, immune homeostasis, protein-RNA interaction, crystal structure Regulation of gene expression by transcription factors and RNA-binding proteins Max Delbrück Center for Molecular Medicine, Berlin, Germany |
10:20am - 12:45pm | MS-58: Ultra-high resolution macromolecular crystallography and quantum biocrystallography Location: Club A Session Chair: Christian Jelsch Session Chair: Alexander Wlodawer Invited: Paulina Dominiak (Poland), Maciej Kubicki (Poland) |
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10:20am - 10:25am
ID: 1789 / MS-58: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 751 / MS-58: 2 Biological and macromolecular crystallography Invited lecture to session MS: Ultra-high resolution macromolecular crystallography and quantum biocrystallography Keywords: Z-DNA; ultra-high resolution; multipolar model; disorder Experimental studies of the details of electron density distribution in a Z-DNA hexamer: new insights, new problems 1Faculty of Chemistry, Adam Mickiewicz University in Pozna, Poznan, Poland; 2Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland; 3Laboratoire de Cristallographie, Institut Jean Barriol, Université de Lorraine, Nancy, Franc; 4Macromolecular Crystallography Laboratory, National Cancer Institute, Argonne National Laboratory, Argonne, USA 10:55am - 11:25am
ID: 1378 / MS-58: 3 Biological and macromolecular crystallography Invited lecture to session MS: Ultra-high resolution macromolecular crystallography and quantum biocrystallography Keywords: quantum crystallography; structure refinement; X-ray diffraction, electron diffraction; 3D ED, microED, aspherical scattering factors; multipolar model; TAAM; MATTS; UBDB; ELMAM2 Moving quantum crystallography from sub-atomic XRD to near-atomic 3D ED Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Warszawa, Poland 11:25am - 11:50am
ID: 1059 / MS-58: 4 Biological and macromolecular crystallography Oral/poster MS: Ultra-high resolution macromolecular crystallography and quantum biocrystallography, Structural biology of enzymes, mechanism and regulation Keywords: Lipase; Fatty acid/metabolism; Lipids/chemistry; Enzymology/Enzyme regulation; ultra-high resolution; interfacial enzymology; tributyrin; CALB. 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 Università Politecnica Delle Marche, Ancona, Italy 11:50am - 12:15pm
ID: 1308 / MS-58: 5 Biological and macromolecular crystallography Poster MS: Ultra-high resolution macromolecular crystallography and quantum biocrystallography Keywords: Photoreduction, Thioredoxin, Tryparedoxin, Ultra-high resolution Investigating the redox cycle of tryparedoxin at ultra-high resolution University of Wuerzburg, Wuerzburg, Germany 12:15pm - 12:40pm
ID: 638 / MS-58: 6 Biological and macromolecular crystallography Oral/poster MS: Ultra-high resolution macromolecular crystallography and quantum biocrystallography, Validation of cryoEM structures and maps, CryoEM for macromolecules - from single particles to microcrystals Keywords: quantum crystallography, electron diffraction, Cryo-EM, electrostatic potential, MATTS Theoretical electrostatic potential maps of macromolecules calculated with multipolar electron scattering factors Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Warsaw, Poland |
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 Session Chair: Marie Colmont Session Chair: Sergey V. Krivovichev |
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2:45pm - 2:50pm
ID: 1800 / MS-69a: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:15pm
ID: 803 / MS-69a: 2 Materials and minerals Oral/poster MS: Modular structure of inorganic and mineral compounds, Complex structures of minerals and inorganic materials Keywords: monovalent gallium, lone pair effects, polyanions, modular structures Tellurides with monovalent Ga and In – from chains to networks 1Leipzig University, Leipzig, Germany; 2University of Amsterdam, Amsterdam, Netherlands 3:15pm - 3:40pm
