An allantoin-inducible glyoxylate utilization pathway in Pseudomonas aeruginosa Susannah L. Parkhill, Olivia Little, Isabel Askenasy, Edoardo Labrini, Meng Wang, Paul D. Brear, Wei Cai, Tomas Deingruber, Tianyi Yang, David R. Spring, Martin Welch
Microbiology, 171 Dec 2025 DOI: 10.1099/mic.0.001635 Synthesis, photochemical and biological evaluation of novel photoswitchable glycomimetic ligands of Pseudomonas aeruginosa LecB Shapla Bhattacharya, Giorgia Tempra, Alessio Colleoni, Carlo Matera, Rossella Castagna, Emilio Parisini
Rsc Advances, 15 Dec 2025 DOI: 10.1039/D5RA06897E On the mechanism of K+ transport through the inter-subunit tunnel of KdpFABC Hridya Valia Madapally, Adel Hussein, Martin Wazar Eriksen, Bjorn Panyella Pedersen, David L. Stokes, Himanshu Khandelia
Journal Of General Physiology, 158 Dec 2025 DOI: 10.1085/jgp.202513794 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Optimization and chemoproteomic profiling of a selective, covalent Bfl-1-targeting cellular tool J. Henry Blackwell, Simon C. C. Lucas, Giovanni Battocchio, Ulf Börjesson, Mark J. Bostock, Erin L. Braybrooke, Tony Cheung, Matthew A. Cottee, Kevin C. Beaumont, Andrea Gohlke, David Hargreaves, Maaike Van Hoek- Emmelot, Vera Van Hoeven, Chimed Jansen, Aarti Kawatkar, Olaf Kinzel, Praveen Kumar, Lea Kupcova, Michael D. Lainchbury, Leonardo Leon, Alexander G. Milbradt, Adeline Palisse, Markus Schade, Kim Van Rijbroek, Claudia Sacchetto, Rick Schellekens, Nancy Su, Hua Xu, Heng Zhao, Yunhua Chen, Shen Huang
Journal Of Medicinal Chemistry, 2021 Dec 2025 DOI: 10.1021/acs.jmedchem.5c02581 Chymotrypsin digestion analysis of glycyl radical and B12-dependent radical enzymes indicates common substrate-induced structural shifts Estere Mitjkova, Kaspars Tars, Gints Kalnins
Scientific Reports, 52 Dec 2025 DOI: 10.1038/s41598-025-28641-y KHNYN is a manganese-dependent endoribonuclease required for ZAP-mediated antiviral restriction Rebecca L. Youle, Maria Jose Lista, Emma L. Brudenell, Bradley Thompson, Clement Bouton, Elizabeth R. Morris, Stuart J. D. Neil, Chad M. Swanson, Ian A. Taylor
Nucleic Acids Research, 53 Dec 2025 DOI: 10.1093/nar/gkaf1360 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Discovery and characterization of diverse non-nucleotide inhibitors of DNPH1 using an integrated hit finding strategy Benjamin C. Whitehurst, Niall A. Anderson, Argyrides Argyrou, Peter Astles, Bernard Barlaam, Elaine B. Cadogan, Luca Carlino, Gavin W. Collie, Alex Edwards, Linda Kitching, Yaqin Li, Alexander G. Milbradt, Jenni Nikkilä, Sarah Northall, Sara Pahlén, Saleha Patel, Wendy Savory, Markus Schade, Jonathan A. Spencer, Darren Stead, Christopher J. Stubbs, Aquan Wang, Wenxin Wang
Acs Medicinal Chemistry Letters, Dec 2025 DOI: 10.1021/acsmedchemlett.5c00651 Structure and mechanism of the broad spectrum CRISPR-associated ring nuclease Crn4 Haotian Chi, Ville Hoikkala, Stephen Mcmahon, Shirley Graham, Tracey Gloster, Malcolm F. White
Nature Communications, 18 Dec 2025 DOI: 10.1038/s41467-025-67607-6 Targeting Tenascin-C-Toll-like Receptor 4 signalling with Adhiron-derived small molecules - a viable strategy for reducing fibrosis in systemic sclerosis Thembaninkosi Gaule, Katie J. Simmons, Kieran Walker, Francesco Del Galdo, Rebecca L. Ross, Hema Viswambharan, Jahnavi Krishnappa, Jack Pacey, Martin Mcphillie, Darren C. Tomlinson, Azhar Maqbool
Bioorganic Chemistry, 167 Dec 2025 DOI: 10.1016/j.bioorg.2025.109251 Consequences of peptide macrocyclization revealed by virus-inspired β-hairpin mimetics Anna L. Bula, Raitis Bobrovs, Pavel Arsenyan, Teodors Pantelejevs
Acs Chemical Biology, 567 Dec 2025 DOI: 10.1021/acschembio.5c00834 Fluorescent binding assay for allosteric ligands of liver pyruvate kinase Oscar Nilsson, Agnieszka Bogucka, István Köteles, Liliana Håversen, Sara Liljenberg, Mikael Rutberg, Marko Hyvonen, Morten Grøtli
European Journal Of Medicinal Chemistry, 298 Nov 2025 DOI: 10.1016/j.ejmech.2025.117989 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access State-selective small molecule degraders that preferentially remove aggregates and oligomers Jakub Luptak, Dean Clift, Aamir Mukadam, Jonathan Benn, Tyler Rhinesmith, Stephen H. Mclaughlin, Amy C. Dodds, Jerson E. Lapetaje, Matylda Sczaniecka-Clift, David J. France, William A. Mcewan, Leo C. James
Nature Communications, 16 Nov 2025 DOI: 10.1038/s41467-025-65454-z Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Understanding mechanisms of nuclear transport during viral infection Emily Cross
Nov 2025 Thesis B21-High Throughput SAXS I04-Macromolecular Crystallography
