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Journal Of General Physiology, 156 Dec 2024 DOI: 10.1085/jgp.202413584 Biochemical and structural characterization of enzymes in the 4-hydroxybenzoate catabolic pathway of lignin-degrading white-rot fungi Eugene Kuatsjah, Alexa Schwartz, Michael Zahn, Konstantinos Tornesakis, Zoe A. Kellermyer, Morgan A. Ingraham, Sean P. Woodworth, Kelsey J. Ramirez, Paul A. Cox, Andrew R. Pickford, Davinia Salvachúa
Cell Reports, 43 Dec 2024 DOI: 10.1016/j.celrep.2024.115002 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Tethered heme domains in a triheme cytochrome allow for increased electron transport distances Benjamin W. Nash, Tomás M. Fernandes, Joshua A. J. Burton, Leonor Morgado, Jessica H. Van Wonderen, Dimitri A. Svistunenko, Marcus J. Edwards, Carlos A. Salgueiro, Julea N. Butt, Thomas A. Clarke
Protein Science, 33 Nov 2024 DOI: 10.1002/pro.5200 Journal Paper B21-High Throughput SAXS I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Viral sequence determines HLA-E-restricted T cell recognition of hepatitis B surface antigen Gavuthami Murugesan, Rachel L. Paterson, Rakesh Kulkarni, Veronica Ilkow, Richard J. Suckling, Mary M. Connolly, Vijaykumar Karuppiah, Robert Pengelly, Archana Jadhav, Jose Donoso, Tiaan Heunis, Wilawan Bunjobpol, Gwilym Philips, Kafayat Ololade, Daniel Kay, Anshuk Sarkar, Claire Barber, Ritu Raj, Carole Perot, Tressan Grant, Agatha Treveil, Andrew Walker, Marcin Dembek, Dawn Gibbs-Howe, Miriam Hock, Ricardo J. Carreira, Kate E. Atkin, Lucy Dorrell, Andrew Knox, Sarah Leonard, Mariolina Salio, Luis F. Godinho
Nature Communications, 15 Nov 2024 DOI: 10.1038/s41467-024-54378-9 The chemoreceptor controlling the Wsp‐like transduction pathway in Halomonas titanicae KHS3 binds and responds to purine derivatives Fernando E. Ramos Ricciuti, Anabel Soldano, M. Karina Herrera Seitz, Ana F. Gasperotti, Alexandra Boyko, Kirsten Jung, Marco Bellinzoni, María-Natalia Lisa, Claudia A. Studdert
The Febs Journal, 23 Nov 2024 DOI: 10.1111/febs.17320 Toxic behaviour: why do tuberculosis bacteria poison themselves? Diamond Light Source
Nov 2024 Science Highlight I04-Macromolecular Crystallography
Molecular dynamics and machine learning stratify motion-dependent activity profiles of S-layer destabilizing nanobodies Adam J Cecil, Adria Sogues, Mukund Gurumurthi, Kaylee S. Lane, Han Remaut, Alexander J. Pak
Pnas Nexus, Nov 2024 DOI: 10.1093/pnasnexus/pgae538 Design of a potent and selective dual JAK1/TYK2 inhibitor Oscar Mammoliti, Christel Menet, Céline Cottereaux, Javier Blanc, Ann De Blieck, Ghjuvanni Coti, Raphaël Geney, Line Oste, Koen Ostyn, Adeline Palisse, Evelyne Quinton, Benoit Schmitt, Monica Borgonovi, Isabelle Parent, Catherine Jagerschmidt, Steve De Vos, Béatrice Vayssiere, Miriam López-Ramos, Kenji Shoji, Reginald Brys, David Amantini, René Galien, Caroline Joannesse
Bioorganic & Medicinal Chemistry, 114 Nov 2024 DOI: 10.1016/j.bmc.2024.117932 The kinetoplastid kinetochore protein KKT23 acetyltransferase is a structural homolog of GCN5 that acetylates the histone H2A C-terminal tail Patryk Ludzia, Midori Ishii, Gauri Deak, Christos Spanos, Marcus D. Wilson, Christina Redfield, Bungo Akiyoshi
Structure, 8 Nov 2024 DOI: 10.1016/j.str.2024.10.031 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Broadening alloselectivity of T cell receptors by structure guided engineering Vijaykumar Karuppiah, Dhaval Sangani, Lorraine Whaley, Robert Pengelly, Pelin Uluocak, Ricardo J. Carreira, Miriam Hock, Pietro Della Cristina, Paulina Bartasun, Paula Dobrinic, Nicola Smith, Keir Barnbrook, Ross A. Robinson, Stephen Harper
Scientific Reports, 14 Nov 2024 DOI: 10.1038/s41598-024-75140-7 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access Structural aspects of Mycobacterium tuberculosis DNA gyrase targeted by novel bacterial topoisomerase inhibitors Maja Kokot, Martina Hrast Rambaher, Lipeng Feng, Lesley A Mitchenall, David M. Lawson, Anthony Maxwell, Tanya Parish, Nikola Minovski, Marko Anderluh
Acs Medicinal Chemistry Letters, Nov 2024 DOI: 10.1021/acsmedchemlett.4c00447 Covalent inhibitors of KEAP1 with exquisite selectivity Imre Fejes, Piroska Markacz, Janos Tatai, Monika Rudas, Petra Dunkel, Mario Gyuris, Miklos Nyerges, Nicolas Provost, Valérie Duvivier, Philippe Delerive, Virginie Martiny, Alexandra Bristiel, Brice Vidal, William Richardson, Elisabeth M. Rothweiler, Jeppe Tranberg-Jensen, Charlotte E. Manning, Melissa Sweeney, Rod Chalk, Kilian V. M. Huber, Alex N. Bullock, Andras Herner, Klaus Seedorf, Cedric Vinson, Csaba Weber, Andras Kotschy
Journal Of Medicinal Chemistry, Nov 2024 DOI: 10.1021/acs.jmedchem.4c02019 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Advancements in NMDA receptor-targeted antidepressants: from d-cycloserine discovery to preclinical efficacy of Lu AF90103 Erhad Ascic, Mauro Marigo, Laurent David, Kjartan Frisch Herrik, Morten Grupe, Charlotte Hougaard, Arne Mørk, Christopher R. Jones, Lassina Badolo, Kristen Frederiksen, Harrie C. M. Boonen, Henrik Sindal Jensen, John Paul Kilburn
Journal Of Medicinal Chemistry, 67 Nov 2024 DOI: 10.1021/acs.jmedchem.4c01477 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography The structure of an amyloid precursor protein/talin complex indicates a mechanical basis of Alzheimer’s disease Charles Ellis, Natasha L. Ward, Matthew Rice, Neil J. Ball, Pauline Walle, Chloé Najdek, Devrim Kilinc, Jean-Charles Lambert, Julien Chapuis, Benjamin T. Goult
Open Biology, 14 Nov 2024 DOI: 10.1098/rsob.240185 Optimization of potent, efficacious, selective and blood–brain barrier penetrating inhibitors targeting EGFR Exon20 insertion mutations Clare Thomson, Erin Braybrooke, Nicola Colclough, Nichola L. Davies, Nicolas Floc’h, Ryan Greenwood, Carine Guérot, David Hargreaves, Peter Johnstrom, Puneet Khurana, Demetrios H. Kostomiris, Songlei Li, Andrew Lister, Olivier Lorthioir, Scott Martin, William Mccoull, Neville J. Mclean, Lisa Mcwilliams, Jonathan P. Orme, Martin J. Packer, Stuart Pearson, Aisha M. Swaih, Sharon Tentarelli, Michael J. Tucker, Richard A. Ward, Stephen Wilkinson, Poppy Winlow, Isabel L. Wood