ID: 512 / MS-69a: 3 Bursary application Oral/poster MS: Complex structures of minerals and inorganic materials Keywords: Bond-length dispersion analysis, bond-length variation, bond-topological asymmetry, materials design Elucidation and quantification of the factors underlying bond-length variation in inorganic solids for the design of non-oxide materials with superior functional properties 1Geophysical Laboratory, Carnegie Institution for Science, 5251 Broad Branch Rd. NW, Washington D.C., 20015 USA; 2Department of Geological Sciences, University of Manitoba, 125 Dysart Rd, Winnipeg, MB, Canada Bibliography
In review: [12] Gagné*, O.C. On the crystal chemistry of inorganic nitrides: Crystal-chemical parameters and opportunities in the exploration of their compositional space. [11] Gagné*, O.C., Hawthorne, F.C. Bond-length distributions for ions bonded to oxygen: Results for the transition metals and quantification of the factors underlying bond-length variation in inorganic solids. Published 2018 [10] Gagné*, O.C., Mercier, P.H.J. and Hawthorne, F.C. (2018). A priori bond-valence and bond-length calculations in rock-forming minerals. Acta Crystallographica B74, 470-482. (INVITED ARTICLE: special issue on mineralogical crystallography). [9] Gagné, O.C., Hawthorne*, F.C., Shannon, R.D. and Fischer, R.X. (2018). Empirical electronic polarizabilities: deviations from the additivity rule. I. M2+SO4 · nH2O, bloedite Na2M2+(SO4)2 · 4H2O, and kieserite-related minerals with sterically strained structures. Physics and Chemistry of Minerals 45, 303-310. [8] Gagné*, O.C. and Hawthorne, F.C. (2018). Bond-length distributions for ions bonded to oxygen: Results for the non-metals and discussion of lone-pair stereoactivity and the polymerization of PO4. Acta Crystallographica B74, 79-96. [7] Gagné*, O.C. and Hawthorne, F.C. (2018). Bond-length distributions for ions bonded to oxygen: Metalloids and post-transition metals. Acta Crystallographica B74, 63-78. [6] Gagné*, O.C. (2018). Bond-length distributions for ions bonded to oxygen: Results for the lanthanides and actinides and discussion of the f-block contraction. Acta Crystallographica B74, 49-62. 2017 [5] Gagné*, O.C. and Hawthorne, F.C. (2017). Mean bond-length variations in crystals for ions bonded to oxygen. Acta Crystallographica B73, 1019-1031. (LEAD ARTICLE) [4] Gagné*, O.C. and Hawthorne, F.C. (2017). Empirical Lewis-acid strengths for 135 cations bonded to oxygen. Acta Crystallographica B73, 956-961. 2016 [3] Gagné, O.C. and Hawthorne*, F.C. (2016). Chemographic exploration of the milarite-type structure. Canadian Mineralogist 54, 1229-1247. [2] Gagné*, O.C. and Hawthorne, F.C. (2016). Bond-length distributions for ions bonded to oxygen: Alkali and Alkaline-earth Metals. Acta Crystallographica B72, 602-625. 2015 [1] Gagné*, O.C. and Hawthorne, F.C. (2015). Comprehensive derivation of bond-valence parameters for ion pairs involving oxygen. Acta Crystallographica B71, 562-578. 3:40pm - 4:05pm
ID: 734 / MS-69a: 4 Chemical crystallography, crystal structures Oral/poster MS: Complex structures of minerals and inorganic materials Keywords: High pressure synthesis, metallic oxides, hexagonal perovskites, Rh oxides Synthesis and investigation of the 4H and newly discovered 6H perovskite polymorphs of BaRhO3 between 7 – 22 GPa. 1Institute for Chemical Research, Kyoto University, Kyoto, Japan; 2Key Laboratory of Applied Chemistry, School of Environmental and Chemical Engineering, Yanshan University, Qinhuangdao, P.R. China; 3Hakubi Center for Advanced Research, Kyoto University, Kyoto, Japan 4:05pm - 4:30pm