Use of direct-to-biology strategies for the discovery of 2′-deoxynucleoside 5′-monophosphate N-glycosidase (DNPH1) PROTACs Niall A. Anderson, Bernard Barlaam, Argyrides Argyrou, Peter C. Astles, Hanna Bruss, Elaine B. Cadogan, Luca Carlino, Luz Alonso-Crisostomo, Gavin W. Collie, Alex J. Edwards, Anastasiia Gryniukova, James Hall, Kunzah Jamal, Joshua Kent, Linda Kitching, Christopher Kourra, Carolyn Lam, Alexander G. Milbradt, Jenni Nikkilä, Sarah Northall, Mark J. O’connor, Jeroen Overman, Claudio Pathe, Wendy Savory, Daniel Slade, Jonathan A. Spencer, Darren Stead, Christopher J. Stubbs, Benjamin C. Whitehurst, Sabrina Winfield
Journal Of Medical Chemistry, 68 Nov 2025 DOI: 10.1021/acs.jmedchem.5c02337 A viral SAVED protein with ring nuclease activity degrades the CRISPR second messenger cA4 Marta Orzechowski, Ville Hoikkala, Haotian Chi, Stephen Mcmahon, Tracey Gloster, Malcolm F. White
Biochemical Journal, 482 Nov 2025 DOI: 10.1042/BCJ20253271 Ribonuclease toxin RelE1 inhibits growth of Mycobacterium tuberculosis through specific cleavage of the ribosomal anti-Shine-Dalgarno region Xue Han, Izaak N. Beck, Moise Mansour, Tom J. Arrowsmith, Roland Barriot, Paul Chansigaud, Carine Pagès, Hussein Hamze, Hatice Akarsu, Laurent Falquet, Peter Redder, Xibing Xu, Tim R. Blower, Pierre Genevaux
Nucleic Acids Research, 53 Nov 2025 DOI: 10.1093/nar/gkaf1070 The novel GlcNAc 6-phosphate dehydratase NagS governs a metabolic checkpoint that controls nutrient signaling in Streptomyces Chao Li, Mia Urem, Ioli Kotsogianni, Josephine Lau, Chao Du, Somayah S. Elsayed, Nathaniel I. Martin, Iain W. Mcnae, Patrick Voskamp, Christoph Mayer, Sébastien Rigali, Navraj Pannu, Jan P. Abrahams, Lennart Schada Von Borzyskowski, Gilles P. Van Wezel
Plos Biology, 23 Nov 2025 DOI: 10.1371/journal.pbio.3003514 Talin-tensin3 interactions regulate fibrillar adhesion formation and tensin3 phase separation Xingchen Li, Rafaella Konstantinou, Vinod Kumar Meena, Saba Notash, Komal Khalil, Tom Whalley, Paul Atherton, Igor Barsukov, Thomas Zacharchenko, Christoph Ballestrem
Journal Of Cell Biology, 225 Nov 2025 DOI: 10.1083/jcb.202503155 Coordination of a dirhodium(II) center to methionine and cysteine side chains: evidence from X-ray structure of the adduct formed by dirhodium tetraacetate with a C-phycocyanin Giarita Ferraro, Paola Imbimbo, Romualdo Troisi, Daria Maria Monti, Antonello Merlino
International Journal Of Molecular Sciences, 26 Nov 2025 DOI: 10.3390/ijms262311492 Discovery and optimization of a non-nucleoside-based series of inhibitors of 2′-deoxynucleoside 5′-monophosphate glycosidase (DNPH1) Bernard Barlaam, Luz Alonso-Crisostomo, Niall A. Anderson, Argyrides Argyrou, Peter C. Astles, Elaine B. Cadogan, Luca Carlino, Gavin W. Collie, Nichola L. Davies, James Hall, Linda Kitching, Xianxi Li, Filippos Michopoulos, Alexander G. Milbradt, Jenni Nikkilä, Sarah Northall, Mark J. O'Connor , Xiaohiu Pei, Joseph Shaw, Danial Slade, Harriet Southgate, Darren Stead, Christopher J. Stubbs, Benjamin C. Whitehurst, Bin Xing, Yihao Yuan, Jie Zhou
Journal Of Medical Chemistry, Nov 2025 DOI: 10.1021/acs.jmedchem.5c02356 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography Identification and characterization of botulinum neurotoxin–like two-component toxins in Paeniclostridium ghonii Pyung-Gang Lee, Linxiang Yin, Xin Wei, Jingyuan Shi, Geoffrey Masuyer, Travis G. Wentz, Pengsheng Chen, Ying Xu, Junjie Liang, Haonan Zhang, Sara Persson Kosenina, Briallen Lobb, Michael Mansfield, Sarjeet S. Gill, Sabine Pellett, Pal Stenmark, Andrew C. Doxey, Min Dong
Science Advances, 11 Nov 2025 DOI: 10.1126/sciadv.adx6145 Directed evolution of a beta‐lactamase samples a wide variety of conformational states Jing Sun, Monika Timmer, Steffen Brünle, Aimee L. Boyle, Marcellus Ubbink
Protein Science, 34 Nov 2025 DOI: 10.1002/pro.70322 Biocatalytic activation of sulfur heteroaromatics facilitates dearomatizing cross-couplings to set stereogenic centers or axes Anthony P. Green, David J. Procter, Órla Conboy, Emily Q. Rushworth, Christopher J. Taylor , Colin Levy, Mary Ortmayer, George F. S. Whitehead, Andy Yen, Ciro Roman
Journal Of The American Chemical Society, Nov 2025 DOI: 10.1021/jacs.5c16261 An asymmetric hydrogen atom transferase with an abiological thiophenol cofactor Hui Cao, Thomas R. Ward, Kailin Zhang, Vladimir Gorbachev, Tobias Vornholt, Kun Yu, Dongping Chen
Journal Of The American Chemical Society, Nov 2025 DOI: 10.1021/jacs.5c12516 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography The structure and function of extracellular redox enzymes Benjamin W. Nash
Nov 2025 Thesis B21-High Throughput SAXS I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
A fragment-based electrophile-first approach to target histidine with aryl-fluorosulfates: application to hMcl-1 Giulia Alboreggia, Kendall Muzzarelli, Zahra Assar, Maurizio Pellecchia