Journal Of Medicinal Chemistry, 67 Oct 2024 DOI: 10.1021/acs.jmedchem.4c01792 Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders Alena Kroupova, Valentina A. Spiteri, Zoe J. Rutter, Hirotake Furihata, Darren Darren, Sarath Ramachandran, Sohini Chakraborti, Kevin Haubrich, Julie Pethe, Denzel Gonzales, Andre J. Wijaya, Maria Rodriguez-Rios, Manon Sturbaut, Dylan M. Lynch, William Farnaby, Mark A. Nakasone, David Zollman, Alessio Ciulli
Nature Communications, 15 Oct 2024 DOI: 10.1038/s41467-024-52871-9 Journal Paper B21-High Throughput SAXS I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C1-related protein Lynette Nel, Katja Thaysen, Denisa Jamecna, Esben Olesen, Maria Szomek, Julia Langer, Kelly M. Frain, Doris Höglinger, Daniel Wüstner, Bjørn P. Pedersen
Life Science Alliance, 8 Oct 2024 DOI: 10.26508/lsa.202402990 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Body temperature protein X-ray crystallography at 37 °C: a rhenium protein complex seeking a physiological condition structure Francois J. F. Jacobs, John R. Helliwell, Alice Brink
Chemical Communications, 11 Oct 2024 DOI: 10.1039/D4CC04245J Structural insights into the initiation of free radical formation in the Class Ib ribonucleotide reductases in Mycobacteria Lumbini R. Yadav, Vasudha Sharma, Maheswaran Shanmugam, Shekhar C. Mande
Current Research In Structural Biology, 8 Oct 2024 DOI: 10.1016/j.crstbi.2024.100157 A low-barrier proton shared between two aspartates acts as a conformational switch that changes the substrate specificity of the β-lactamase BlaC Jing Sun, Aimee L. Boyle, Steffen Brünle, Marcellus Ubbink
International Journal Of Biological Macromolecules, 278 Oct 2024 DOI: 10.1016/j.ijbiomac.2024.134665 Structural dissection of the CMP-pseudaminic acid synthetase, PseF Tessa Keenan, Andrew R. Cowan, Emily K. P. Flack, Natasha E. Hatton, Abigail J. Walklett, Gavin H. Thomas, Glyn R. Hemsworth, Martin A. Fascione
Structure, 276 Oct 2024 DOI: 10.1016/j.str.2024.09.017 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Structural insight into rabies virus neutralization revealed by an engineered antibody scaffold Ashwini Kedari, Rommel Iheozor-Ejiofor, Petja Salminen, Hasan Uğurlu, Anna R. Mäkelä, Lev Levanov, Olli Vapalahti, Vesa P. Hytönen, Kalle Saksela, Ilona Rissanen
Structure, 161 Oct 2024 DOI: 10.1016/j.str.2024.10.002 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Inducible auto-phosphorylation regulates a widespread family of nucleotidyltransferase toxins Tom J. Arrowsmith, Xibing Xu, Shangze Xu, Ben Usher, Peter Stokes, Megan Guest, Agnieszka K. Bronowska, Pierre Genevaux, Tim R. Blower
Nature Communications, 15 Sept 2024 DOI: 10.1038/s41467-024-51934-1 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Expanding the inhibitor space of the WWP1 and WWP2 HECT E3 ligases Ashley P. Dudey, Jake M. Rigby, Gregory R. Hughes, G. Richard Stephenson, Thomas E. Storr, Andrew Chantry, Andrew M. Hemmings
Journal Of Enzyme Inhibition And Medicinal Chemistry, 39 Sept 2024 DOI: 10.1080/14756366.2024.2394895 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Rational structure-guided design of a blood stage malaria vaccine immunogen presenting a single epitope from PfRH5 Thomas E. Harrison, Nawsad Alam, Brendan Farrell, Doris Quinkert, Amelia M. Lias, Lloyd D. W. King, Lea K. Barfod, Simon J. Draper, Ivan Campeotto, Matthew K. Higgins
Embo Molecular Medicine, 178 Sept 2024 DOI: 10.1038/s44321-024-00123-0 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access An engineered ubiquitin binding coiled coil peptide Pernille Vosbein, Paula Paredes Vergara, Danny T. Huang, Andrew Thomson
Chemical Science, 14 Sept 2024 DOI: 10.1039/D4SC04204B PLK1-mediated phosphorylation cascade activates Mis18 complex to ensure centromere inheritance Pragya Parashara, Bethan Medina-Pritchard, Maria Alba Abad, Paula Sotelo-Parrilla, Reshma Thamkachy, David Grundei, Juan Zou, Christos Spanos, Chandni Natalia Kumar, Claire Basquin, Vimal Das, Zhaoyue Yan, Asma Abdullah Al-Murtadha, David A. Kelly, Toni Mchugh, Axel Imhof, Juri Rappsilber, A. Arockia Jeyaprakash
Science, 385 Sept 2024 DOI: 10.1126/science.ado8270 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Development of tunable mechanism-based carbasugar ligands that stabilize glycoside hydrolases through the formation of transient covalent intermediates Sandeep Bhosale, Sachin Kandalkar, Pierre-André Gilormini, Oluwafemi Akintola, Rhianna Rowland, Pal John Pal Adabala, Dustin King, Matthew C. Deen, Xi Chen, Gideon J. Davies, David J. Vocadlo, Andrew J. Bennet
Acs Catalysis, Sept 2024 DOI: 10.1021/acscatal.4c04549 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Selective labelling of GBA2 in cells with fluorescent β- d -arabinofuranosyl cyclitol aziridines Qin Su, Max Louwerse, Rob F. Lammers, Elmer Maurits, Max Janssen, Rolf G. Boot, Valentina Borlandelli, Wendy A. Offen, Daniël Linzel, Sybrin P. Schröder, Gideon J. Davies, Herman S. Overkleeft, Marta Artola, Johannes M. F. G. Aerts
Chemical Science, 15 Sept 2024 DOI: 10.1039/D3SC06146A Discovery and optimization of N-heteroaryl indazole LRRK2 inhibitors Kaitlyn M. Logan, Will Kaplan, Vladimir Simov, Hua Zhou, Derun Li, Luis Torres, Gregori J. Morriello, John J. Acton, Barbara Pio, Yi-Heng Chen, Mitchell H. Keylor, Rebecca Johnson, Solomon D. Kattar, Ryan Chau, Xin Yan, Michael Ardolino, Cayetana Zarate, Karin M. Otte, Rachel L. Palte, Tina Xiong, Spencer E. Mcminn, Shishi Lin, Santhosh F. Neelamkavil, Ping Liu, Jing Su, Laxminarayan G. Hegde, Janice D. Woodhouse, Lily Y. Moy, Paul J. Ciaccio, Jennifer Piesvaux, Matthias Zebisch, Clare Henry, John Barker, Harold B. Wood, Matthew E. Kennedy, Erin F. Dimauro, Matthew J. Fell, Peter H. Fuller
Journal Of Medicinal Chemistry, 42 Sept 2024 DOI: 10.1021/acs.jmedchem.4c01627 BRCA2 stabilises RAD51 and DMC1 nucleoprotein filaments through a conserved interaction mode James M. Dunce, Owen R. Davies
