Instruments by Science Group
Macromolecular
Soft Condensed 
Imaging and
Biological
Magnetic
Structures and
Crystallography 
Spectroscopy I04-1 Contact
Beamline Phone Number:
+44 (0) 1235 778979
Principal Beamline Scientist:
Frank von Delft
Tel: +44 (0) 1235 778997
E-mail: [email protected]
Science Group Leader
Dave Hall
Email: [email protected]
Tel: +44 (0) 1235 778926
I04-1 Fixed wavelength MX
Status: Operational
Beamsize: 60 x 50
Detector: Eiger2 XE 9M
Wavelength: 0.92Å (fixed)
Energy: 13.445 keV
Detector: Eiger2 XE 9M
Wavelength: 0.92Å (fixed)
Energy: 13.445 keV
These publications are based on data gathered on beamline I04-1. If you are aware of any errors or publications that should be listed here, please send details to [email protected].
57 items found for 2025 [total: 1244]
Structure-activity-relationships can be directly extracted from high-throughput crystallographic evaluation of fragment elaborations in crude reaction mixtures Chemical Science, Dec 2025 DOI: 10.1039/D5SC04919A
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
A structural basis for the strain-dependent UDP-sugar specificity of glycosyltransferase C from the Limosilactobacillus reuteri accessory secretion system Acta Crystallographica Section D, 81 Dec 2025 DOI: 10.1107/S2059798325008782
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Molecular basis for occlusion of the jeilongvirus receptor-binding site by the elongated C-terminus Mbio, Nov 2025 DOI: 10.1128/mbio.01501-25
Conformational dynamics and asymmetry in multimodal inhibition of membrane-bound pyrophosphatases Elife, Nov 2025 DOI: 10.7554/eLife.102288
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Discovery of first-in-class inhibitors of the TRF1:TIN2 protein:protein interaction by fragment screening Scientific Reports, 15 Nov 2025 DOI: 10.1038/s41598-025-23858-3
Water networks as hydrophobic recognition motifs in proteins Angewandte Chemie International Edition, Nov 2025 DOI: 10.1002/anie.202521138
Combined crystallographic fragment screening and deep mutational scanning enable discovery of Zika virus NS2B-NS3 protease inhibitors Nature Communications, 16 Oct 2025 DOI: 10.1038/s41467-025-63602-z
Gluebodies offer a route to improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive close contacts Acs Central Science, Oct 2025 DOI: 10.1021/acscentsci.5c00937
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
AI-assisted delivery of novel covalent WRN inhibitors from a non-covalent fragment screen Bioorganic & Medicinal Chemistry Letters, 131 Oct 2025 DOI: 10.1016/j.bmcl.2025.130421
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Exploiting the cryptic αd pocket of casein kinase 2α (CK2α) to deliver highly potent and selective Type 1 inhibitors 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
Discovery of ORIC-533, an orally bioavailable CD73 inhibitor that maintains activity in high AMP environments to reverse tumor immunosuppression Journal Of Medical Chemistry, 68 Oct 2025 DOI: 10.1021/acs.jmedchem.5c02153
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Crystallographic fragment screening of the Dengue virus polymerase reveals multiple binding sites for the development of non-nucleoside antiflavivirals Journal Of Medicinal Chemistry, 276 Sept 2025 DOI: 10.1021/acs.jmedchem.5c01014
Heparanase-neutralizing monoclonal antibody (mAb A54) attenuates tumor growth and metastasis Cells, 14 Sept 2025 DOI: 10.3390/cells14171379
Crystal structure of fatty acid thioesterase A bound by 129 fragments provides diverse development opportunities 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
Crystal engineering of the hepatoma-derived growth factor-related protein 2 PWWP domain towards crystallographic fragment screening Acta Crystallographica Section F Structural Biology Communications, 81 Aug 2025 DOI: 10.1107/S2053230X25006302
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Tuning ubiquitin transfer by RING E3 ubiquitin ligases through the linchpin residue Life Science Alliance, 8 Aug 2025 DOI: 10.26508/lsa.202503394
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Harnessing free energy calculations for kinome-wide selectivity in drug discovery campaigns with a Wee1 case study Nature Communications, 16 Aug 2025 DOI: 10.1038/s41467-025-62722-w
Functional and structural insights into a thermostable (S)-selective amine transaminase and its improved substrate scope by protein engineering 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
Design and development of lysyl tRNA synthetase inhibitors, for the treatment of tuberculosis Journal Of Medicinal Chemistry, 15 Aug 2025 DOI: 10.1021/acs.jmedchem.5c01331
Fragment-based drug discovery of novel high-affinity, selective, and anti-inflammatory inhibitors of the Keap1-Nrf2 protein-protein interaction Angewandte Chemie International Edition, 15 Aug 2025 DOI: 10.1002/anie.202508121
Alcohol dehydrogenases for the asymmetric reduction of cyclic carbonyl compounds Aug 2025
Thesis I04-1-Macromolecular Crystallography (fixed wavelength)