ID: 791 / MS-69a: 5 Materials and minerals Oral/poster MS: Perovskites, Modular structure of inorganic and mineral compounds, Complex structures of minerals and inorganic materials Keywords: pervoskites, hybrid frameworks, negative thermal expansion, spectroscopy Enhancing the Chemical Flexibility of Hybrid Perovskites by Introducing Divalent Ligands 1School of Physical Sciences, University of Kent, Canterbury, Kent, United Kingdom; 2Department of Materials Engineering, Indian Institute of Science (IISc), Bangalore, Karnataka, India; 3Centre for X-ray Analytics, Empa – Swiss Federal Laboratories for Materials Science and Technology, Dübendorf, Switzerland 4:30pm - 4:55pm
ID: 442 / MS-69a: 6 Bursary application Oral/poster MS: Composite and Incommensurate modulated crystals: structural and physical properties, Complex structures of minerals and inorganic materials Keywords: Aperiodic crystals; Incommensurate structures; modulation wavefunction; lock-in transition; single crystal XRD Temperature dependent structural studies of incommensurately modulated Rb2ZnCl4 1Laboratory of Crystallography, University of Bayreuth, 95447 Bayreuth, Germany; 2DESY, Notkestrasse 85, 22607 Hamburg, Germany; 3Univ. Grenoble Alpes, CNRS, Grenoble INP, BP 75, 38402 Saint Martin d'Hères Cedex, France Bibliography
D’Souza, S.D., Kotla, S.R., Bhatnagar, A.K., Kumar, A.S. (2017). AIP Conference Proceedings, 1832, 110061. Rekis, T., Schaller, A.M., Kotla, S.R., Schoenleber, A., Noohinejad, L., Tolkiehn, M., Paulmann, C., Smaalen, S. van (2021). IUCrJ, 8, 139–147. |
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 Session Chair: Julie Bouckaert Glaucius Oliva |
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ID: 632
/ KN-25: 1
Plenary and keynote Invited lecture to session Keywords: SARS-CoV-2, main protease, maturation process, inhibitors A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process 1Institute of Physics of Sao Carlos, University of Sao Paulo, Brazil; 2BioMAX, MAX IV Laboratory, Lund, Sweden; 3Brazilian Synchrotron Light Laboratory (LNLS), Campinas, Brazil |
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 Session Chair: Julie Bouckaert Arockiasamy Arulandu |
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ID: 1878
/ KN-30: 1
Plenary and keynote Invited lecture to session Keywords: Atherosclerosis, ox-LDL receptor, drug discovery, LOX-1, scavenger receptor Structure guided inhibitor discovery targeting a membrane receptor involved in atherosclerosis 1International Centre for Genetic Engineering and Biotechnology, New Delhi, India; 2University of Arkansas for Medical Sciences and the Central Arkansas Veterans Healthcare System, Little Rock, Arkansas, United States; 3University of Arkansas for Medical Sciences, Little Rock, Arkansas, United States. |
10:20am - 12:45pm | MS-74: Structural biology of receptors, signaling and membrane proteins Location: Club A Session Chair: SUSAN KAY BUCHANAN Session Chair: Michael Parker Invited: Robert Keenan (USA), Isabel Moraes (UK) |
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10:20am - 10:25am
ID: 1805 / MS-74: 1 Introduction Oral/poster Introduction to session 10:25am - 10:55am
ID: 1004 / MS-74: 2 Biological and macromolecular crystallography Invited lecture to session MS: Ultra-high resolution macromolecular crystallography and quantum biocrystallography, Structural biology of receptors, signaling and membrane proteins Keywords: Membrane Proteins, Photoreceptor, Receptor sensitization, Microbial rhodopsins Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization 1National Physical Laboratory, Teddington, TW11 0LW, UK; 2Biochemistry Department, University of Oxford, South Parks Road, Oxford, OX1 3QU, UK; 3Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, UK 10:55am - 11:25am
ID: 1383 / MS-74: 3 Biological and macromolecular crystallography Invited lecture to session MS: Structural biology of receptors, signaling and membrane proteins Keywords: membrane protein biogenesis, cryo-EM, translocon, multi-pass, TMCO1 An ER translocon for multi-pass membrane protein biogenesis 1University of Chicago, Chicago, United States of America; 2University of California, San Francisco, United States of America 11:25am - 11:45am