Nature Communications, 15 Sept 2024 DOI: 10.1038/s41467-024-52699-3 Journal Paper B21-High Throughput SAXS I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access Structure-based optimization of a series of covalent, cell active Bfl-1 inhibitors Simon C. C. Lucas, J. Henry Blackwell, Ulf Börjesson, David Hargreaves, Alexander G. Milbradt, Mark J. Bostock, Samiyah Ahmed, Kevin Beaumont, Tony Cheung, Sylvain Demanze, Andrea Gohlke, Carine Guerot, Afreen Haider, Vasudev Kantae, Gregory W. Kauffman, Olaf Kinzel, Lea Kupcova, Michael D. Lainchbury, Michelle L. Lamb, Leonardo Leon, Adeline Palisse, Claudia Sacchetto, R. Ian Storer, Nancy Su, Clare Thomson, John Vales, Yunhua Chen, Xiaolong Hu
Journal Of Medicinal Chemistry, Sept 2024 DOI: 10.1021/acs.jmedchem.4c01288 Structural basis for the rescue of hyperexcitable cells by the amyotrophic lateral sclerosis drug Riluzole David Hollingworth, Frances Thomas, Dana A. Page, Mohamed A. Fouda, Raquel Lopez-Rios De Castro, Altin Sula, Vitaliy B. Mykhaylyk, Geoff Kelly, Martin B. Ulmschneider, Peter C. Ruben, Bonnie A. Wallace
Nature Communications, 15 Sept 2024 DOI: 10.1038/s41467-024-52539-4 Journal Paper I04-Macromolecular Crystallography I23-Long wavelength MX I24-Microfocus Macromolecular Crystallography open access CEP192 localises mitotic Aurora-A activity by priming its interaction with TPX2 James Holder, Jennifer A. Miles, Matthew Batchelor, Harrison Popple, Martin Walko, Wayland Yeung, Natarajan Kannan, Andrew J. Wilson, Richard Bayliss, Fanni Gergely
The Embo Journal, 10 Sept 2024 DOI: 10.1038/s44318-024-00240-z Exploiting the bile acid binding protein as transporter of a Cholic Acid/Mirin bioconjugate for potential applications in liver cancer therapy Giusy Tassone, Samuele Maramai, Marco Paolino, Stefania Lamponi, Federica Poggialini, Elena Dreassi, Elena Petricci, Stefano Alcaro, Cecilia Pozzi, Isabella Romeo
Scientific Reports, 14 Sept 2024 DOI: 10.1038/s41598-024-73636-w HLA A*24:02–restricted T cell receptors cross-recognize bacterial and preproinsulin peptides in type 1 diabetes Garry Dolton, Anna Bulek, Aaron Wall, Hannah Thomas, Jade R. Hopkins, Cristina Rius, Sarah A. E. Galloway, Thomas Whalley, Li Rong Tan, Théo Morin, Nader Omidvar, Anna Fuller, Katie Topley, Md Samiul Hasan, Shikha Jain, Nirupa D’souza, Thomas Hodges-Hoyland, Owen B. Spiller, Deborah Kronenberg-Versteeg, Barbara Szomolay, Hugo A. Van Den Berg, Lucy C. Jones, Mark Peakman, David K. Cole, Pierre J. Rizkallah, Andrew K. Sewell
Journal Of Clinical Investigation, 134 Sept 2024 DOI: 10.1172/JCI164535 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access MEILB2-BRME1 forms a V-shaped DNA clamp upon BRCA2-binding in meiotic recombination Manickam Gurusaran, Jingjing Zhang, Kexin Zhang, Hiroki Shibuya, Owen R. Davies
Nature Communications, 15 Aug 2024 DOI: 10.1038/s41467-024-50920-x Journal Paper B21-High Throughput SAXS I04-Macromolecular Crystallography open access Activity of botulinum neurotoxin X and its structure when shielded by a non-toxic non-hemagglutinin protein Markel Martinez-Carranza, Jana Skerlova, Pyung-Gang Lee, Jie Zhang, Ajda Krc, Abhishek Sirohiwal, Dave Burgin, Mark Elliott, Jules Philippe, Sarah Donald, Fraser Hornby, Linda Henriksson, Geoffrey Masuyer, Ville R. I. Kaila, Matthew Beard, Min Dong, Pal Stenmark
Communications Chemistry, 7 Aug 2024 DOI: 10.1038/s42004-024-01262-8 Accelerated discovery of carbamate Cbl-b Inhibitors using generative AI models and structure-based drug design Taylor R. Quinn, Kathryn A. Giblin, Clare Thomson, Jeffrey A. Boerth, Gayathri Bommakanti, Erin Braybrooke, Christina Chan, Alex J. Chinn, Erin Code, Caifeng Cui, Yukai Fan, Neil P. Grimster, Keishi Kohara, Michelle L. Lamb, Lina Ma, Adelphe M. Mfuh, Graeme R. Robb, Kevin J. Robbins, Marianne Schimpl, Haoran Tang, Jamie Ware, Gail L. Wrigley, Lin Xue, Yun Zhang, Huimin Zhu, Samantha J. Hughes
Journal Of Medicinal Chemistry, Aug 2024 DOI: 10.1021/acs.jmedchem.4c01034 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Covalent penicillin-protein conjugates elicit anti-drug antibodies that are clonally and functionally restricted Lachlan P. Deimel, Lucile Moynie, Guoxuan Sun, Viliyana Lewis, Abigail Turner, Charles J. Buchanan, Sean A. Burnap, Mikhail Kutuzov, Carolin M. Kobras, Yana Demyaneko, Shabaz Mohammed, Mathew Stracy, Weston B. Struwe, Andrew J. Baldwin, James Naismith, Benjamin G. Davis, Quentin J. Sattentau
Nature Communications, 15 Aug 2024 DOI: 10.1038/s41467-024-51138-7 Structure-based design of bicyclic helical peptides that target the oncogene β-catenin Alejandro Yeste-Vázquez, Felix M. Paulussen, Mathias Wendt, Rasmus Klintrot, Clemens Schulte, Kerstin Wallraven, Lieke Van Gijzel, Boris Simeonov, Maurice Van Der Gaag, Alan Gerber, Hans M. Maric, Sven Hennig, Tom N. Grossmann
Angewandte Chemie International Edition, Aug 2024 DOI: 10.1002/anie.202411749 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography Rapid discovery of monoclonal antibodies by microfluidics-enabled FACS of single pathogen-specific antibody-secreting cells Katrin Fischer, Aleksei Lulla, Tsz Y. So, Pehuén Pereyra-Gerber, Matthew I. J. Raybould, Timo N. Kohler, Juan Carlos Yam-Puc, Tomasz S. Kaminski, Robert Hughes, Gwendolyn L. Pyeatt, Florian Leiss-Maier, Paul Brear, Nicholas J. Matheson, Charlotte M. Deane, Marko Hyvonen, James E. D. Thaventhiran, Florian Hollfelder
Nature Biotechnology, 40 Aug 2024 DOI: 10.1038/s41587-024-02346-5 A BTB extension and ion-binding domain contribute to the pentameric structure and TFAP2A binding of KCTD1 Daniel M. Pinkas, Joshua C. Bufton, Alice E. Hunt, Charlotte E. Manning, William Richardson, Alex N. Bullock
Structure, 35 Aug 2024 DOI: 10.1016/j.str.2024.07.023 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Bimodal substrate binding in the active site of the glycosidase BcX Mahin Saberi, Aleksandra Chikunova, Fredj Ben Bdira, Anneloes Cramer-Blok, Monika Timmer, Patrick Voskamp, Marcellus Ubbink
