Introduction to session

Janusz Bujnicki, Jiří Černý

RNA-Puzzles - the evaluation and automation of RNA 3D structure prediction

Zhichao Miao

A nucleic acid structural alphabet and conformational analyses at dnatco.datmos.org

Bohdan Schneider

Applications of residue contact predictions in structural biology.

Filomeno Sanchez Rodriguez, Ronan Keegan, Melanie Vollmar, Gwyndaf Evans, Daniel Rigden

Pepsi-SAXS/SANS - small-angle scattering-guided tools for integrative structural bioinformatics

Sergei Grudinin, Anne Martel, Sylvain Prevost

Refactoring the B-factor: intuitively extracting structural dynamics from macromolecular disorder

Nicholas M Pearce, Piet Gros

Computational modeling of RNA 3D structures and RNA-protein complexes, with the use of experimental data

Janusz Marek Bujnicki

Introduction to session

Bostjan Kobe, Savvas Savvides

Catching fire: inflammatory responses mediated by inflammasomes, caspases, and gasdermins

Zhonghua Liu, Chuanping Wang, Jie Yang, Tsan Sam Xiao

Structure of the activated ROQ1 resistosome directly recognizing the pathogen effector XopQ

Raoul Olivier Martin, Tiancong Qi, Haibo Zhang, Furong Liu, Miles King, Claire Toth, Eva Nogales, Brian Staskawicz

Structural mechanism of NAD+ cleavage by plant TIR domain

Wen Song

The structure of the marsupial γμ T cell receptor defines a third T cell lineage in vertebrates

Kim Morrissey, Marcin Wegrecki, Praveena Thirunavukkarasu, Victoria Hansen, Komagal Sivaraman, Sam Darko, Daniel Douek, Jamie Rossjohn, Robert Miller, Jerome Le Nours

Bacterial lipopolysaccharide recognition by surfactant protein D

Annette K Shrive, Jamie R Littlejohn, Harry M Williams, William Neale, Stacey Collister, Derek Hood, Stefan Oscarson, Jens Madsen, Howard Clark, Trevor J Greenhough

Molecular basis underpinning metabolite-mediated T-cell immunity

Wael Awad, Geraldine Ler, Jeffrey Y. W. Mak, Jérôme Le Nours, James McCluskey, Alexandra J. Corbett, David P. Fairlie, Jamie Rossjohn

Introduction to session

Michael Engel, Cesar Baban Pay Gómez

Atomic structures of Tsai-type icosahedral quasicrystals and approximants

Tsunetomo Yamada

How to determine thermodynamically stable soft matter quasicrystals efficiently?

Priya Subramanian, Daniel Ratliff, Alastair Rucklidge, Andrew Archer

The d-AlCuRh stability – the proof of the random-tiling hypothesis by the distribution moments analysis

Ireneusz Jozef Buganski, Radoslaw Strzalka, Janusz Wolny

Beyond Golay-Rudin-Shapiro

Shelomo Izhaq Ben-Abraham

Molecular dynamics simulation of complex alloy structures

JungWen Yeh, Kouji Tomita, Yuuta Imanari, Masaya Uchida

Atomic resolution holography for characterizing the local structure in quasicrystals

Jens R. Stellhorn, Shinya Hosokawa, Koji Kimura, Kouichi Hayashi, Natalie Boudet, Nils Blanc, Gilbert Chahine, Marc de Boissieu

Introduction to session

Frank Gabel, Masaaki Sugiyama

Motion of a Membrane Enzyme as Seen by SANS

Waqas Javed, Christine Ebel, Cedric Orelle, Jean-Michel Jault, Anne Martel

MD-SAXS: Hybrid method of molecular dynamics simulations and small-angle x-ray scattering experiments

Mitsunori Ikeguchi

Transient complexes of the Nsp7, Nsp8 and Nsp12 in SARS-CoV-2 replication transcription complex

Greg Hura

The dynamics and interactions of Scs proteins from Proteus mirabilis

Andrew Whitten, Furlong Emily, Choudhury Hassanul, Kurth Fabian, Duff Anthony, Martin Jennifer

Application of a lanthanide tag for evaluation of conformational states of a multidomain protein