Journal Of Medical Chemistry, Nov 2025 DOI: 10.1021/acs.jmedchem.5c02199 Design of bicyclic peptide tandems mimicking the homodimeric GDF15 protein to inhibit GDF15-GFRaL-RET complex cell signaling Anaïs F. M. Noisier, Jenny Sandmark, Fredrik Edfeldt, Anna Backmark, Johan Broddefalk, Joanna Wandzik, Ulrik Jurva, Margareta Ek, Carina A. Johansson, Louise Barlind, Jenny Gunnarsson, Janna M. Bigalke, Yafeng Xue, Andrey I. Frolov, Cecilia Kankkonen, Robert G. Roth, Maria Fritsch, Sophie Watcham, Katerine Van Rietschoten, Gemma E. Mudd, Helen Harrison, Liuhong Chen, Michael J. Skynner, David J. Craik, Sunay V. Chankeshwara, Malin Lemurell
Journal Of Medicinal Chemistry, 647 Oct 2025 DOI: 10.1021/acs.jmedchem.5c01378 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography Yersinia ruckeri YRB periplasmic binding protein YiuA selectively recognizes a Fe(iii)-mono-catecholate siderophore Emil Thomsen, Seán Thompson, Parker R. Stow, Maren Cukor, Gideon Grogan, Anne-K. Duhme-Klair, Alison Butler
Chemical Communications, 3 Oct 2025 DOI: 10.1039/D5CC05103G Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography Using dose aware and unattended data collection modes on the variable and microfocus macromolecular crystallography beamline I04 at Diamond Light Source Ralf Flaig, Pierpaolo Romano, David Aragao
Oct 2025 DOI: 10.1063/4.0000904 Advances of 3D microcrystals electron diffraction for transmembrane protein structure determination Giorgia Fiorini, Gebhard F. X. Schertler, Valérie Panneels
Biophysical Journal, Oct 2025 DOI: 10.1016/j.bpj.2025.10.027 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Improved nucleoside (2′-deoxy)ribosyltransferases maximize enzyme promiscuity while maintaining catalytic efficiency Peijun Tang, Greice M. Zickuhr, Alison L. Dickson, Christopher J. Harding, Suneeta Devi, Tomas Lebl, David J. Harrison, Rafael Da Silva, Clarissa M. Czekster
Acs Chemical Biology, 20 Oct 2025 DOI: 10.1021/acschembio.5c00120 Accelerating synchrotron MX beamlines: automated sample centering with machine learning and Bluesky orchestration David Aragao, Martin Savko, Dominic Oram, Kate Smith, William Shepard, Ralf Flaig
Oct 2025 DOI: 10.1063/4.0000839 Characterisation of an allosteric site in PLCγ enzymes and implications for development of their specific inhibitors Tom D. Bunney, Hunter G. Nyvall, Calum Macrae, Damjan Lalović, Ashley Gregory, Kyle I. P. Le Huray, Nikita Harvey, Nikos Pinotsis, Antreas C. Kalli, Christopher A. Waudby, John E. Burke, Matilda Katan
Biochemical Journal, 482 Oct 2025 DOI: 10.1042/BCJ20253358 Glycan recognition by collectin-11 drives SARS-CoV-2 infectivity and membrane injury of respiratory epithelial cells Anastasia Polycarpou, Tara Wagner-Gamble, Roseanna Greenlaw, Lauren O'Neill, Varsha Kanabar, Alanoud Alrehaili, Yusun Jeon, Jonathan Baker, Mona Bafadhel, Hataf Khan, Michael H. Malim, Marco Romano, Conrad A. Farrar, Dorota Smolarek, Rocio Martinez-Nunez, Katie J. Doores, Russell Wallis, Linda S. Klavinskis, Steven H. Sacks
Proceedings Of The National Academy Of Sciences, 122 Oct 2025 DOI: 10.1073/pnas.2521209122 Comparative structural analysis of Escherichia Coli cyay at room and cryogenic temperatures using macromolecular and serial crystallography Alaleh Shafiei, Nilufer Baldir, Jongbum Na, Jin Hae Kim, Hasan Demirci
Chembiochem, Oct 2025 DOI: 10.1002/cbic.202500442 Accelerated in silico discovery of SGR-1505: A potent MALT1 allosteric inhibitor for the treatment of mature B-cell malignancies Zhe Nie, Michael Trzoss, Andrew T. Placzek, Lynnie Trzoss, Goran Krilov, Shulu Feng, Morgan Lawrenz, Min Ye, Netonia Marshall, Karen H. Dingley, Robert D. Pelletier, W. George Lai, Jeffrey A. Bell, Haifeng Tang, Paul Devine, Zhijie Liu, Peter Skrdla, Roman Shimanovich, Matt Liu, Renchao Wang, Xiaoming Xu, Robert Abel, Karen Akinsanya, Wu Yin
Journal Of Medicinal Chemistry, Oct 2025 DOI: 10.1021/acs.jmedchem.5c01494 Probing the molecular determinants of Ty1 retrotransposon restriction specificity in yeast Sean L. Beckwith, Matthew A. Cottee, J. Adam Hannon-Hatfield, Abigail C. Newman, Emma C. Walker, Justin R. Romero, Jonathan P. Stoye, Ian A. Taylor, David J. Garfinkel
Plos Genetics, 21 Oct 2025 DOI: 10.1371/journal.pgen.1011898 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Exploiting the cryptic αd pocket of casein kinase 2α (CK2α) to deliver highly potent and selective Type 1 inhibitors Paul A. Glossop, Paul Brear, Susanne Wright, Neil Flanagan, Melanie S. Glossop, Charlotte A. L. Lane, Richard P. Butt, David R. Spring, Marko Hyvonen, Darren Cawkill
Journal Of Medicinal Chemistry, Oct 2025 DOI: 10.1021/acs.jmedchem.5c01807 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access StayRose: a photostable StayGold derivative red-shifted by genetic code expansion Will Scott, Esther Ivorra-Molla, Dipayan Akhuli, Teresa Massam-Wu, Pawel K. Lysyganicz, Rylie Walsh, Matthew Parent, Jonathan Cook, Lijiang Song, Abhishek Kumar, Falk Schneider, Masanori Mishima, Allister Crow, Mohan K. Balasubramanian