The Febs Journal, 33 Aug 2024 DOI: 10.1111/febs.17251 The role of water networks in phosphodiesterase inhibitor dissociation and kinetic selectivity Antoni R. Blaazer, Abhimanyu K. Singh, Lorena Zara, Pierre Boronat, Lady J. Bautista, Steve Irving, Maciej Majewski, Xavier Barril, Maikel Wijtmans, U. Helena Danielson, Geert Jan Sterk, Rob Leurs, Jacqueline E. Van Muijlwijk-Koezen, David G. Brown, Iwan De Esch
Chemmedchem, Aug 2024 DOI: 10.1002/cmdc.202400417 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access Structure and rational engineering of the PglX methyltransferase and specificity factor for BREX phage defence Sam C. Went, David M. Picton, Richard D. Morgan, Andrew Nelson, Aisling Brady, Giuseppina Mariano, David T. F. Dryden, Darren L. Smith, Nicolas Wenner, Jay C. D. Hinton, Tim R. Blower
Nature Communications, 15 Aug 2024 DOI: 10.1038/s41467-024-51629-7 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Genetic code expansion in Shewanella oneidensis MR-1 allows site-specific incorporation of bioorthogonal functional groups into a c-type cytochrome Colin W. J. Lockwood, Benjamin W. Nash, Simone E. Newton-Payne, Jessica H. Van Wonderen, Keir P. S. Whiting, Abigail Connolly, Alexander L. Sutton-Cook, Archie Crook, Advait R. Aithal, Marcus J. Edwards, Thomas A. Clarke, Amit Sachdeva, Julea N. Butt
Acs Synthetic Biology, Aug 2024 DOI: 10.1021/acssynbio.4c00248 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries Dario Akaberi, Monireh Pourghasemi Lati, Janina Krambrich, Julia Berger, Grace Neilsen, Emilia Strandback, S. Pauliina Turunen, Johan Wannberg, Hjalmar Gullberg, Martin Moche, Praveen Kumar Chinthakindi, Tomas Nyman, Stefan G. Sarafianos, Anja Sandström, Josef D. Järhult, Kristian Sandberg, Åke Lundkvist, Oscar Verho, Johan Lennerstrand
Antimicrobial Agents And Chemotherapy, Aug 2024 DOI: 10.1128/aac.00909-24 Discovery of SARS-CoV-2 papain-like protease (PL pro) inhibitors with efficacy in a murine infection model Michelle R. Garnsey, Matthew C. Robinson, Luong T. Nguyen, Rhonda Cardin, Joseph Tillotson, Ellene Mashalidis, Aijia Yu, Lisa Aschenbrenner, Amanda Balesano, Amin Behzadi, Britton Boras, Jeanne S. Chang, Heather Eng, Andrew Ephron, Tim Foley, Kristen K. Ford, James M. Frick, Scott Gibson, Li Hao, Brett Hurst, Amit S. Kalgutkar, Magdalena Korczynska, Zsofia Lengyel-Zhand, Liping Gao, Hannah R. Meredith, Nandini C. Patel, Jana Polivkova, Devendra Rai, Colin R. Rose, Hussin Rothan, Sylvie K. Sakata, Thomas R. Vargo, Wenying Qi, Huixian Wu, Yiping Liu, Irina Yurgelonis, Jinzhi Zhang, Yuao Zhu, Lei Zhang, Alpha A. Lee
Science Advances, 10 Aug 2024 DOI: 10.1126/sciadv.ado4288 Molecular mechanisms of proteoglycan-mediated semaphorin signaling in axon guidance Farahdokht Nourisanami, Margarita Sobol, Zhuoran Li, Matej Horvath, Karolina Kowalska, Atul Kumar, Jonas Vlasak, Nicola Koupilova, David J. Luginbuhl, Liqun Luo, Daniel Rozbesky
Proceedings Of The National Academy Of Sciences, 121 Jul 2024 DOI: 10.1073/pnas.2402755121 Peri active site catalysis of proline isomerisation is the molecular basis of allomorphy in β-phosphoglucomutase F. Aaron Cruz-Navarrete, Nicola J. Baxter, Adam J. Flinders, Anamaria Buzoianu, Matthew J. Cliff, Patrick J. Baker, Jonathan P. Waltho
Communications Biology, 7 Jul 2024 DOI: 10.1038/s42003-024-06577-9 Natural malaria infection elicits rare but potent neutralizing antibodies to the blood-stage antigen RH5 Lawrence T. Wang, Andrew J. R. Cooper, Brendan Farrell, Kazutoyo Miura, Ababacar Diouf, Nicole Müller-Sienerth, Cécile Crosnier, Lauren Purser, Payton J. Kirtley, Maciej Maciuszek, Jordan R. Barrett, Kirsty Mchugh, Rodney Ogwang, Courtney Tucker, Shanping Li, Safiatou Doumbo, Didier Doumtabe, Chul-Woo Pyo, Jeff Skinner, Carolyn M. Nielsen, Sarah E. Silk, Kassoum Kayentao, Aissata Ongoiba, Ming Zhao, Doan C. Nguyen, F. Eun-Hyung Lee, Angela M. Minassian, Daniel E. Geraghty, Boubacar Traore, Robert A. Seder, Brandon K. Wilder, Peter D. Crompton, Gavin J. Wright, Carole A. Long, Simon J. Draper, Matthew K. Higgins, Joshua Tan
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Cell, 24 Jul 2024 DOI: 10.1016/j.cell.2024.06.015 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Discovery and in vivo efficacy of AZ-PRMT5i-1, a novel PRMT5 inhibitor with high MTA cooperativity James M. Smith, Bernard Barlaam, David Beattie, Lauren Bradshaw, Ho Man Chan, Elisabetta Chiarparin, Olga Collingwood, Sophie L. Cooke, Anna Cronin, Iain Cumming, Emma Dean, Judit É. Debreczeni, Iván Del Barco Barrantes, Coura Diene, Davide Gianni, Carine Guerot, Xiaoxiao Guo, Sinem Guven, Thomas G. Hayhow, Ted Hong, Paul D. Kemmitt, Gillian M. Lamont, Scott Lamont, James T. Lynch, Lisa Mcwilliams, Shaun Moore, Piotr Raubo, Graeme R. Robb, James Robinson, James S. Scott, Bharath Srinivasan, Oliver Steward, Christopher J. Stubbs, Karl Syson, Lixiang Tan, Oliver Turner, Elizabeth Underwood, Jelena Urosevic, Mercedes Vazquez-Chantada, Amy L. Whittaker, David M. Wilson, Jon J. Winter-Holt
Journal Of Medicinal Chemistry, Jul 2024 DOI: 10.1021/acs.jmedchem.4c00097 Metal ion binding to human glutaminyl cyclase: a structural perspective Giusy Tassone, Cecilia Pozzi, Stefano Mangani
International Journal Of Molecular Sciences, 25 Jul 2024 DOI: 10.3390/ijms25158279 Mapping protein binding sites by photoreactive fragment pharmacophores Péter Ábrányi-Balogh, Dávid Bajusz, Zoltán Orgován, Aaron B. Keeley, László Petri, Nikolett Péczka, Tibor Viktor Szalai, Gyula Pálfy, Márton Gadanecz, Emma K. Grant, Tímea Imre, Tamás Takács, Ivan Ranđelović, Marcell Baranyi, András Marton, Gitta Schlosser, Qirat F. Ashraf, Elvin D. De Araujo, Tamás Karancsi, László Buday, József Tóvári, András Perczel, Jacob T. Bush, György M. Keserű
Communications Chemistry, 7 Jul 2024 DOI: 10.1038/s42004-024-01252-w Identification of an osteopontin-derived peptide that binds neuropilin-1 and activates vascular repair responses and angiogenesis Yihong Chen, Chrysostomi Gialeli, Junyan Shen, Pontus Dunér, Björn Walse, Annette Duelli, Rhawnie Caing-Carlsson, Anna M. Blom, John R. Zibert, Anna Hultgårdh Nilsson, Jan Alenfall, Chun Liang, Jan Nilsson