Tomohide Saio, Hiroshi Nakagawa, Soya Hiramatsu, Mizue Asada, Honoka Kawamukai, Toshikazu Nakamura, Koichiro Ishimori

An Objective Metric to Guide Background Correction and Interepretation of Small Angle X-ray Scattering Data

Yunyun Gao, Timothy R. Stachowski, Edward H. Snell, Thomas D. Grant, Arwen R. Pearson

Introduction to session

Mirham Czjzek

Adventures in heparan sulfate degradation

Liang Wu, Zachary Armstrong, Casper de Boer, Vincent Lit, Gijs Ruijgrok, Uri Barash, Ilanit Boyango, Neta Ilan, Israel Vlodavsky, Hermen S Overkleeft, Gideon J Davies

High-resolution structure and reaction cycle of Fatty Acid Photodecarboxylase: anatomy of a crime scene

Damien Sorigue, Kyprianos Hadjidemetriou, Stéphanie Blangy, Guillaume Gotthard, Pierre Legrand, Didier Nurizzo, Antoine Royant, Catherine Berthomieu, Martin Weik, Tatiana Domratcheva, Klaus Brettel, Martin Vos, Ilme Schlichting, Pavel Muller, Fred Beisson, Pascal Arnoux

Structural insights into the enzymatic mechanism of lytic polysaccharide monooxygenases

Flora Meilleur

Structural studies on a unique glucosamine kinase unveil a novel enzyme family

Jose Antonio Manso, Daniela Nunes Costa, Sandra Macedo Ribeiro, Nuno Empadinhas, Pedro Jose Barbosa Pereira

Biosynthesis of mycobacterial methylmannose polysaccharides requires a unique 1-O-methyltransferase specific for 3-O-methylated mannosides

Jorge Ripoll-Rozada, Mafalda Costa, José Antonio Manso, Ana Maranha, Vanessa Miranda, André Sequeira, Maria Rita Ventura, Sandra Macedo-Ribeiro, Nuno Empadinhas, Pedro José Barbosa Pereira

Time-resolved serial femtosecond crystallography on photoswitchable fluorescent proteins

Kyprianos Hadjidemetriou

Introduction to session

Michael Landsberg, Dmitry Svergun

Structural biology of prokaryotic cell surfaces

Tanmay Bharat

Order from disorder in the sarcomere: FATZ forms a fuzzy complex and phase-separated macromolecular condensates with α-actinin

Kristina DJINOVIC CARUGO

Deciphering the role of unique bacterial transcription-associated factor HelD.

Tomáš Kovaľ, Tomáš Kouba, Petra Sudzinová, Jiří Pospíšil, Barbora Brezovská, Jarmila Hnilicová, Hana Šanderová, Martina Janoušková, Michaela Šiková, Petr Halada, Michal Sýkora, Ivan Barvík, Jiří Nováček, Mária Trundová, Jarmila Dušková, Tereza Skálová, URee Chon, Katsuhiko S. Murakami, Libor Krásný, Jan Dohnálek

Anomalous small-angle X-ray scattering on biological macromolecules at the P12 beamline of EMBL-Hamburg

Andrey Gruzinov, Martin Schroer, Clement Blanchet, Karen Manalastas-Cantos, Alexey Kikhney, Nelly Hajizadeh, Florian Wieland, Florian Schulz, Daniel Franke, Cy Jeffries, Dmitri Svergun

An asymmetric structure of the filament is key to inducing flagellar curvature and enabling motility in the Leptospira spirochete

Fabiana San Martin, Kimberley H Gibson, Felipe Trajtenberg, Megan R Brady, Elsio A Wunder, Mathieu Picardeau, Ariel Mechaly, Albert I Ko, Charles V Sindelar, Alejandro Buschiazzo

Structure of the 80S ribosome from Candida albicans revealed by integrative structural biology approach

Yuri Zgadzay, Olga Kolosova, Artem Stetsenko, Konstantin Usachev, Shamil Validov, Andrey Rogachev, Albert Guskov, Marat Yusupov

Introduction to session

Jozef Kožíšek, Veronica Paredes-Garcia

Semicoordination in Co(II) Single-Ion Magnets

Ivan Nemec, Ondrej Frantisek Fellner, Lubomír Havlíček, Radovan Herchel

Quantum crystallography of systems with agostic interactions

Lorraine Andrade Malaspina, Simon Grabowsky

Field-dependent magnetic anisotropy in a single-ion magnet measured using polarized neutron powder diffraction