Journal Of Biological Chemistry, 40 Oct 2025 DOI: 10.1016/j.jbc.2025.110832 A structural basis for chaperone repression of stress signaling from the endoplasmic reticulum Lisa Neidhardt, Joanne Tung, Miriam Kuchersky, Jakub Milczarek, Vasileios Kargas, Katherine Stott, Rina Rosenzweig, David Ron, Yahui Yan
Molecular Cell, Oct 2025 DOI: 10.1016/j.molcel.2025.09.032 Journal Paper B21-High Throughput SAXS I04-Macromolecular Crystallography open access A 3.3-Å cryo-EM structure of an engineered high-affinity human prothrombinase complex Fatma Isik Ustok, Alexandre Faille, James A. Huntington
Blood, Oct 2025 DOI: 10.1182/blood.2025031527 Structural basis for inhibition of Mycobacterium tuberculosis α-methylacyl-CoA racemase by 2-arylthiopropanoyl-CoA inhibitor analogs Otsile O. Mojanaga, Timothy J. Woodman, Matthew D. Lloyd, K. Ravi Acharya
Journal Of Biological Chemistry, Oct 2025 DOI: 10.1016/j.jbc.2025.110848 Structure and analysis of a virulent chitinase from Listeria monocytogenes Saima Rehman, Maria Baczynska, Beichang Zhang, Christian D. Lorenz, James A. Garnett
Biochimica Et Biophysica Acta (bba) - Proteins And Proteomics, 1874 Oct 2025 DOI: 10.1016/j.bbapap.2025.141106 Journal Paper B21-High Throughput SAXS I04-Macromolecular Crystallography open access Phosphorylation as a candidate regulatory mechanism for effector recruitment to tankyrase Benjamin J. Broadway, Katie Pollock, Nora Cronin, Robert Rottapel, Frank Sicheri, Sebastian Guettler
Royal Society Open Science, 12 Oct 2025 DOI: 10.1098/rsos.250824 The cytochrome P450 decarboxylase from Staphylococcus aureus can produce a diene from a C18 monounsaturated fatty acid: A spectroscopic, structural and kinetic characterisation Lewis J. Williams, Michael T. Wilson, James A. Birrell, Harry W. Lang, Stephen G. Bell, Jonathan A. R. Worrall
Journal Of Inorganic Biochemistry, 275 Oct 2025 DOI: 10.1016/j.jinorgbio.2025.113117 Crystal structure of Candida antarctica Lipase B with a putative pro-peptide region Anil A. Sohail, Rosario Recacha, Lloyd W. Ruddock
Crystals, 15 Oct 2025 DOI: 10.3390/cryst15110927 Crystal structure of fatty acid thioesterase A bound by 129 fragments provides diverse development opportunities Ekaterina Kot, Matteo P. Ferla, Patricia H. Hollinshead, Charles W. E. Tomlinson, Daren Fearon, Jasmin C. Aschenbrenner, Lizbe Koekemoer, Max Winokan, Michael Fairhead, Xiaomin Ni, Rod Chalk, Katherine S. England, Laura Ortega Varga, Mark Greer Montgomery, Nicholas P. Mulholland, Frank Von Delft
Pest Management Science, 148 Sept 2025 DOI: 10.1002/ps.70199 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access Exploiting ALDH1A2 and ALDH1A3 isoform variability for crystallisation screening Sonia Siragusa, Silvia Garavaglia, Marco Mazzorana
Biochemical And Biophysical Research Communications, 780 Sept 2025 DOI: 10.1016/j.bbrc.2025.152469 Discovery of AZD8421: A potent CDK2 inhibitor with selectivity against other CDK family members and the human kinome Avipsa Ghosh, Afshan Ahmed, Konstantina Amoiradaki, Amber Y. S. Balazs, Bernard Barlaam, Michael S. Bodnarchuk, Gavin W. Collie, Ian L. Dale, Christopher R. Denz, Lisa Drew, Scott D. Edmondson, Jun Fan, Stephen Fawell, Frederick W. Goldberg, Ariamala Gopalsamy, Michael Grondine, Grace Guo, Sudhir M. Hande, Holia Hatoum-Mokdad, Alexander W. Hird, Rachel Howells, Jessie Hao-Ru Hsu, Jessica Hudson, Anne Jackson, Michelle L. Lamb, Gillian M. Lamont, Scott Lamont, Phillip A. Lichtor, Lisa Mcwilliams, David Milne, Scott N. Mlynarski, Priyanka Narasimhan, Matthew F. Peters, Alexander Pflug, Hannah Kate Pollard, Meile Qin, Corinne Reimer, Kevin J. Robbins, James Robinson, Li Sha, Hongyao She, James E. Sheppeck, Baljinder Singh, Kun Song, Qibin Su, Reem Telmesani, Scott Throner, Christina Vasalou, Lei Wang, Yanjun Wang, David M. Wilson, Poppy Winlow, Wenzhan Yang, Tieguang Yao, Yun Zhang, Zirong Zhang, Diana Zindel, Jeffrey W. Johannes
Journal Of Medicinal Chemistry, Sept 2025 DOI: 10.1021/acs.jmedchem.5c01478 Focused structure-based virtual screening identifies novel inhibitors of SOS1 Silvia Bonomo, Michael D. Lainchbury, Floriane Gibault, Sharan K. Bagal, J. Henry Blackwell, Jason Breed, Gavin W. Collie, Maxime Couturier, Coura Diène, Paolo Di Fruscia, Sean Gray, Craig Hughes, Dhadchayini Jeyaharan, Jason G. Kettle, Alexander G. Milbradt, Sarah Northall , Katherine Peters, Christopher J. Stubbs, Elizabeth Underwood, Yunhua Chen, Haie Hao
Acs Medicinal Chemistry Letters, 16 Sept 2025 DOI: 10.1021/acsmedchemlett.5c00302 Tumour-specific STING agonist synthesis via a two-component prodrug system Nai-Shu Hsu, Cong Tang, Raquel V. Mendes, Carlos Labão-Almeida, Caio V. Dos Reis, Ana R. Coelho, Marta C. Marques, Mar Cabeza Cabrerizo, Roman Misteli, Timothy P. C. Rooney, Marko Hyvonen, Francisco Corzana, Rita Fior, Gonçalo J. L. Bernardes