Pharmacological Research, 205 Jul 2024 DOI: 10.1016/j.phrs.2024.107259 Bioengineering a plant NLR immune receptor with a robust binding interface toward a conserved fungal pathogen effector Rafal Zdrzalek, Yuxuan Xi, Thorsten Langner, Adam R. Bentham, Yohann Petit-Houdenot, Juan Carlos De La Concepcion, Adeline Harant, Motoki Shimizu, Vincent Were, Nicholas J. Talbot, Ryohei Terauchi, Sophien Kamoun, Mark J. Banfield
Proceedings Of The National Academy Of Sciences, 121 Jul 2024 DOI: 10.1073/pnas.2402872121 Enhanced stabilisation and reduced fibril forming potential of an amyloidogenic light chain using a variable heavy domain to mimic the homodimer complex Alana Maerivoet, Rebecca Price, Cécile Galmiche, Anthony Scott-Tucker, Jeff Kennedy, Tom Crabbe, Svetlana Antonyuk, Jillian Madine
The Febs Journal, 161 Jul 2024 DOI: 10.1111/febs.17223 The impact of exchanging the light and heavy chains on the structures of bovine ultralong antibodies John D. Clarke, Alice Douangamath, Halina Mikolajek, Marie Bonnet-Di Placido, Jingshan Ren, Elizabeth E. Fry, Dave I. Stuart, John A. Hammond, Raymond J. Owens
Acta Crystallographica Section F Structural Biology Communications, 80 Jul 2024 DOI: 10.1107/S2053230X2400606X Journal Paper I04-Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ open access Cryptic enzymatic assembly of peptides armed with β-lactone warheads Guangcai Xu, Daniele Torri, Sebastian Cuesta-Hoyos, Deepanjan Panda, Luke R. L. Yates, Rémi Zallot, Kehan Bian, Dongxu Jia, Andreea I. Iorgu, Colin Levy, Sarah A. Shepherd, Jason Micklefield
Nature Chemical Biology, 21 Jul 2024 DOI: 10.1038/s41589-024-01657-7 Biophysical and structural studies of fibulin-2 Anil A. Sohail, M. Kristian Koski, Lloyd W. Ruddock
Scientific Reports, 14 Jul 2024 DOI: 10.1038/s41598-024-64931-7 Identification of innovative folate inhibitors leveraging the amino dihydrotriazine motif from cycloguanil for their potential as anti-Trypanosoma brucei agents Valeria Francesconi, Marco Rizzo, Cecilia Pozzi, Lorenzo Tagliazucchi, Claude U. Konchie Simo, Giulia Saporito, Giacomo Landi, Stefano Mangani, Anna Carbone, Silvia Schenone, Nuno Santarém, Joana Tavares, Anabela Cordeiro-Da-Silva, Maria Paola Costi, Michele Tonelli
Acs Infectious Diseases, 27 Jul 2024 DOI: 10.1021/acsinfecdis.4c00113 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography A fragment based competitive 19F LB‐NMR platform for hotspot directed ligand profiling William J. Mccarthy, Sherine E. Thomas, Tayo Olaleye, Jennifer A Boland, Rodrigo Andres Floto, Glyn Williams, Tom L. Blundell, Anthony G Coyne, Chris Abell
Angewandte Chemie International Edition, June 2024 DOI: 10.1002/anie.202406846 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Exploring the effects of redox within the bacterial biofilm lifecycle of Pseudomonas aeruginosa - the importance of sensory domains Charlotte R. Cordery
June 2024 Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography I23-Long wavelength MX I24-Microfocus Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ
Structural basis for IL-33 recognition and its antagonism by the helminth effector protein HpARI2 Abhishek Jamwal, Florent Colomb, Henry J. Mcsorley, Matthew K. Higgins
Nature Communications, 15 June 2024 DOI: 10.1038/s41467-024-49550-0 Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Design of a lead-like cysteine-targeting covalent library and the identification of hits to Cys55 of Bfl-1 Simon C. C. Lucas, Alexander G. Milbradt, J. Henry Blackwell, Silvia Bonomo, Andrew Brierley, Doyle J. Cassar, Jared Freeman, Thomas E. Hadfield, Lucas A. Morrill, Rick Riemens, Sunil Sarda, Stefan Schiesser, Daniel Wiktelius, Samiyah Ahmed, Mark J. Bostock, Ulf Börjesson, Claudia De Fusco, Carine Guerot, David Hargreaves, Sarah Hewitt, Michelle L. Lamb, Nancy Su, Ryan Whatling, Matthew Wheeler, Jason G. Kettle
Journal Of Medicinal Chemistry, 49 June 2024 DOI: 10.1021/acs.jmedchem.4c00781 Conformational rigidity of thermophilic cytochrome c'-α is associated with slow binding of nitric oxide Sotaro Fujii, Michael T. Wilson, Hannah R. Adams, Halina Mikolajek, Dimitri A. Svistunenko, Peter Smyth, Colin R. Andrew, Yoshihiro Sambongi, Michael A. Hough
Biophysical Journal, June 2024 DOI: 10.1016/j.bpj.2024.06.026 Journal Paper I04-Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ Rationally seeded computational protein design of ɑ-helical barrels Katherine I. Albanese, Rokas Petrenas, Fabio Pirro, Elise A. Naudin, Ufuk Borucu, William M. Dawson, D. Arne Scott, Graham. J. Leggett, Orion D. Weiner, Thomas A. A. Oliver, Derek N. Woolfson
Nature Chemical Biology, 53 June 2024 DOI: 10.1038/s41589-024-01642-0 Journal Paper B21-High Throughput SAXS I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Stereochemical inversion at a 1,4-cyclohexyl PROTAC linker fine-tunes conformation and binding affinity Martina Pierri, Xingui Liu, Alena Kroupova, Zoe Rutter, Alex J. Hallatt, Alessio Ciulli
Bioorganic & Medicinal Chemistry Letters, 21 June 2024 DOI: 10.1016/j.bmcl.2024.129861 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2 Katy Cornish, Jiandong Huo, Luke Jones, Parul Sharma, Joseph W. Thrush, Sahar Abdelkarim, Anja Kipar, Siva Ramadurai, Miriam Weckener, Halina Mikolajek, Sai Liu, Imogen Buckle, Eleanor Bentley, Adam Kirby, Ximeng Han, Stephen M. Laidlaw, Michelle Hill, Lauren Eyssen, Chelsea Norman, Audrey Le Bas, John Clarke, William James, James P. Stewart, Miles Carroll, James Naismith, Raymond J. Owens
Open Biology, 14 June 2024 DOI: 10.1098/rsob.230252 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Exploring the interaction of N-(benzothiazol-2-yl)pyrrolamide DNA gyrase inhibitors with the GyrB ATP-binding site lipophilic floor: A medicinal chemistry and QTAIM study Nace Zidar, Andrej Emanuel Cotman, Wessel Sinnige, Ondrej Benek, Michaela Barančokova, Anamarija Zega, Lucija Peterlin Mašič, Tihomir Tomašič, Janez Ilaš, Sara R. Henderson, Julia E. A. Mundy, Anthony Maxwell, Clare E. M. Stevenson, David M. Lawson, Geert Jan Sterk, Rodrigo Tosso, Lucas Gutierrez, Ricardo D. Enriz, Danijel Kikelj