Emil Andreasen Klahn, Andreas Munch Thiel, Iurii Kibalin, Arsen Gukasov, Jacob Overgaard

Through-space intervalence charge transfer in cobalt based Metal-organic framework: an experimental and theoretical study

AKASHDEEP NATH, SURYAKANTA TANTY, VENNAPUSA SIVARANJANA REDDY, SUKHENDU MANDAL

Magnetism of 2D Thiocyanates

Matthew James Cliffe, Madeleine Geers, Laura Cañadillas Delgado, Euan Bassey

High-Pressure Studies of Single-Molecule Magnets

Andreas Munch Thiel, Marie Steenberg Norre, Jacob Overgaard

Introduction to session

Sylvain Ravy, Sander van Smaalen

Investigating the modulated structures in the La(Nb,W)O_4+d family of oxide ion conductors

Stephen John Skinner, Cheng Li, Stevin Pramana

Revealing pinning and solitonic transport of sliding charge-density-waves by coherent and nano-XRD

Vincent Jacques

Polytelluride Anions in Deficient RETe_2–δ Structures – Superstructures and Bonding Analysis

Hagen Poddig, Kati Finzel, Thomas Doert

Hysteretic structural changes within five-layered modulated 10M martensites of Ni-Mn-Ga(-Fe)

Petr Veřtát, Ladislav Straka, Hanuš Seiner, Alexei Sozinov, Milan Klicpera, Oscar Fabelo, Oleg Heczko

The interplay of framework instability and electron-phonon coupling in a CDW system, the monophosphate tungsten bronze family.

Arianna Minelli, Elen Duverger-Nedellec, Alain Pautrat, Olivier Pérez, Marc De Boissieu, Marek Mihalkovic, Alexei Bosak, Andrew Goodwin

Ba₁₀Y₆Ti₄O₂₇ an aperiodic oxide with an unusually low thermal conductivity.

John Bleddyn Claridge

Introduction to session

Mois Ilia Aroyo, Margarida Henriques

Ba₃NbFe₃Si₂O₁₄:a model system to study magnetic chirality

LAURA CHAIX, RAFIK BALLOU, VIRGINIE SIMONET

Peculiar commensurate spin density wave in CeAuSb₂ under uniaxial stress

Fabio Orlandi, Richard Waite, Dmitry Sokolov, Raquel A. Ribeiro, Paul C. Canfield, Pascal Manuel, Dimitry D. Khalyavin, Clifford W. Hicks, Stephen M. Hayden

Absolute sign of the Dzyaloshinskii-Moriya interaction in weak ferromagnets disclosed by polarized neutron diffraction

Henrik Friedrich Thoma, Vladimir Hutanu, Georg Roth, Manuel Angst

Resonant x-ray scattering of magnetic anisotropy and orbital ordering in Ca₂RuO₄

Dan Porter

Low-temperature magnetic state of Ho₇Rh₃ studied by neutron diffraction and ac magnetic susceptibility

Artem Vaulin, Nikolay Baranov, Alexander Prekul, Takanori Tsutaoka, Andey Gubkin

Introduction to session

Marie Colmont, Sergei Krivovichev

Tracing electron density changes in langbeinite under pressure

Roman Gajda, Dongzhou Zhang, Jan Parafiniuk, Przemysław Dera, Krzysztof Woźniak

Experimental Electron Density Distribution and QTAIM Topological Analysis for the Perovskite Mineral: Sulphohalite – Na₆(SO₄)₂FCl

Agata Wróbel, Roman Gajda, Krzysztof Woźniak

Direct observation of pressure induced charge density redistribution at ions in zeolite, hsianghualite

Marcin Stachowicz, Roman Gajda, Krzysztof Woźniak

Structural studies of titanium and zirconium silicate ion-exchange materials for the treatment of nuclear waste

Jennifer Readman

Crystal and Magnetic structures and Dielectric phase transition of the novel Organic-Inorganic Hybrid Halometallate compound: (quinuclidine)[FeCl₄]

Palmerina González-Izquierdo, Oscar Fabelo, Imanol de Pedro del Valle, María Teresa Fernández-Díaz, Laura Canadillas-Delgado, Garikoitz Beobide, Manuel Sánchez Andújar