ID: 1296 / MS-74: 4 All topics Oral/poster MS: CryoEM for macromolecules - from single particles to microcrystals, Structural biology of receptors, signaling and membrane proteins Keywords: GPCR, melanocortin, obesity, cryo-EM To eat or not to eat: Cryo-EM structure of melanocortin receptor 4 reveals mechanism of a “hunger switch” initiating satiety signaling. 1Department of Chemical and Structural Biology, Weizmann Institute of Science, Rehovot, Israel; 2Department of Developmental Biology and Cancer Research, The Hebrew University-Hadassah Medical School, Jerusalem, Israel; 3Centre for Endocrinology, William Harvey Research Institute, Barts and the London School of Medicine, Queen Mary, University of London, Charterhouse Square, London, UK; 4Faculty of Agriculture, The Hebrew University, Israel 11:45am - 12:05pm
ID: 809 / MS-74: 5 Biological and macromolecular crystallography Oral/poster MS: Structural biology of receptors, signaling and membrane proteins Keywords: Crystallography, Membrane Trafficking, Multidisciplinary, Mass Spectrometry, ISOLDE Unravelling the molecular architecture of the Commander assembly 1The University of Queensland, Brisbane, Australia; 2University of Melbourne, Melbourne, Australia; 3Cambridge Institute fo Medical Research, Cambridge, United Kingdom 12:05pm - 12:25pm
ID: 466 / MS-74: 6 Bursary application Poster MS: CryoEM for macromolecules - from single particles to microcrystals, Integrative structural biology: The next 50 years of the Protein Data Bank, Structural biology of receptors, signaling and membrane proteins Keywords: pore-forming toxin, bacterial proteins, membrane proteins, protein-membrane interactions Two-component pore formation by the novel CDCL proteins ALY short and ALY long from Elizabethkingia anophelis 1Department of Biochemistry and Molecular Biology, Bio21 Molecular Science and Biotechnology Institute, University of Melbourne, Parkville, VIC, 3010, Australia; 2ACRF Rational Drug Discovery Centre, St. Vincent’s Institute of Medical Research, Fitzroy, VIC 3065, Australia ; 3Department of Microbiology and Immunology, University of Oklahoma, Health Sciences Center, Oklahoma City, OK 73104, USA Bibliography
Christie, M.P., Johnstone, B.A., Tweten, R.K., Morton, C.J., Parker, M.W. (2018). Cholesterol-dependent cytolysins: from water-soluble state to membrane pore. Biophys Rev, 10: 1337. https://doi.org/10.1007/s12551-018-0448-x 12:25pm - 12:45pm
ID: 689 / MS-74: 7 Biological and macromolecular crystallography Oral/poster MS: Structural biology of receptors, signaling and membrane proteins Keywords: Synergy, binding cooperativity, supramolecular ligands, structural dynamics Mechanistic insights into the synergistic activation ofthe RXR–PXR heterodimer by endocrinedisruptor mixtures 1Center for Structural Biology, Montpellier, France; 2Laboratoire de Spectrométrie de Masse Bioorganique, Strasbourg, France; 3Institut de Recherche en Cancérologie, Montpellier, France; 4Muséum National d'Histoire Naturelle, Paris, France |
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 Session Chair: Stephen Neidle Session Chair: Charles Bond Invited: Millie Georgiadis (USA), Liliya Yatsunyk (USA) |
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2:45pm - 2:50pm
ID: 1812 / MS-81: 1 Introduction Oral/poster Introduction to session 2:50pm - 3:20pm
ID: 169 / MS-81: 2 Biological and macromolecular crystallography Invited lecture to session MS: Nucleic acids and protein - nuclear acid interactions Keywords: G-quadruplex DNA, i-motif, X-ray crystallography, ligand binding Non-canonical DNA structures and their interactions with small molecule ligands Swarthmore College, 500 College Ave, Swarthmore, PA, United States of America 3:20pm - 3:50pm