Bioorganic & Medicinal Chemistry, 43 June 2024 DOI: 10.1016/j.bmc.2024.117798 Identification and evaluation of reversible covalent binders to Cys55 of Bfl-1 from a DNA-encoded chemical library screen Simon C. C. Lucas, J. Henry Blackwell, Ulf Börjesson, David Hargreaves, Alexander G. Milbradt, Samiyah Ahmed, Mark J. Bostock, Carine Guerot, Andrea Gohlke, Olaf Kinzel, Michelle L. Lamb, Nidhal Selmi, Christopher J. Stubbs, Nancy Su, Qibin Su, Haiou Luo, Ting Xiong, Xiaoqian Zuo, Sana Bazzaz, Corey Bienstock, Paolo A. Centrella, Kyle E. Denton, Diana Gikunju, Marie-Aude Guié, John P. Guilinger, Christopher Hupp, Anthony D. Keefe, Takashi Satoh, Ying Zhang, Emma L. Rivers
Acs Medicinal Chemistry Letters, 15 June 2024 DOI: 10.1021/acsmedchemlett.4c00113 Exploring the sequence-function space of microbial fucosidases Ana Martínez Gascueña, Haiyang Wu, Rui Wang, C. David Owen, Pedro J. Hernando, Serena Monaco, Matthew Penner, Ke Xing, Gwenaelle Le Gall, Richard Gardner, Didier Ndeh, Paulina A. Urbanowicz, Daniel I. R. Spencer, Martin Walsh, Jesus Angulo, Nathalie Juge
Communications Chemistry, 7 June 2024 DOI: 10.1038/s42004-024-01212-4 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Fragment-based discovery of novel MUS81 inhibitors Gavin W. Collie, Ulf Börjesson, Yunhua Chen, Zhiqiang Dong, Paolo Di Fruscia, Andrea Gohlke, Anna Hoyle, Thomas A. Hunt, Mehul H. Jesani, Haiou Luo, Jakub Luptak, Alexander G. Milbradt, Priyanka Narasimhan, Martin Packer, Saleha Patel, Jingchuan Qiao, R. Ian Storer, Christopher J. Stubbs, Jonathan Tart, Caroline Truman, Anderson T. Wang, Matthew G. Wheeler, Jon Winter-Holt
Acs Medicinal Chemistry Letters, June 2024 DOI: 10.1021/acsmedchemlett.3c00453 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Fragment-based discovery of a series of allosteric-binding site modulators of β-glucocerebrosidase Nick Palmer, Christopher Agnew, Caroline Benn, William J. Buffham, Joan N. Castro, Gianni Chessari, Mellissa Clark, Benjamin D. Cons, Joseph E. Coyle, Lee A. Dawson, Christopher C. F. Hamlett, Charlotte Hodson, Finn Holding, Christopher N. Johnson, John W. Liebeschuetz, Pravin Mahajan, James M. Mccarthy, Christopher W. Murray, Marc O’reilly, Torren Peakman, Amanda Price, Magdalini Rapti, Judith Reeks, Patrick Schöpf, Jeffrey D. St-Denis, Chiara Valenzano, Nicola G. Wallis, Reto Walser, Heather Weir, Nicola E. Wilsher, Andrew Woodhead, Carla F. Bento, Dominic Tisi
Journal Of Medicinal Chemistry, June 2024 DOI: 10.1021/acs.jmedchem.4c00702 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography Time-series analysis of rhenium(I) organometallic covalent binding to a model protein for drug development Francois J. F. Jacobs, John R. Helliwell, Alice Brink
Iucrj, 11 May 2024 DOI: 10.1107/S2052252524002598 Identification of novel potent NSD2-PWWP1 ligands using structure-based design and computational approaches Luca Carlino, Peter C. Astles, Bryony Ackroyd, Afshan Ahmed, Christina Chan, Gavin W. Collie, Ian L. Dale, Daniel H. O’donovan, Caroline Fawcett, Paolo Di Fruscia, Andrea Gohlke, Xiaoxiao Guo, Jessie Hao-Ru Hsu, Bethany Kaplan, Alexander G. Milbradt, Sarah Northall, Dušan Petrović, Emma L. Rivers, Elizabeth Underwood, Alice Webb
Journal Of Medicinal Chemistry, May 2024 DOI: 10.1021/acs.jmedchem.4c00215 Histidine-covalent stapled alpha-helical peptides targeting hMcl-1 Giulia Alboreggia, Parima Udompholkul, Carlo Baggio, Kendall Muzzarelli, Zahra Assar, Maurizio Pellecchia
Journal Of Medicinal Chemistry, 58 May 2024 DOI: 10.1021/acs.jmedchem.4c00277 Dynamics of interdomain rotation facilitates FtsZ filament assembly Joyeeta Chakraborty, Sakshi Poddar, Soumyajit Dutta, Vaishnavi Bahulekar, Shrikant Harne, Ramanujam Srinivasan, Pananghat Gayathri
Journal Of Biological Chemistry, 66 May 2024 DOI: 10.1016/j.jbc.2024.107336 An HLA-E-targeted TCR bispecific molecule redirects T cell immunity against Mycobacterium tuberculosis Rachel L. Paterson, Marco P. La Manna, Victoria Arena De Souza, Andrew Walker, Dawn Gibbs-Howe, Rakesh Kulkarni, Joannah R. Fergusson, Nitha Charles Mulakkal, Mauro Monteiro, Wilawan Bunjobpol, Marcin Dembek, Magdalena Martin-Urdiroz, Tressan Grant, Claire Barber, Diana J. Garay-Baquero, Liku Bekele Tezera, David Lowne, Camille Britton-Rivet, Robert Pengelly, Natalia Chepisiuk, Praveen K. Singh, Amanda P. Woon, Alex S. Powlesland, Michelle L. Mccully, Nadia Caccamo, Mariolina Salio, Giusto Davide Badami, Lucy Dorrell, Andrew Knox, Ross Robinson, Paul Elkington, Francesco Dieli, Marco Lepore, Sarah Leonard, Luis F. Godinho
Proceedings Of The National Academy Of Sciences, 121 May 2024 DOI: 10.1073/pnas.2318003121 Discovery and optimization of potent, efficacious and selective inhibitors targeting EGFR Exon20 insertion mutations Clare Thomson, Peter Barton, Erin Braybrooke, Nicola Colclough, Zhiqiang Dong, Laura Evans, Nicolas Floc’h, Carine Guérot, David Hargreaves, Puneet Khurana, Songlei Li, Xiuwei Li, Andrew Lister, William Mccoull, Lisa Mcwilliams, Jonathan P. Orme, Martin J. Packer, Aisha M. Swaih, Richard A. Ward, Poppy Winlow, Yang Ye
Journal Of Medicinal Chemistry, May 2024 DOI: 10.1021/acs.jmedchem.4c00227 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography Discovery of the selective and orally available galectin-1 inhibitor GB1908 as a potential treatment for lung cancer Fredrik R. Zetterberg, Kristoffer Peterson, Ulf J. Nilsson, Kajsa Andréasson Dahlgren, Carl Diehl, Ian Holyer, Maria Håkansson, Areej Khabut, Barbro Kahl-Knutson, Hakon Leffler, Alison C. Mackinnon, James A. Roper, Robert J. Slack, Reihaneh Zarrizi, Anders Pedersen
Journal Of Medicinal Chemistry, May 2024 DOI: 10.1021/acs.jmedchem.4c00485 Imidazo[1,2-b]pyridazines as inhibitors of DYRK kinases Scott H. Henderson, Fiona J. Sorrell, James M. Bennett, Oleg Fedorov, Marcus T. Hanley, Paulo H. Godoi, Roberta Ruela De Sousa, Sean Robinson, Iva Hopkins Navratilova, Jonathan M. Elkins, Simon E. Ward