Introduction to session

Yu-Sheng Chen, Katarzyna N. Jarzembska

Synchrotron experiments revealing the similarities and differences between crystal and enzyme environmental effects on the electron densities of protease inhibitors and ibuprofen derivatives

Simon Grabowsky

Visualizing the multiscale structural dynamics of photoexcited molecular complexes with ultrafast hard X-rays

Sophie Canton

Ultrafast photocrystallographic and spectroscopic studies of selected coinage-metal coordination compounds

Piotr Łaski, Jakub Drapała, Radosław Kamiński, Krzysztof Durka, Katarzyna Natalia Jarzembska

Electronic structure of (MePh₃P)₂[Ni^II(bdtCl₂)₂] . (CH₃)₂SO and (MePh₃P)[Ni^III(bdtCl₂)₂], (bdtCl₂ - 3,6-dichlorobenzene-1,2-dithiolate)

Jozef Kozisek

Unusual carbonyl interactions in co-crystals of urea and dicarboxylic acids

Anna Malgorzata Krawczuk, Mariusz Mitoraj

Testing various variants of Hirshfeld atom like refinement.

Michał Chodkiewicz, Magdalena Woińska, Sylwia Pawlędzio, Leonid Patrikeev, Krzysztof Woźniak

Introduction to session

Alice Douangamath, Lisa J. Keefe

Fragment-Based Discovery of Orally Efficacious Allosteric Inhibitors of TNF-alpha

Kenton Longenecker

FragLites: a library of small molecules incorporating anomalous scatterers with applications in screening and protein interaction mapping

Martin E M Noble, Jane Endicott, Gemma Davison, Ian Hope, Mathew P Martin, Duncan Miller, Natalie Tatum, Max Temple, Shannon Turberville, James Sanderson, Dan Wood, Mike Waring

Using sound pulses to solve the crystal harvesting bottleneck

Yasmin Samara, Haley Brennan, Liam McCarthy, Mary Bollard, Denise Laspina, Jakub Wlodek, Stefanie Campos, Ramya Natarajan, Kazimierz Gofron, Sean McSweeney, Alexei Soares, Ludmila Leroy

High throughput approach to prepare high-density microcrystals in lipidic cubic phase for serial crystallography and fragment screening

Isabel Moraes, Danny Axford, Agata Butryn, Pierre Aller, Tristan Kwan, Peter J Judge

Fragment-based development of bacterial DsbA inhibitors as novel anti-virulence agents

Geqing Wang, Wesam Alwan, Matthew Bentley, Biswaranjan Mohanty, Bradley Doak, Rabeb Dhouib, Makrina Totsika, Benvenuto Capuano, Peter Scammells, Jennifer Martin, Martin Scanlon, Begoña Heras

Efficiently from Library to Hit – Crystallographic Fragment Screening in Berlin via Structurally Diverse Compound Libraries

Jan Wollenhaupt, Tatjana Barthel, Alexander Metz, Gustavo M.A. Lima, Dirk Wallacher, Elmir Jagudin, Tobias Krojer, Christian G. Feiler, Uwe Mueller, Gerhard Klebe, Manfred S. Weiss

Introduction to session

Chiara Massera, Ivan Halasz

Structural Insights into the Temperature-induced Color Changes of [(CH₃)₂NH₂]₂NiCl₄

Tomce Runcevski

Smart Molecular Materials: Synthesis, Structure and Properties

Helena Shepherd

Ultra-Fast Rotors and Light Emitting Ligands in Metal-Organic Frameworks

Angiolina Comotti, Silvia Bracco, Jacopo Perego, Charl X. Bezuidenhout, Sergio Piva, Piero Sozzani

Shape-memory effects in molecular crystals

Ejaz Ahmed, Durga Prasad Karothu, Mark Warren, Pance Naumov

Low-power photo-carving of dye-volatile cocrystals: The sublime cutting edge of light-responsive materials

Tristan Hermann Borchers, Filip Topic, Tomislav Friščić, Christopher John Barrett

Crystal locomotion driven by photo-triggered phase transition

Yuki Hagiwara, Akifumi Takanabe, Toru Asahi, Hideko Koshima