ID: 1564 / MS-81: 3 Biological and macromolecular crystallography Invited lecture to session MS: Nucleic acids and protein - nuclear acid interactions Keywords: Alien DNA; crystal structure; helical form; host-guest; unnatural base pair Structural properties of Alien DNA, an alternative genetic system 1Indiana University School of Medicine, Indianapolis, Indiana, United States of America; 2Foundation for Applied Molecular Evolution, Alachua, Florida, United States of America 3:50pm - 4:10pm
ID: 849 / MS-81: 4 Biological and macromolecular crystallography Oral/poster MS: Nucleic acids and protein - nuclear acid interactions Keywords: APE1, DNA repair, Exonuclease, Protein-Nucleic Acid Interaction, Protein-DNA complex APE1 Exonuclease Distinguishes Various DNA Substrates by an Induced Space-Filling Mechanism. 1Department of Biological Science and Technology, National Yang Ming Chiao Tung University, Hsinchu 30068, Taiwan; 2Institute of Molecular Medicine and Bioengineering, National Chiao Tung University, Hsinchu 30068, Taiwan; 3Department of Microbiology and Immunology, College of Medicine, National Cheng Kung University, Tainan, Taiwan; 4Institute of Bioinformatics and Systems Biology, National Chiao Tung University, Hsinchu, 30068, Taiwan 4:10pm - 4:30pm
ID: 738 / MS-81: 5 Bursary application Oral/poster MS: Nucleic acids and protein - nuclear acid interactions, Structural biology of viruses - in memory of Michael Rossmann Special sessions: Exemplary practice in chemical, biological and materials database archiving Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics), General (if it does not fit to any specific topics nor areas) Keywords: Hereditary breast cancer, BRCA1, BRCT, DNA binding region Structural characterization of clinically reported missense mutations identified in BRCA1 Tata Memorial Centre Advanced Centre for Treatment, Research and Education in Cancer, Mumbai, India Bibliography
Manuscript under preparation 4:30pm - 4:50pm
ID: 1306 / MS-81: 6 Biological and macromolecular crystallography Oral/poster MS: Nucleic acids and protein - nuclear acid interactions, Macromolecular machines and hybrid methods to crystallography Keywords: riboswitch, crystal phase transition, time-resolved crystallography, conformational space Solid-solid phase transition in adenine riboswitch crystals driven by large conformational changes induced by ligand 1Center for Structural Biology, Centre for Cancer Research, National Cancer Institute, Frederick, MD-21702, USA.; 2Optical Microscopy and Analysis Laboratory, Cancer Research Technology Program, Frederick National Laboratory for Cancer Research, Frederick, MD 21702, USA.; 3X-ray Science Division, Argonne National Laboratory, Lemont, IL 60439, USA ID: 1500
/ MS-81: 7
Biological and macromolecular crystallography Poster MS: Nucleic acids and protein - nuclear acid interactions, Structural biology of eukaryotic immune systems, Structural biology of receptors, signaling and membrane proteins Keywords: crystal structure; immune system; nucleic acid Molecular mechanism of self-antigen recognition by the ligand binding domain of B cell inhibitory co-receptor CD72 1Department of Structural Biology, Medical Research Institute, Tokyo Medical and Dental University, Tokyo, Japan; 2RIKEN SPring-8 Center, Hyogo, Japan; 3Department of Immunology, Medical Research Institute, Tokyo Medical and Dental University, Tokyo, Japan |
6:10pm - 7:00pm | KN-33: Overview of Global Neutron Sources, Instruments and Initiatives Location: Club A Session Chair: Jiri Kulda Ken Andersen |
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Date: Saturday, 21/Aug/2021 | |
9:00am - 9:50am | KN-34: Fabrication and Characterization of Inhomogeneity-free Polymer Gels Location: Club A Session Chair: Marijana Đaković Mitsushiro Shibayama |