Nature Chemistry, 21 Sept 2025 DOI: 10.1038/s41557-025-01930-9 Design, modular synthesis and screening of 58 shape-diverse 3-D fragments Thomas D. Downes, S. Paul Jones, James D. Firth, John F. Darby, Amelia K. Gilio, Hanna F. Klein, Xinyu Wang, David C Blakemore, Claudia De Fusco, Stephen D. Roughley, Lewis R. Vidler, Maria A. Whatton, Alison Jo-Anne Woolford, Gail L. Wrigley, Roderick E. Hubbard, Gideon Davies, Peter O'Brien, Liang Wu
Chemical Science, Sept 2025 DOI: 10.1039/D5SC05819H Detection and characterisation of ligand-induced conformational changes in acetylcholine binding proteins using biosensors and X-ray crystallography Edward A. Fitzgerald, Daniela Cederfelt, Daria Kovryzhenko, Pierre Boronat, Bjarte A. Lund, Doreen Dobritzsch, Sven Hennig, Pablo Porragas Paseiro, Iwan De Esch, U. Helena Danielson
Rsc Chemical Biology, Aug 2025 DOI: 10.1039/D5CB00041F Discovery of small-molecule ligands for the E3 ligase STUB1/CHIP from a DNA-encoded library screen Simon C. C. Lucas, Alexander G. Milbradt, Jason Breed, Erwin De Genst, Anne Jackson, Alisa Solovyeva, Bryony Ackroyd, Matthias R. Bauer, Juntai Liu, David Longmire, Dušan Petrović, Emma L. Rivers, Christopher Stubbs, Poppy Winlow, Sana Bazzaz, Paige Dickson, Diana Gikunju, Marie-Aude Guié, John P. Guilinger, Christopher D. Hupp, Rachael Jetson, Anthony D. Keefe, Katherine Nugai, John T. S. Yeoman, Ying Zhang, Xian Feng, Dequan Yu, Christopher Phillips
Acs Medicinal Chemistry Letters, 16 Aug 2025 DOI: 10.1021/acsmedchemlett.5c00361 Mechanism and cellular actions of the potent AMPK inhibitor BAY-3827 Conchita Fraguas Bringas, Mohd Syed Ahanger, Joyceline Cuenco, Hongling Liu, Alex B. Addinsall, Maria Lindahl, Ashley J. Ovens, Mark A. Febbraio, Marc Foretz, Olga Göransson, John W. Scott, Elton Zeqiraj, Kei Sakamoto
Science Advances, 11 Aug 2025 DOI: 10.1126/sciadv.adx2434 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Tuning ubiquitin transfer by RING E3 ubiquitin ligases through the linchpin residue Mark A. Nakasone, Lori Buetow, Mads Gabrielsen, Syed F. Ahmed, Karolina A. Majorek, Gary J. Sibbet, Brian O. Smith, Danny T. Huang
Life Science Alliance, 8 Aug 2025 DOI: 10.26508/lsa.202503394 Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access Potent fluorescent probe for target-engagement studies of allosteric pyruvate kinase modulators Oscar Nilsson, Anna P. Valaka, Liliana Håversen, Agnieszka Bogucka, István Köteles, Paul Brear, Mikael Rutberg, Anders Gunnarsson, Marko Hyvonen, Morten Grøtli
Angewandte Chemie International Edition, 3 Aug 2025 DOI: 10.1002/anie.202513969 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Functional and structural insights into a thermostable (S)-selective amine transaminase and its improved substrate scope by protein engineering Stefania Patti, Simone A. De Rose, Michail N. Isupov, Ilaria Magrini Alunno, Sergio Riva, Erica Elisa Ferrandi, Jennifer A. Littlechild, Daniela Monti
Applied Microbiology And Biotechnology, 109 Aug 2025 DOI: 10.1007/s00253-025-13536-9 Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access Molecular basis of domain‐specific angiotensin I‐converting enzyme inhibition by the antihypertensive drugs enalaprilat, ramiprilat, trandolaprilat, quinaprilat and perindoprilat Kyle S. Gregory, Vinasha Ramasamy, Edward D. Sturrock, K. Ravi Acharya
The Febs Journal, 8 Aug 2025 DOI: 10.1111/febs.70232 De novo designed 3-helix bundle peptides and proteins with controlled topology and stability Xiyue Leng, Katherine I. Albanese, Lia R. Golub, Arthur A. Norman, Jonathan Clayden, Derek Woolfson
Chemical Science, Aug 2025 DOI: 10.1039/D5SC05576H Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Potassium binding by carbonyl clusters, halophilic adaptation and catalysis of Haloferax mediterranei D-2-hydroxyacid dehydrogenase Jessica Domenech, Nuttawan Pramanpol, Claudine Bisson, Sveta E. Sedelnikova, Joshua R. Barrett, Abdul A. A. B. Dakhil, Vitaliy Mykhaylyk, Ali S. Abdelhameed, Stephen E. Harding, David W. Rice, Patrick J. Baker, Juan Ferrer
Communications Biology, 8 Aug 2025 DOI: 10.1038/s42003-025-08587-7 Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography I23-Long wavelength MX open access Electrostatic interactions influence diazabicyclooctane inhibitor potency against OXA-48-like β-lactamases Joseph F. Hoff, Kirsty E. Goudar, Karina Calvopina, Michael Beer, Philip Hinchliffe, John M. Shaw, Catherine L. Tooke, Yuiko Takebayashi, Andrew F. Cadzow, Nicholas Harmer, Adrian J. Mulholland, Christopher J. Schofield, James Spencer
Rsc Medicinal Chemistry, Aug 2025 DOI: 10.1039/D5MD00512D Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access High-throughput evaluation of novel WRN inhibitors Haiyan Xu, Rachel L. Palte, Meredith M. Rickard, Soon Woo Kwon, Xiaomei Chai, Jing Yuan, John Bassett, Joseph Moran, Markus Koglin, Isaac Musisi, Minjia Zhang, Klaus Maskos, Marcel J. Tauchert, Yu-Shan Cheng, Zixiong Wang, Yi Yang, Abhisek Banerjee, Joanna L. Chen, Indu Bharathan, Lorena Rico, Kaitlyn Logan, My Sam Mansueto, Stuart Shumway, Joey L. Methot, Robert J. Bauer
