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Acta Crystallographica Section D Structural Biology, 81 May 2025 DOI: 10.1107/S2059798325002864 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access Binding assays enable discovery of Tet(X) inhibitors that combat tetracycline destructase resistance Matthew J. Beech, Edmond C. Toma, Helen G. Smith, Maria M. Trush, Jit H. J. Ang, Mei Y. Wong, Chung H. J. Wong, Hafiz S. Ali, Zakia Butt, Viha Goel, Fernanda Duarte, Alistair J. M. Farley, Timothy R. Walsh, Christopher J. Schofield
Chemical Science, 5 May 2025 DOI: 10.1039/D5SC00964B Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Filamin C dimerisation is regulated by HSPB7 Zihao Wang, Guodong Cao, Miranda P. Collier, Xingyu Qiu, Sophie Broadway-Stringer, Dominik Šaman, Jediael Z. Y. Ng, Navoneel Sen, Amar J. Azad, Charlotte Hooper, Johannes Zimmermann, Michael A. Mcdonough, Jurgen Brem, Patrick Rabe, Haigang Song, T. Reid Alderson, Christopher J. Schofield, Jani R. Bolla, Kristina Djinovic-Carugo, Dieter O. Fürst, Bettina Warscheid, Matteo T. Degiacomi, Timothy M. Allison, Georg K. A. Hochberg, Carol V. Robinson, Katja Gehmlich, Justin L. P. Benesch
Nature Communications, 16 May 2025 DOI: 10.1038/s41467-025-58889-x Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Structural enzymological studies of the long chain fatty acyl-CoA synthetase FadD5 from the mce1 operon of Mycobacterium tuberculosis Mohammad Asadur Rahman, Subhadra Dalwani, Rajaram Venkatesan
Biochemical And Biophysical Research Communications, 148 May 2025 DOI: 10.1016/j.bbrc.2025.151960 Journal Paper B21-High Throughput SAXS I04-Macromolecular Crystallography Locking CBL TKBD in its native conformation presents a novel therapeutic opportunity in mutant CBL-dependent leukemia Syed Feroj Ahmed, Jayanthi Anand, Wei Zhang, Lori Buetow, Loveena Rishi, Louise Mitchell, Jonathan Bohlen, Sergio Lilla, Gary J. Sibbet, Colin Nixon, Amrita Patel, Karolina A. Majorek, Sara Zanivan, Jacinta C. Bustamante, Sachdev S. Sidhu, Karen Blyth, Danny T. Huang
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Journal Of The American Chemical Society, Apr 2025 DOI: 10.1021/jacs.5c01337 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Structural and antigen-binding surface definition of an anti-CD93 monoclonal antibody for the treatment of degenerative vascular eye diseases Luisa Raucci, Cosimo Damiano Perrone, Stefano Barbera, Laurens Julius De Boer, Gian Marco Tosi, Jlenia Brunetti, Luisa Bracci, Cecilia Pozzi, Federico Galvagni, Maurizio Orlandini
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Proceedings Of The National Academy Of Sciences, 122 Apr 2025 DOI: 10.1073/pnas.2417370122 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Macrocyclic peptide probes for immunomodulatory protein CD59: potent modulators of bacterial toxin activity and antibody-dependent cytotoxicity Edward W. Tate, Jasmine K. Bickel, Ammar. I. S. Ahmed, Aidan B. Pidd, Rhodri M. Morgan, Tom E. Mcallister, Sam M. Horrell, Emma C. Couves, Hemavathi Nagaraj, Edward J. Bartlett, Kamel El Omari, Akane Kawamura, Doryen Bubeck
Angewandte Chemie International Edition, Apr 2025 DOI: 10.1002/anie.202422673 Factors affecting irreversible inhibition of EGFR and influence of chirality on covalent binding Pasquale A. Morese, Ayaz Ahmad, Mathewp. Martin, Richard A. Noble, Sara Pintar, Lan Z. Wang, Shangze Xu, Andrew Lister, Richard A. Ward, Agnieszka K. Bronowska, Martin E. M. Noble, Hannah L. Stewart, Michael J. Waring