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ID: 404
/ KN-34: 1
Plenary and keynote Invited lecture to session Keywords: polymer gels. tetra-PEG gel. small angle neutron scattering. random phase approximation Fabrication and characterization of inhomogeneity-free polymer gels 1Comprehensive Research Organization for Science and Society, Tokai, Japan; 2The University of Tokyo, Kashiwa, Japan |
10:20am - 12:45pm | MS-92 (34b): Structural biology of enzymes, mechanism and regulation II Location: Club A Session Chair: Mirjam Czjzek |
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10:20am - 10:50am
ID: 1274 / MS-92 (34b): 1 Biological and macromolecular crystallography Invited lecture to session MS: Structural biology of enzymes, mechanism and regulation Keywords: transposase enzymes; protein-DNA complex; antibiotic resistance transfer; crystal structure and cryoEM Structural insights into the transposition of antibiotic resistance 1University of Geneva, Geneva, Switzerland; 2Structural and Computational Biology Unit, European Molecular Biology Laboratory, Heidelberg, Germany; 3European Bioinformatics Institute, European Molecular Biology Laboratory, Hinxton, UK 10:50am - 11:20am
ID: 1360 / MS-92 (34b): 2 Biological and macromolecular crystallography Oral/poster MS: Nucleic acids and protein - nuclear acid interactions, Structural biology of enzymes, mechanism and regulation Keywords: DNA methyltransferase, N6 adenine methylation Extraordinary Structures of Orphan Methyltransferases with Their Substrate DNA Department of Epigenetics and Molecular Carcinogenesis, The University of Texas -M.D. Anderson Cancer Center, Houston TX, USA 11:20am - 11:40am
ID: 1313 / MS-92 (34b): 3 Biological and macromolecular crystallography Oral/poster MS: Structural biology of receptors, signaling and membrane proteins Keywords: pseudokinase, glutamylation, Legionella, effectors, SidJ Structural and mechanistic basis for protein glutamylation by the kinase fold 1UT Southwestern Medical Center, Dallas, United States of America; 2Warsaw University of Life Sciences, Warsaw, Poland 11:40am - 12:00pm
ID: 847 / MS-92 (34b): 4 Biological and macromolecular crystallography Oral/poster MS: Structural biology of enzymes, mechanism and regulation Posters only: General (if it does not fit to any specific topics nor areas) Keywords: ATP hydrolysis; crystal structures; helicase; MD simulation; TBEV Mechanism of RNA stimulated ATP hydrolysis by tick-borne encephalitis virus NS3 helicase Faculty of Science, University of South Bohemia, Ceske Budejovice, Czech Republic 12:00pm - 12:20pm
ID: 165 / MS-92 (34b): 5 Biological and macromolecular crystallography Oral/poster MS: Structural biology of enzymes, mechanism and regulation Keywords: Denitrification, pathogenic infection, Neisseria meningitidis; monomer-dimer transition, enzyme activity; Quinol-dependent Nitric Oxide Reductases are dimers in cryoEM structures University of Liverpool, Liverpool, United Kingdom 12:20pm - 12:40pm
ID: 1132 / MS-92 (34b): 6 All topics Oral/poster MS: Structural biology of enzymes, mechanism and regulation Keywords: Difference density maps; Extrapolated structure factors; Time-resolved crystallography Interactive GUI for the calculation of Fobs-Fobs electron density difference maps and extrapolated structure factors based on the cctbx toolbox 1Institut de Biologie Structurale, Université de Grenoble Alpes, CEA, CNRS, 38044 Grenoble, France; 2Institut Laue-Langevin, 38044 Grenoble, France; 3Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, 69120 Heidelberg, Germany |
2:45pm - 5:10pm | MS-101 (18b): Phase transitions in complex materials (structure and magnetism) II Location: Club A Session Chair: Yuichi Shimakawa Session Chair: Alexandra Gibbs |
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2:45pm - 3:05pm