Slas Discovery, 7 Aug 2025 DOI: 10.1016/j.slasd.2025.100266 A CD1c lipid agnostic T cell receptor bispecific engager redirects T cells against CD1c+ cells Rita Szoke-Kovacs, Sophie Khakoo, Victor Lopes Rangel, Pietro Della Cristina, Johanne Pentier, Rahul Khanolkar, Sam El-Ajouz, Robert Simmons, David K. Cole, Peter Gogolak, Mariolina Salio, Vijaykumar Karuppiah
Frontiers In Immunology, 16 Jul 2025 DOI: 10.3389/fimmu.2025.1614610 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Conformational dynamics and membrane insertion mechanism of B4GALNT1 in ganglioside synthesis Jack W. J. Welland, Henry G. Barrow, Phillip J. Stansfeld, Janet E. Deane
Nature Communications, 16 Jul 2025 DOI: 10.1038/s41467-025-60593-9 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Characterization of cryo-cooled silicon crystal monochromators via measurement of flux versus power Lucia Alianelli, Hossein Khosroabadi, John Sutter, Andrew C. Walters, Pierpaolo Romano, Kalotina Geraki, Francesco Carla, Jonathan Rawle, Sarah Barnett, Kawal Sawhney
Journal Of Synchrotron Radiation, 32 Jul 2025 DOI: 10.1107/S160057752500342X Journal Paper I04-Macromolecular Crystallography I07-Surface & interface diffraction I18-Microfocus Spectroscopy I19-Small Molecule Single Crystal Diffraction open access Structural basis of topoisomerase targeting by delafloxacin Shabir Najmudin, Xiao-Su Pan, Beijia Wang, Lata Govada, Naomi E. Chayen, Noelia Rubio, Milo S. P. Shaffer, Henry S. Rzepa, L. Mark Fisher, Mark R. Sanderson
Nature Communications, 16 Jul 2025 DOI: 10.1038/s41467-025-60688-3 Biochemical and structural insights into GMHpaB: A thermostable 4-Hydroxyphenylacetate-3-monooxygenase with dual cofactor versatility Nor Asyikin Che Husain, Azyyati Mohd Padzil, Azney Zuhaily Md. Taib, Nurulusna Che Zain, Mohd Faizal Abu Bakar, Kyle S. Gregory, K. Ravi Acharya, Mohd Anuar Jonet, Haryati Jamaluddin
International Journal Of Biological Macromolecules, 19 Jul 2025 DOI: 10.1016/j.ijbiomac.2025.146065 A porin-like protein used by bacterial predators defines a wider lipid-trapping superfamily Rebecca J. Parr, Yoann G. Santin, Giedrė Ratkevičiūte, Simon G. Caulton, Paul Radford, Dominik Gurvič, Matthew Jenkins, Matthew T. Doyle, Liam Mead, Augustinas Silale, Bert Van Den Berg, Timothy J. Knowles, R. Elizabeth Sockett, Phillip J. Stansfeld, Géraldine Laloux, Andrew L. Lovering
Nature Communications, 16 Jul 2025 DOI: 10.1038/s41467-025-61633-0 Macrocyclization of backbone N-methylated peptides by a prolyl oligopeptidase with a distinctive substrate recognition mechanism Emmanuel Matabaro, Haigang Song, Lukas Sonderegger, Fabio Gherlone, Andrew M. Giltrap, Sam Liver, Alvar D. Gossert, Markus Künzler, James H. Naismith
Chemical Science, 57 Jul 2025 DOI: 10.1039/D5SC03723A Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Antitrypanosomal quinazolines targeting lysyl-tRNA synthetase show partial efficacy in a mouse model of acute Chagas disease Lindsay B. Tulloch, Hugh Tawell, Annie E. Taylor, Marta Lopes Lima, Alice Dawson, Sandra Carvalho, Richard J. Wall, Victoriano Corpas-Lopez, Gourav Dey, Jack Duggan, Luma Godoy Magalhaes, Leah S. Torrie, Laura Frame, David Robinson, Stephen Patterson, Michele Tinti, George W. Weaver, William J. Robinson, Monica Cal, Marcel Kaiser, Pascal Mäser, Peter Sjö, Benjamin Perry, John M. Kelly, Amanda Fortes Francisco, Avninder S. Bhambra, Susan Wyllie
Science Translational Medicine, 17 Jul 2025 DOI: 10.1126/scitranslmed.adu4564 Fragment-based development of small molecule inhibitors targeting Mycobacterium tuberculosis cholesterol metabolism Madeline E. Kavanagh, Kirsty J. Mclean, Sophie H. Gilbert, Cecilia N. Amadi, Matthew Snee, Richard B. Tunnicliffe, Kriti Arora, Helena I. M. Boshoff, Alexander Fanourakis, Maria Jose Rebollo-Lopez, Fatima Ortega, Colin W. Levy, Andrew W. Munro, David Leys, Chris Abell, Anthony G. Coyne
Journal Of Medicinal Chemistry, Jul 2025 DOI: 10.1021/acs.jmedchem.5c00478 Journal Paper I02-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access Regulation of a phage defence island by RptR, a novel repressor that controls restriction–modification systems in diverse bacteria Yugeng Zhang, Marion Schuller, Ivan Ahel, Tim R. Blower, Rachel M. Exley, Christoph M. Tang
Nucleic Acids Research, 53 Jul 2025 DOI: 10.1093/nar/gkaf645 Ciprofloxacin inhibits Angiotensin I-Converting Enzyme (ACE) activity by binding at the exosite, distal to the catalytic pocket Kyle S. Gregory, Vinasha Ramasamy, Edward D. Sturrock, K. Ravi Acharya
Acs Bio & Med Chem Au, 5 June 2025 DOI: 10.1021/acsbiomedchemau.5c00089 PDZ-directed substrate recruitment is the primary determinant of specific 4E-BP1 dephosphorylation by PP1-Neurabin Roman O. Fedoryshchak, Karim El-Bouri, Dhira Joshi, Stephane Mouilleron, Richard Treisman