European Journal Of Medicinal Chemistry, 269 Apr 2024 DOI: 10.1016/j.ejmech.2024.116292 Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection Chang Liu, Raksha Das, Aiste Dijokaite-Guraliuc, Daming Zhou, Alexander J. Mentzer, Piyada Supasa, Muneeswaran Selvaraj, Helen M. E. Duyvesteyn, Thomas G. Ritter, Nigel Temperton, Paul Klenerman, Susanna J. Dunachie, Neil G. Paterson, Mark A. Williams, David R. Hall, Elizabeth E. Fry, Juthathip Mongkolsapaya, Jingshan Ren, David I. Stuart, Gavin R. Screaton
Nature Communications, 15 Apr 2024 DOI: 10.1038/s41467-024-47393-3 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access The crystal structure of human Navβ3-Ig domain and its implications Sivakumar Namadurai
Apr 2024 DOI: 10.17863/CAM.107561 Thesis I04-Macromolecular Crystallography CRISPR antiphage defence mediated by the cyclic nucleotide-binding membrane protein Csx23 Sabine Grüschow, Stuart Mcquarrie, Katrin Ackermann, Stephen Mcmahon, Bela e. Bode, Tracey M. Gloster, Malcolm f. White
Nucleic Acids Research, 52 Apr 2024 DOI: 10.1093/nar/gkae167 Conformational and electronic variations in 1,2- and 1,6-cyclophellitols and their impact on retaining α-glucosidase inhibition Tim P. Ofman, Jurriaan J. A. Heming, Alba Nin-Hill, Florian Küllmer, Elisha Moran, Megan Bennett, Roy Steneker, Anne-Mei Klein, Gijs Ruijgrok, Ken Kok, Zach W. B. Armstrong, Johannes M. F. G. Aerts, Gijsbert A. Van Der Marel, Carme Rovira, Gideon J. Davies, Marta Artola, Jeroen D. C. Codée, Hermen S. Overkleeft
Chemistry – A European Journal, Apr 2024 DOI: 10.1002/chem.202400723 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Cell-active small molecule inhibitors validate the SNM1A DNA repair nuclease as a cancer target Marcin Bielinski, Lucy R. Henderson, Yuliana Yosaatmadja, Lonnie P. Swift, Hannah T. Baddock, Matthew J. Bowen, Jurgen Brem, Philip S. Jones, Stuart P. Mcelroy, Angus Morrison, Michael Speake, Stan Van Boeckel, Els Van Doornmalen, Jan Van Groningen, Helma Van Den Hurk, Opher Gileadi, Joseph A Newman, Peter J. Mchugh, Christopher J. Schofield
Chemical Science, 60 Apr 2024 DOI: 10.1039/D4SC00367E Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access α-methylacyl-CoA racemase from Mycobacterium tuberculosis - detailed kinetic and structural characterization of the active site Otsile O. Mojanaga, Timothy J. Woodman, Matthew D. Lloyd, K. Ravi Acharya
Biomolecules, 14 Mar 2024 DOI: 10.3390/biom14030299 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Structural dissection of two redox proteins from the shipworm symbiont Teredinibacter turnerae Badri S. Rajagopal, Nick Yates, Jake Smith, Alessandro Paradisi, Catherine Tétard-Jones, William G. T. Willats, Susan Marcus, J. Paul Knox, Mohd Firdaus-Raih, Bernard Henrissat, Gideon J. Davies, Paul H. Walton, Alison Parkin, Glyn R. Hemsworth
Iucrj, 11 Mar 2024 DOI: 10.1107/S2052252524001386 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Binding dynamics of a stapled peptide targeting the transcription factor NF‐Y Canan Durukan, Federica Arbore, Rasmus Klintrot, Carlo Bigiotti, Ioana M. Ilie, Jocelyne Vreede, Tom N. Grossmann, Sven Hennig
Chembiochem, Mar 2024 DOI: 10.1002/cbic.202400020 Insights into energy quenching mechanisms and carotenoid uptake by Orange carotenoid protein homologs: HCP4 and CTDH Jenia Sklyar, Adjélé Wilson, Diana Kirilovsky, Noam Adir
International Journal Of Biological Macromolecules, 1861 Mar 2024 DOI: 10.1016/j.ijbiomac.2024.131028 Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering Nikolas Capra, Chloé Lelièvre, Océane Touré, Aurélie Fossey-Jouenne, Carine Vergne-Vaxelaire, Dick B. Janssen, Andy-Mark W. H. Thunnissen, Anne Zaparucha
Frontiers In Catalysis, 4 Mar 2024 DOI: 10.3389/fctls.2024.1360129 Development of a series of pyrrolopyridone MAT2A inhibitors Stephen J. Atkinson, Sharan K. Bagal, Argyrides Argyrou, Sean Askin, Tony Cheung, Elisabetta Chiarparin, Muireann Coen, Iain T. Collie, Ian L. Dale, Claudia De Fusco, Keith Dillman, Laura Evans, Lyman J. Feron, Alison J. Foster, Michael Grondine, Vasudev Kantae, Gillian M. Lamont, Scott Lamont, James T. Lynch, Sten Nilsson Lill, Graeme R. Robb, Jamal Saeh, Marianne Schimpl, James S. Scott, James Smith, Bharath Srinivasan, Sharon Tentarelli, Mercedes Vazquez-Chantada, David Wagner, Jarrod J. Walsh, David Watson, Beth Williamson
Journal Of Medicinal Chemistry, Mar 2024 DOI: 10.1021/acs.jmedchem.3c01860 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography Structural and functional characterization of a gene cluster responsible for deglycosylation of C-glucosyl flavonoids and xanthonoids by Deinococcus aerius Valentina Furlanetto, Dayanand C. Kalyani, Anja Kostelac, Jolanta Puc, Dietmar Haltrich, B. Martin Hallberg, Christina Divne
Journal Of Molecular Biology, 104 Mar 2024 DOI: 10.1016/j.jmb.2024.168547 Fragment-based discovery of allosteric inhibitors of SH2 domain-containing protein tyrosine phosphatase-2 (SHP2) James E. H. Day, Valerio Berdini, Joan Castro, Gianni Chessari, Thomas G. Davies, Philip J. Day, Jeffrey D. St. Denis, Hideto Fujiwara, Satoshi Fukaya, Christopher C. F. Hamlett, Keisha Hearn, Steven D. Hiscock, Rhian S. Holvey, Satoru Ito, Navrohit Kandola, Yasuo Kodama, John W. Liebeschuetz, Vanessa Martins, Kenichi Matsuo, Paul N. Mortenson, Sandra Muench, Yoko Nakatsuru, Hiroaki Ochiiwa, Nicholas Palmer, Torren Peakman, Amanda Price, Michael Reader, David C. Rees, Sharna J. Rich, Alpesh Shah, Yoshihiro Shibata, Tomoko Smyth, David G. Twigg, Nicola G. Wallis, Glyn Williams, Nicola E. Wilsher, Andrew Woodhead, Tadashi Shimamura, Christopher N. Johnson
Journal Of Medicinal Chemistry, 106 Mar 2024 DOI: 10.1021/acs.jmedchem.3c02118 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography Discovery of a potent, selective, and cell-active SPIN1 inhibitor Yan Xiong, Holger Greschik, Catrine Johansson, Ludwig Seifert, Vicki Gamble, Kwang-Su Park, Vincent Fagan, Fengling Li, Irene Chau, Masoud Vedadi, Cheryl H. Arrowsmith, Paul Brennan, Oleg Fedorov, Manfred Jung, Gillian Farnie, Jing Liu, Udo Oppermann, Roland Schüle, Jian Jin