ID: 1130 / MS-101 (18b): 1 All topics Oral/poster MS: Phase transitions in complex materials (structure and magnetism) Keywords: metal-insulator transition, lacunar spinel, DFT, machine learning Towards an iterative exploration of novel materials exhibting electronic phase transitions Northwestern University, Evanston, United States of America 3:05pm - 3:25pm
ID: 950 / MS-101 (18b): 2 Physics and fundamental crystallography Oral/poster MS: Phase transitions in complex materials (structure and magnetism) Posters only: Structure and phase transitions in advanced materials, Physical and fundamental crystallography (if it does not fit to any specific topics) Keywords: radiation damage, negative X-ray expansion, negative thermal expansion, phase transitions Negative X-ray expansion in cadmium cyanide 1Department of Chemistry, Cambridge, U. K, CB2 1EW; 2Inorganic Chemistry Laboratory , Oxford, U. K., OX1 3QR; 3Diamond Light Source, Didcot, Oxfordshire OX11 0DE, U. K; 4Nanochemistry Department, Max Planck Institute for Solid State Research, Stuttgart, Germany, 70569; 5ISIS Facility, Didcot, Oxfordshire, U. K., OX11 0QX 3:25pm - 3:45pm
ID: 924 / MS-101 (18b): 3 Physics and fundamental crystallography Oral/poster MS: Phase transitions in complex materials (structure and magnetism) Keywords: phosphate, re-entrant phase transition, ab-initio structure solution, complex crystal structure Crystal structure, complex phase diagram and re-entrant phase transition in NaSrPO4 Malvern Panalytical, Almelo, Netherlands, The 3:45pm - 4:05pm
ID: 1030 / MS-101 (18b): 4 All topics Oral/poster MS: Phase transitions in complex materials (structure and magnetism) Posters only: Materials and minerals (if it does not fit to any specific topics), Chemical crystallography, crystal structures (if it does not fit to any specific topics) Keywords: strontium titanate, strontium orthotitanate, tetrahedral titanium coordination, reconstructive phase transition Crystal structure of a new polymorph of Sr2TiO4 with tetrahedral titanium University of Geneva, Quai Ernest-Ansermet 24, 1205 Geneva, Switzerland 4:05pm - 4:25pm
ID: 1110 / MS-101 (18b): 5 Physics and fundamental crystallography Oral/poster MS: Phase transitions in complex materials (structure and magnetism), Composite and Incommensurate modulated crystals: structural and physical properties Keywords: magnetocalorics, chemical control, magnetic materials, incommensurate Revisiting the crystal structure and magneto-elastic coupling in MnZnSb 1Department of Physics, University of Liverpool, United Kingdom; 2Department of Chemistry, University of Liverpool, United Kingdom; 3Institut Laue-Lengevin, France 4:25pm - 4:45pm
ID: 934 / MS-101 (18b): 6 All topics Oral/poster MS: Magnetic structures at extreme conditions and in extreme samples, Magnetic structures of novel and functional materials, Phase transitions in complex materials (structure and magnetism) Keywords: ε-Fe2O3, multiferroics, magnetic structures, magnetostructural coupling, nanoparticles Phase transitions and magnetic structures in Epsilon-Fe2O3 nanoparticles 1Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, Bellaterra, Spain; 2CELLS-ALBA synchrotron, Cerdanyola del Vallès, Spain; 3Instituto de Diseño para la Fabricación, Universitat Politècnica de València, Valencia, Spain 4:45pm - 5:05pm
ID: 918 / MS-101 (18b): 7 All topics Oral/poster MS: Phase transitions in complex materials (structure and magnetism), Complex structures of minerals and inorganic materials, 2D type crystals and their heterostructures Keywords: Layered materials, stacking, powder X-ray diffraction, Monte Carlo simulations, modelling Polytypism in layered AB2 solids 1Department of Chemistry, Imperial College London, London, United Kingdom; 2Inorganic Chemistry, University if Oxford, Oxford, United Kingdom |
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