Elife, 13 June 2025 DOI: 10.7554/eLife.103403 Structural mechanisms of multimeric BTB E3 ligases and interactors Ashley E. Ramdass
June 2025 Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Discovery of inhibitors for bacterial Arr enzymes ADP-ribosylating and inactivating rifamycin antibiotics Juho Alaviuhkola, Sondos Abdulmajeed, Sven T. Sowa, Johan Pääkkönen, Lari Lehtio
Acs Chemical Biology, June 2025 DOI: 10.1021/acschembio.5c00164 The fast-evolving FIKK kinase family of Plasmodium falciparum can be inhibited by a single compound Hugo Belda, David Bradley, Evangelos Christodoulou, Stephanie D. Nofal, Malgorzata Broncel, David Jones, Heledd Davies, M. Teresa Bertran, Andrew G. Purkiss, Roksana W. Ogrodowicz, Dhira Joshi, Nicola O’reilly, Louise Walport, Andrew Powell, David House, Svend Kjaer, Antoine Claessens, Christian R. Landry, Moritz Treeck
Nature Microbiology, 10 June 2025 DOI: 10.1038/s41564-025-02017-4 Discovery and optimisation of a covalent ligand for TRIM25 and its application to targeted protein ubiquitination Katherine Mcphie, Diego Esposito, Jonathan Pettinger, Daniel Norman, Thilo Werner, Toby Mathieson, Jacob T. Bush, Katrin Rittinger
Chemical Science, 28 May 2025 DOI: 10.1039/D5SC01540E Rational selection of the monoclonal α-synuclein antibody amlenetug (Lu AF82422) for the treatment of α-synucleinopathies Pekka Kallunki, Florence Sotty, Katarina Willén, Michal Lubas, Laurent David, Malene Ambjørn, Ann-Louise Bergström, Louise Buur, Ibrahim Malik, Steffen Nyegaard, Thomas Thiilmark Eriksen, Berit O. Krogh, Jeffrey B. Stavenhagen, Kathrine J. Andersen, Lars Ø. Pedersen, Ersoy Cholak, Edward N. Van Den Brink, Rik Rademaker, Tom Vink, David Satijn, Paul W. H. I. Parren, Søren Christensen, Line R. Olsen, Josefine N. Søderberg, Sandra Vergo, Allan Jensen, Jan Egebjerg, Pernille Gry Wulff-Larsen, Mikkel N. Harndahl, Dina S. M. Damlund, Kaare Bjerregaard-Andersen, Karina Fog
Npj Parkinson'S Disease, 11 May 2025 DOI: 10.1038/s41531-024-00849-1 Fragment-based drug discovery for transthyretin kinetic stabilisers using a novel capillary zone electrophoresis method Wenjie Chen
Plos One, 20 May 2025 DOI: 10.1371/journal.pone.0323816 Journal Paper B23-Circular Dichroism I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus 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
Molecular Therapy, May 2025 DOI: 10.1016/j.ymthe.2025.04.042 A combined methodology for radiation damage mitigation and enzyme intermediate study in macromolecular crystals Samuel P. Foster
May 2025 DOI: 10.25392/leicester.data.29155316.v1 Thesis I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography VMXm-Versatile Macromolecular Crystallography microfocus Repurposing human Carbonic Anhydrase 2 for artificial photosynthesis: structural and functional role of selected transition metals Beatrice De Bonis
May 2025 Thesis I04-Macromolecular Crystallography
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 Characterization of a two-component kinase that initiates the bacterial catabolism of hydroxyphenylethanones Gara N. Dexter, Jason C. Grigg, Michael Zahn, Eloisa J. Wheatley, Jennifer Lian, William W. Mohn, Lindsay D. Eltis
Journal Of Biological Chemistry, 9 May 2025 DOI: 10.1016/j.jbc.2025.110210 Identification of the lydiamycin biosynthetic gene cluster in a plant pathogen guides structural revision and identification of molecular target Jonathan J. Ford, Javier Santos-Aberturas, Edward S. Hems, Joseph W. Sallmen, Lena A. K. Bögeholz, Guy Polturak, Anne Osbourn, Joseph A. Wright, Marina V. Rodnina, Danny Vereecke, Isolde M. Francis, Andrew W. Truman
Proceedings Of The National Academy Of Sciences, 122 May 2025 DOI: 10.1073/pnas.2424388122 Microfocus and variable beam size at the Diamond Light Source I04 beamline Pierpaolo Romano, Hossein Khosroabadi, David Aragao, Ralf Flaig
May 2025 DOI: 10.1088/1742-6596/3010/1/012051 Dose aware data collection on the variable and microfocus macromolecular crystallography beamline I04 at Diamond Light Source Ralf Flaig, Pierpaolo Romano, David Aragao
May 2025 DOI: 10.1088/1742-6596/3010/1/012096 Structures of α-galactosaminidases from the CAZy GH114 family and homologs defining a new GH191 family of glycosidases Christian Roth, Olga V. Moroz, Suzan A. D. Miranda, Lucas Jahn, Elena V. Blagova, Andrey A. Lebedev, Dorotea R. Segura, Mary A. Stringer, Esben P. Friis, Joao P. L. Franco Cairo, Gideon J. Davies, Keith S. Wilson
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 Molecular basis of acyl-CoA ester recognition by α-methylacyl-CoA racemase from Mycobacterium tuberculosis Otsile O. Mojanaga, Timothy J. Woodman, Matthew D. Lloyd, K. Ravi Acharya
Journal Of Biological Chemistry, 275 May 2025 DOI: 10.1016/j.jbc.2025.110302 A generic cross-seeding approach to protein crystallization Ido Caspy, Shan Tang, Dom Bellini, Fabrice Gorrec