Communications Chemistry, 8 Apr 2025 DOI: 10.1038/s42004-025-01501-6 Molecular basis of dipeptide recognition in Drosophila melanogaster Angiotensin I-converting enzyme homologue, AnCE Joanna Zukowska, Kyle S. Gregory, Adam Robinson, R. Elwyn Isaac, K. Ravi Acharya
Biomolecules, 15 Apr 2025 DOI: 10.3390/biom15040591 Structural and functional significance of Aedes aegypti AgBR1 flavivirus immunomodulator Ane Martinez-Castillo, Diego Barriales, Mikel Azkargorta, Juan Diego Zalamea, Ana Ardá, Jesus Jimenez-Barbero, Monika Gonzalez-Lopez, Ana M. Aransay, Alejandro Marín-López, Erol Fikrig, Felix Elortza, Juan Anguita, Nicola G. A. Abrescia
Journal Of Virology, Apr 2025 DOI: 10.1128/jvi.01878-24 Structure and catalytic mechanism of methylisocitrate lyase, a potential drug target against Coxiella burnetii William S. Stuart, Christopher H. Jenkins, Philip M. Ireland, Michail N. Isupov, Isobel H. Norville, Nicholas J. Harmer
Journal Of Biological Chemistry, 42 Apr 2025 DOI: 10.1016/j.jbc.2025.108517 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access MDC1 mediates Pellino recruitment to sites of DNA double-strand breaks Mònica Torres Esteban, Matthew J. Stewart, Eilis Bragginton, Alice Meroni, Annica Pellizzari, Alain Jeanrenaud, Stephen J. Smerdon, Manuel Stucki
Life Science Alliance, 8 Mar 2025 DOI: 10.26508/lsa.202403074 The Medicago truncatula LYR 4 intracellular domain serves as a scaffold in immunity signaling independent of its phosphorylation activity Bine Simonsen, Henriette Rübsam, Marie Vogel Kolte, Maria Meisner Larsen, Christina Krönauer, Kira Gysel, Mette Laursen, Feng Feng, Gülendam Kaya, Giles E. D. Oldroyd, Jens Stougaard, Sébastien Fort, Simona Radutoiu, Kasper Røjkjær Andersen
New Phytologist, 118 Mar 2025 DOI: 10.1111/nph.70067 Structure of the outer membrane transporter fema and its role in the uptake of ferric dihydro-aeruginoic acid and ferric aeruginoic acid in Pseudomonas aeruginosa Virginie Will, Lucile Moynie, Elise Si Ahmed Charrier, Audrey Le Bas, Lauriane Kuhn, Florian Volck, Johana Chicher, Hava Aksoy, Morgan Madec, Cyril Antheaume, Gaëtan L. A. Mislin, Isabelle J. Schalk
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Acta Crystallographica Section D Structural Biology, 81 Mar 2025 DOI: 10.1107/S205979832500110X Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Pseudomonas aeruginosa acyl-CoA dehydrogenases and structure-guided inversion of their substrate specificity Meng Wang, Prasanthi Medarametla, Thales Kronenberger, Tomas Deingruber, Paul Brear, Wendy Figueroa, Pok-Man Ho, Thomas Krueger, James C. Pearce, Antti Poso, James G. Wakefield, David R. Spring, Martin Welch
Nature Communications, 16 Mar 2025 DOI: 10.1038/s41467-025-57532-z Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access Morita–Baylis–Hillman adduct chemistry as a tool for the design of lysine-targeted covalent ligands Marco Paolino, Giusy Tassone, Paolo Governa, Mario Saletti, Matteo Lami, Riccardo Carletti, Filippo Sacchetta, Cecilia Pozzi, Maurizio Orlandini, Fabrizio Manetti, Massimo Olivucci, Andrea Cappelli
Acs Medicinal Chemistry Letters, 16 Mar 2025 DOI: 10.1021/acsmedchemlett.4c00479 Discovery of a series of covalent ligands that bind to Cys77 of the Von Hippel–Lindau Tumor Suppressor Protein (VHL) Simon C. C. Lucas, Yong Xu, Sarah Hewitt, Gavin W. Collie, Lucia Fusani, Ganesh Kadamur, Thomas E. Hadfield, Nancy Su, Caroline Truman, Sylvain Demanze, Haie Hao, Christopher Phillips