Journal Of Medicinal Chemistry, 9 Mar 2024 DOI: 10.1021/acs.jmedchem.4c00121 A nanobody inhibitor of Fascin-1 actin-bundling activity and filopodia formation Selena G. Burgess, Nikki R. Paul, Mark W. Richards, James R. Ault, Laurie Askenatzis, Sophie G. Claydon, Ryan Corbyn, Laura M. Machesky, Richard Bayliss
Open Biology, 14 Mar 2024 DOI: 10.1098/rsob.230376 Structural basis of specific IgG deactivation by streptococcal immune evasion enzymes Abigail S. L. Sudol
Mar 2024 Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography
The SPATA5-SPATA5L1 ATPase complex directs replisome proteostasis to ensure genome integrity Vidhya Krishnamoorthy, Martina Foglizzo, Robert L. Dilley, Angela Wu, Arindam Datta, Parul Dutta, Lisa J. Campbell, Oksana Degtjarik, Laura J. Musgrove, Antonio N. Calabrese, Elton Zeqiraj, Roger A. Greenberg
Cell, 86 Mar 2024 DOI: 10.1016/j.cell.2024.03.002 Photocobilins integrate B12 and bilin photochemistry for enzyme control Shaowei Zhang, Laura N. Jeffreys, Harshwardhan Poddar, Yuqi Yu, Chuanyang Liu, Kaylee Patel, Linus O. Johannissen, Lingyun Zhu, Matthew J. Cliff, Cunyu Yan, Giorgio Schirò, Martin Weik, Michiyo Sakuma, Colin W. Levy, David Leys, Derren J. Heyes, Nigel S. Scrutton
Nature Communications, 15 Mar 2024 DOI: 10.1038/s41467-024-46995-1 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Cargo selective vesicle tethering: The structural basis for binding of specific cargo proteins by the Golgi tether component TBC1D23 Jérôme Cattin-Ortolá, Jonathan G. G. Kaufman, Alison K. Gillingham, Jane L. Wagstaff, Sew-Yeu Peak-Chew, Tim J. Stevens, Jérôme Boulanger, David J. Owen, Sean Munro
Science Advances, 10 Mar 2024 DOI: 10.1126/sciadv.adl0608 Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose Thimali Arumapperuma, Alexander J. D. Snow, Mihwa Lee, Mahima Sharma, Yunyang Zhang, James P. Lingford, Ethan D. Goddard-Borger, Gideon J. Davies, Spencer J. Williams
Organic & Biomolecular Chemistry, 23 Mar 2024 DOI: 10.1039/D4OB00307A Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography Structure and ligand binding in the putative anti-microbial peptide transporter protein, YejA Bryony K. Ackroyd, Eleanor J. Dodson, Javeria Mehboob, Adam A. Dowle, Gavin H. Thomas, Anthony J. Wilkinson
Microbiology, 170 Feb 2024 DOI: 10.1099/mic.0.001430 Snapshots of the reaction coordinate of a thermophilic 2′-deoxyribonucleoside/ribonucleoside transferase Peijun Tang, Christopher J. Harding, Alison L. Dickson, Rafael G. Da Silva, David J. Harrison, Clarissa Melo Czekster
Acs Catalysis, 467 Feb 2024 DOI: 10.1021/acscatal.3c06260 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2 William J. Bradshaw, Emma C. Kennedy, Tiago Moreira, Luke A. Smith, Rod Chalk, Vittorio L. Katis, Justin L. P. Benesch, Paul E. Brennan, Emma J. Murphy, Opher Gileadi
Structure, 44 Feb 2024 DOI: 10.1016/j.str.2024.01.005 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Antibody agonists trigger immune receptor signaling through local exclusion of receptor-type protein tyrosine phosphatases Anna H. Lippert, Christopher Paluch, Meike Gaglioni, Mai T. Vuong, James Mccoll, Edward Jenkins, Martin Fellermeyer, Joseph Clarke, Sumana Sharma, Sara Moreira Da Silva, Billur Akkaya, Consuelo Anzilotti, Sara H. Morgan, Claire F. Jessup, Markus Körbel, Uzi Gileadi, Judith Leitner, Rachel Knox, Mami Chirifu, Jiandong Huo, Susan Yu, Nicole Ashman, Yuan Lui, Ian Wilkinson, Kathrine E. Attfield, Lars Fugger, Nathan J. Robertson, Christopher Lynch, Lynne Murray, Peter Steinberger, Ana Mafalda Santos, Steven F. Lee, Richard J. Cornall, David Klenerman, Simon J. Davis
Immunity, 57 Feb 2024 DOI: 10.1016/j.immuni.2024.01.007 The UFM1 E3 ligase recognizes and releases 60S ribosomes from ER translocons Linda Makhlouf, Joshua J. Peter, Helge M. Magnussen, Rohan Thakur, David Millrine, Thomas C. Minshull, Grace Harrison, Joby Varghese, Frederic Lamoliatte, Martina Foglizzo, Thomas Macartney, Antonio N. Calabrese, Elton Zeqiraj, Yogesh Kulathu
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Nature Communications, 15 Feb 2024 DOI: 10.1038/s41467-024-45854-3 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access Bacterial lactonases ZenA with noncanonical structural features hydrolyze the mycotoxin zearalenone Sebastian Fruhauf, Dominic Pühringer, Michaela Thamhesl, Patricia Fajtl, Elisavet Kunz-Vekiru, Andreas Höbartner-Gussl, Gerd Schatzmayr, Gerhard Adam, Jiri Damborsky, Kristina Djinovic-Carugo, Zbynek Prokop, Wulf-Dieter Moll
Acs Catalysis, 49 Feb 2024 DOI: 10.1021/acscatal.4c00271 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access C19ORF84 connects piRNA and DNA methylation machineries to defend the mammalian germ line Ansgar Zoch, Gabriela Konieczny, Tania Auchynnikava, Birgit Stallmeyer, Nadja Rotte, Madeleine Heep, Rebecca V. Berrens, Martina Schito, Yuka Kabayama, Theresa Schöpp, Sabine Kliesch, Brendan Houston, Liina Nagirnaja, Moira K. O’bryan, Kenneth I. Aston, Donald F. Conrad, Juri Rappsilber, Robin C. Allshire, Atlanta G. Cook, Frank Tüttelmann, Dónal O’carroll
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Nature Microbiology, 9 Jan 2024 DOI: 10.1038/s41564-023-01550-4 Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases Jannik Strauss, Craig Wilkinson, Keni Vidilaseris, Orquidea M. De Castro Ribeiro, Jianing Liu, James Hillier, Maximilian Wichert, Anssi M. Malinen, Bernadette Gehl, Lars J. C. Jeuken, Arwen R. Pearson, Adrian Goldman
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Journal Of Medicinal Chemistry, Jan 2024 DOI: 10.1021/acs.jmedchem.3c00973 Crystal structure and biochemical activity of the macrodomain from rubella virus p150 Guido A. Stoll, Nikos Nikolopoulos, Haoming Zhai, Liao Zhang, Christopher H. Douse, Yorgo Modis
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