Journal Of Applied Crystallography, 58 Apr 2025 DOI: 10.1107/S1600576725000457 Observation of the assembly of the nascent mineral core at the nucleation site of human mitochondrial ferritin Justin M. Bradley, Zinnia Bugg, Geoffrey R. Moore, Andrew m. Hemmings, Nick E. Le Brun
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
International Journal Of Biological Macromolecules, 77 Apr 2025 DOI: 10.1016/j.ijbiomac.2025.143118 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 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 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 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 Comparative analysis of STP6 and STP10 unravels molecular selectivity in sugar transport proteins Camilla Gottlieb Andersen, Laust Bavnhøj, Søren Brag, Anastasiia Bohush, Adriana Chrenkova, Jan Heiner Driller, Bjorn Panyella Pedersen
Proceedings Of The National Academy Of Sciences, 122 Apr 2025 DOI: 10.1073/pnas.2417370122 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography 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 Rational engineering of a thermostable α-oxoamine synthase biocatalyst expands the substrate scope and synthetic applicability Ben Ashley, Sam Mathew, Mariyah Sajjad, Yaoyi Zhu, Nikita Novikovs, Arnaud Basle, Jon Marles-Wright, Dominic J. Campopiano
Communications Chemistry, 8 Mar 2025 DOI: 10.1038/s42004-025-01448-8 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 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
Acs Chemical Biology, Mar 2025 DOI: 10.1021/acschembio.4c00820 Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Expansion of the diversity of dispersin scaffolds Alexandra Males, Olga V. Moroz, Elena Blagova, Astrid Munch, Gustav H. Hansen, Annette H. Johansen, Lars H. Østergaard, Dorotea R. Segura, Alexander Eddenden, Anne V. Due, Martin Gudmand, Jesper Salomon, Sebastian R. Sørensen, Joao Paulo L. Franco Cairo, Mark Nitz, Roland A. Pache, Rebecca M. Vejborg, Sandeep Bhosale, David J. Vocadlo, Gideon J. Davies, Keith S. Wilson
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 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 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 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 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 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 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
Mabs, 17 Mar 2025 DOI: 10.1080/19420862.2025.2479531 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 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 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 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 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 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
Journal Of Biological Chemistry, 473 Feb 2025 DOI: 10.1016/j.jbc.2025.108320 Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access Virtual fragment screening for DNA repair inhibitors in vast chemical space Andreas Luttens, Duc Duy Vo, Emma R. Scaletti, Elisée Wiita, Ingrid Almlöf, Olov Wallner, Jonathan Davies, Sara Kosenina, Liuzhen Meng, Maeve Long, Oliver Mortusewicz, Geoffrey Masuyer, Flavio Ballante, Maurice Michel, Evert Homan, Martin Scobie, Christina Kalderén, Ulrika Warpman Berglund, Andrii V. Tarnovskiy, Dmytro S. Radchenko, Yurii S. Moroz, Jan Kihlberg, Pål Stenmark, Thomas Helleday, Jens Carlsson
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 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 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 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 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 Structural enzymology of spirotetronate cyclases Monse Manzo Ruiz
Feb 2025 Thesis I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Molecular basis of human angiotensin‐1 converting enzyme inhibition by a series of diprolyl‐derived compounds Kyle S. Gregory, Gyles E. Cozier, Stephen Fienberg, Kelly Chibale, Edward D. Sturrock, K. Ravi Acharya
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 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
Elife, Jan 2025 DOI: 10.7554/eLife.104238 Investigating the consequences of substituting histidine ligands to hemes in the decaheme cytochrome MtrC Keir Whiting
Jan 2025 Thesis I04-Macromolecular Crystallography
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 UNC119 regulates T-cell receptor signalling in primary T cells and T acute lymphocytic leukaemia Youhani Samarakoon, Tamas Yelland, Esther Garcia-Gonzalez, Amauri Da Silva Justo Junior, Mahnoor Mahmood, Anand Manoharan, Shaun Patterson, Valentina Serafin, Payam A Gammage, Sandra Marmiroli, Christina Halsey, Shehab Ismail, Edward W. Roberts
Life Science Alliance, 8 Jan 2025 DOI: 10.26508/lsa.202403066