Acs Medicinal Chemistry Letters, Mar 2025 DOI: 10.1021/acsmedchemlett.4c00582 Bacterial transcriptional repressor NrdR - a flexible multifactorial nucleotide sensor Inna Rozman Grinberg, Ornella Bimaï, Saher Shahid, Lena Philip, Markel Martinez-Carranza, Ipsita Banerjee, Daniel Lundin, Pal Stenmark, Britt-Marie Sjöberg, Derek T. Logan
The Febs Journal, Mar 2025 DOI: 10.1111/febs.70037 Discovery of mono-ADP ribosylating toxins with high structural homology to Pseudomonas exotoxin A Geoffrey Masuyer, Alistair Taverner, Julia Mackay, Ana Rita Lima Marques, Yuye Wang, Tom Hunter, Keyi Liu, Randall J. Mrsny
Communications Biology, 8 Mar 2025 DOI: 10.1038/s42003-025-07845-y Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Design of orthogonal constant domain interfaces to aid proper heavy/light chain pairing of bispecific antibodies Kyle A. Barlow, Michael B. Battles, Michael E. Brown, Kaleigh Canfield, Xiaojun Lu, Heather Lynaugh, Morgan Morrill, C. Garrett Rappazzo, Saira P. Reyes, Chanita Sandberg, Beth Sharkey, Christin Strong, Jingfu Zhao, Arvind Sivasubramanian
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Communications Chemistry, 8 Mar 2025 DOI: 10.1038/s42004-025-01448-8 Pseudomonas aeruginosa PfpI is a methylglyoxalase Larson Grimm, Andre Wijaya, Isabel Askenasy, Rahan Rudland Nazeer, Hikaru Seki, Paul D. Brear, Wendy Figueroa, David R. Spring, Martin Welch
Journal Of Biological Chemistry, 2 Mar 2025 DOI: 10.1016/j.jbc.2025.108374 Sequence rules for a long SPOP-binding degron required for protein ubiquitylation Linda Makhlouf, Mukul Mishra, Hannah Makhlouf, Iain Manfield, Luca Busino, Elton Zeqiraj
Biochemical Journal, Mar 2025 DOI: 10.1042/BCJ20253041 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Reversible small molecule multivariant ras inhibitors display tunable affinity for the active and inactive forms of Ras Charles W. Parry, Francesca Pellicano, Alexander W. Schuettelkopf, Kim S. Beyer, Justin Bower, Amy Bryson, Kenneth Cameron, Nichole M. Cerutti, Jonathan P. Clark, Stuart C. Davidson, Keneth Davies, Martin J. Drysdale, Jeffrey Engelman, Anna Estevan-Barber, Andrea Gohlke, Christopher H. Gray, Daniel A. Guthy, Min Hong, Alana Hopkins, Luke D. Hutchinson, Jennifer Konczal, Michel Maira, Duncan Mcarthur, Mokdad Mezna, Heather Mckinnon, Ridvan Nepravishta, Nils Ostermann, Camila C. Pasquali, Katie Pollock, Angelo Pugliese, Nicholas Rooney, Niko Schmiedeberg, Paul Shaw, Camilo Velez-Vega, Christopher West, Ryan West, Frederic Zecri, John B. Taylor
Journal Of Medicinal Chemistry, 49 Mar 2025 DOI: 10.1021/acs.jmedchem.4c02929 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Determining T-cell receptor binding orientation and Peptide-HLA interactions using cross-linking mass spectrometry Thomas Powell, Vijaykumar Karuppiah, Saher Afshan Shaikh, Robert Pengelly, Nicole Mai, Keir Barnbrook, Amit Sharma, Stephen Harper, Martin Ebner, Andrew J. Creese
Journal Of Biological Chemistry, 20 Mar 2025 DOI: 10.1016/j.jbc.2025.108445 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access Molecular basis underpinning MR1 allomorph recognition by an MR1-restricted T cell receptor Richard J. Suckling, Cevriye Pamukcu, Robert A. Simmons, Daniel Fonseca, Emma Grant, Rory Harrison, Saher A. Shaikh, Rahul C. Khanolkar, Hemza Ghadbane, Andrew Creese, Miriam Hock, Thomas G. Gligoris, Marco Lepore, Vijaykumar Karuppiah, Mariolina Salio
Frontiers In Immunology, 16 Mar 2025 DOI: 10.3389/fimmu.2025.1547664 Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy Joseph A Newman, Angeline E. Gavard, Nergis Imprachim, Hazel Aitkenhead, Hadley E. Sheppard, Robert Te Poele, Paul A. Clarke, Mohammad Anwar Hossain, Louisa Temme, Hans J. Oh, Carrow I. Wells, Zachary W. Davis-Gilbert, Paul Workman, Opher Gileadi, David H. Drewry
Nature Communications, 16 Feb 2025 DOI: 10.1038/s41467-025-56213-1 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access Characterization of a second class Ie ribonucleotide reductase Juliane John, Daniel Lundin, Rui M. Branca, Rohit Kumar, Vivek Srinivas, Hugo Lebrette, Martin Högbom
Communications Biology, 8 Feb 2025 DOI: 10.1038/s42003-025-07565-3 Structural and functional characterization of the extended-diKH domain from the antiviral endoribonuclease KHNYN Rebecca L. Youle, María José Lista, Clement Bouton, Simone Kunzelmann, Harry Wilson, Matthew A. Cottee, Andrew G. Purkiss, Elizabeth R. Morris, Stuart J. D. Neil, Ian A. Taylor, Chad M. Swanson
Journal Of Biological Chemistry, 297 Feb 2025 DOI: 10.1016/j.jbc.2025.108336 Bacterial polysaccharide lyase family 33: Specificity from an evolutionarily conserved binding tunnel Mélanie Loiodice, Elodie Drula, Zak Mciver, Svetlana Antonyuk, Arnaud Basle, Marcelo Lima, Edwin A. Yates, Dominic P. Byrne, Jamie Coughlan, Andrew Leech, Shahram Mesdaghi, Daniel J. Rigden, Sophie Drouillard, William Helbert, Bernard Henrissat, Nicolas Terrapon, Gareth S. A. Wright, Marie Couturier, Alan Cartmell
Proceedings Of The National Academy Of Sciences, 122 Feb 2025 DOI: 10.1073/pnas.2421623122 Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access MTA-cooperative PRMT5 inhibitors: mechanism switching through structure-based design Kevin M. Cottrell, Douglas A. Whittington, Kimberly J. Briggs, Haris Jahic, Janid A. Ali, Alvaro J. Amor, Deepali Gotur, Matthew R. Tonini, Wenhai Zhang, Alan Huang, John P. Maxwell
Journal Of Medicinal Chemistry, 68 Feb 2025 DOI: 10.1021/acs.jmedchem.4c01998 Sulfoglycolysis sustains Eubacterium rectale in low-fiber diets Mahima Sharma, Nicholas Pudlo, Michael A. Järvå, Arashdeep Kaur, Alan John, Laura Burchill, James P. Lingford, Ruwan Epa, Palika Abayakoon, Nichollas E. Scott, Johan P. Turkenburg, Gideon J. Davies, Eric C. Martens, Ethan D. Goddard-Borger, Spencer J. Williams
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Nature Communications, 16 Feb 2025 DOI: 10.1038/s41467-025-56893-9 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Structure and activity of a phosphinothricin N-acetyltransferase (PSPTO_3321) from Pseudomonas syringae pv. tomato DC3000 Anna M. Davies, David Trentham, Brian J. Sutton, Paul R. Brown
Biochemical And Biophysical Research Communications, 6 Feb 2025 DOI: 10.1016/j.bbrc.2025.151539 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography Investigation into the effect of phenylalanine gating on anaerobic haem breakdown using the energy landscape approach Alasdair D. Keith, Elizabeth B. Sawyer, Desmond C. Y. Choy, James L. Cole, Cheng Shang, George S. Biggs, Oskar J. Klein, Paul D. Brear, David J. Wales, Paul D. Barker
Protein Science, 34 Feb 2025 DOI: 10.1002/pro.5243 Discovery and optimization of pyrazine carboxamide AZ3246, a selective HPK1 inhibitor Jason D. Shields, David Baker, Amber Y. S. Balazs, Gayathri Bommakanti, Robert Casella, Shenggen Cao, Steve Cook, Randolph A. Escobar, Stephen Fawell, Francis D. Gibbons, Kathryn A. Giblin, Frederick W. Goldberg, Eric Gosselin, Tyler Grebe, Niresh Hariparsad, Holia Hatoum-Mokdad, Rachel Howells, Samantha J. Hughes, Anne Jackson, Iswarya Karapa Reddy, Jason G. Kettle, Gillian M. Lamont, Scott Lamont, Min Li, Sten O. Nilsson Lill, Deanna A. Mele, Anthony J. Metrano, Adelphe M. Mfuh, Lucas A. Morrill, Bo Peng, Alexander Pflug, Theresa A. Proia, Hadi Rezaei, Ryan Richards, Magdalena Richter, Kevin J. Robbins, Maryann San Martin, Marianne Schimpl, Alwin G. Schuller, Li Sha, Minhui Shen, James E. Sheppeck, Meha Singh, Stephen Stokes, Kun Song, Yuanyuan Sun, Haoran Tang, David J. Wagner, Jianyan Wang, Yanjun Wang, David M. Wilson, Allan Wu, Chengyan Wu, Dedong Wu, Ye Wu, Kevin Xu, Yue Yang, Tieguang Yao, Minwei Ye, Andrew X. Zhang, Hui Zhang, Xiang Zhai, Yanxiao Zhou, Robert E. Ziegler, Neil P. Grimster
Journal Of Medicinal Chemistry, Feb 2025 DOI: 10.1021/acs.jmedchem.4c02631 Transcriptome-scale analysis uncovers conserved residues in the hydrophobic core of the bacterial RNA chaperone Hfq required for small regulatory RNA stability Josh Mcquail, Miroslav Krepl, Kai Katsuya-Gaviria, Aline Tabib-Salazar, Lynn Burchell, Thorsten Bischler, Tom Gräfenhan, Paul Brear, Jiří Šponer, Ben F. Luisi, Sivaramesh Wigneshweraraj
Nucleic Acids Research, 53 Feb 2025 DOI: 10.1093/nar/gkaf019 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Development of D-box peptides to inhibit the anaphase promoting complex/cyclosome Rohan Eapen, Cynthia Okoye, Christopher Stubbs, Marianne Schimpl, Thomas Tischer, Eileen Mccall, Maria Zacharopoulou, Fernando Ferrer, David Barford, David Spring, Cath Lindon, Christopher Phillips, Laura S. Itzhaki
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The Febs Journal, 389 Jan 2025 DOI: 10.1111/febs.17384 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access Capture, mutual inhibition and release mechanism for aPKC–Par6 and its multisite polarity substrate Lgl Christopher P. Earl, Mathias Cobbaut, André Barros-Carvalho, Marina E. Ivanova, David C. Briggs, Eurico Morais-De-Sá, Peter J. Parker, Neil Q. Mcdonald
Nature Structural & Molecular Biology, 23 Jan 2025 DOI: 10.1038/s41594-024-01425-0 Confinement and catalysis within de novo designed peptide barrels Rokas Petrenas, Olivia A. Hawkins, Jacob F. Jones, D. Arne Scott, Jordan Fletcher, Ulrike Obst, Lucia Lombardi, Fabio Pirro, Graham J. Leggett, Thomas A. A. Oliver, Derek N. Woolfson
Journal Of The American Chemical Society, Jan 2025 DOI: 10.1021/jacs.4c16633 A metal-trap tests and refines blueprints to engineer cellular protein metalation with different elements Sophie E. Clough, Tessa R. Young, Emma Tarrant, Andrew J. P. Scott, Peter T. Chivers, Arthur Glasfeld, Nigel J. Robinson
Nature Communications, 16 Jan 2025 DOI: 10.1038/s41467-025-56199-w Highly optimized CNS penetrant inhibitors of EGFR Exon20 insertion mutations William Mccoull, Clare Thomson, Erin Braybrooke, Christina Chan, Nicola Colclough, Miguel A. Cortés González, Sabina Cosulich, Nichola L. Davies, Nicolas Floc’h, Ryan Greenwood, David Hargreaves, Peng Huang, Thomas A. Hunt, Tony Johnson, Peter Johnström, Jason G. Kettle, Mikhail Kondrashov, Demetrios H. Kostomiris, Songlei Li, Andrew Lister, Scott Martin, Darren Mckerrecher, Neville Mclean, J. Willem M. Nissink, Jonathan P. Orme, Paige Orwig, Martin J. Packer, Stuart Pearson, Lina Qin, Catarina Felisberto-Rodrigues, Adriana Savoca, Magnus Schou, Stephen Stokes, Aisha M. Swaih, Sara Talbot, Michael J. Tucker, Richard A. Ward, Emma Wadforth, Chunli Wang, Joanne Wilson, Yawen Yang
Journal Of Medicinal Chemistry, Jan 2025 DOI: 10.1021/acs.jmedchem.4c02811 
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