Structures of “Tyrosine-IRED” IR91 from Kribbella flavida in complex with a reductive amination substrate and product Chembiochem, 22 Jul 2025 DOI: 10.1002/cbic.202500450
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
The human RIF1-Long isoform interacts with BRCA1 to promote recombinational fork repair under DNA replication stress Nature Communications, 16 Jul 2025 DOI: 10.1038/s41467-025-60817-y
Macrocyclization of backbone N-methylated peptides by a prolyl oligopeptidase with a distinctive substrate recognition mechanism 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
SAM-AMP lyases in type III CRISPR defence Nucleic Acids Research, 53 Jul 2025 DOI: 10.1093/nar/gkaf655
Crystallographic fragment screening reveals ligand hotspots in TRIM21 PRY-SPRY domain Communications Chemistry, 8 June 2025 DOI: 10.1038/s42004-025-01574-3
Structure and stabilization of the antigenic glycoprotein building blocks of the New World mammarenavirus spike complex Mbio, June 2025 DOI: 10.1128/mbio.01076-25
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Understanding the substrate recognition and catalytic mechanism of methyl fucosidases from glycoside hydrolase family 139 Journal Of Biological Chemistry, 11 June 2025 DOI: 10.1016/j.jbc.2025.110407
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Machine Learning for low-data drug discovery May 2025
Thesis I04-1-Macromolecular Crystallography (fixed wavelength)
Wnt signalosome assembly is governed by conformational flexibility of Axin and by the AP2 clathrin adaptor Nature Communications, 16 May 2025 DOI: 10.1038/s41467-025-59984-9
Expanding the molecular landscape of fragments binding to trypanothione reductase, a legitimate target for drug design against human African trypanosomiasis Frontiers In Chemical Biology, 4 May 2025 DOI: 10.3389/fchbi.2025.1605579
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Fragment-based drug discovery for transthyretin kinetic stabilisers using a novel capillary zone electrophoresis method 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 insights into the copper-containing nitrite reductase from Bradyrhizobium japonicum USDA110 and its role in the low nitrite reductase activity of rhizobia Archives Of Biochemistry And Biophysics, 4 May 2025 DOI: 10.1016/j.abb.2025.110467
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Inhibition of dimeric SARS-CoV-2 Mpro displays positive cooperativity and a mixture of covalent and non-covalent binding Iscience, May 2025 DOI: 10.1016/j.isci.2025.112773
Structures of α-galactosaminidases from the CAZy GH114 family and homologs defining a new GH191 family of glycosidases 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
Design of novel mercapto-3-phenylpropanoyl dipeptides as dual angiotensin-converting enzyme C–domain-selective/neprilysin inhibitors Journal Of Medicinal Chemistry, Apr 2025 DOI: 10.1021/acs.jmedchem.5c00329
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion European Journal Of Medicinal Chemistry, 399 Apr 2025 DOI: 10.1016/j.ejmech.2025.117563
Structure and unusual binding mechanism of the hyaluronan receptor LYVE-1 mediating leucocyte entry to lymphatics Nature Communications, 16 Mar 2025 DOI: 10.1038/s41467-025-57866-8
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Pseudomonas aeruginosa acyl-CoA dehydrogenases and structure-guided inversion of their substrate specificity 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
MdfA is a novel ClpC adaptor protein that functions in the developing Bacillus subtilis spore Genes & Development, Mar 2025 DOI: 10.1101/gad.352498.124
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
The conserved Spd-2/CEP192 domain adopts a unique protein fold to promote centrosome scaffold assembly Science Advances, 11 Mar 2025 DOI: 10.1126/sciadv.adr5744
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Reversible small molecule multivariant ras inhibitors display tunable affinity for the active and inactive forms of Ras 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 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
RNA methyltransferase SPOUT1/CENP-32 links mitotic spindle organization with the neurodevelopmental disorder SpADMiSS Nature Communications, 16 Feb 2025 DOI: 10.1038/s41467-025-56876-w
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Structure and activity of a phosphinothricin N-acetyltransferase (PSPTO_3321) from Pseudomonas syringae pv. tomato DC3000 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
Structures of the cyanobacterial nitrogen regulators NtcA and PipX complexed to DNA shed light on DNA binding by NtcA and implicate PipX in the recruitment of RNA polymerase Nucleic Acids Research, 53 Feb 2025 DOI: 10.1093/nar/gkaf096
Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy 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
Enhanced identification of small molecules binding to hnRNPA1 via cryptic pockets mapping coupled with X-Ray fragment screening Journal Of Biological Chemistry, 19 Feb 2025 DOI: 10.1016/j.jbc.2025.108335
Binding‐site purification of actives (B‐SPA) enables efficient large‐scale progression of fragment hits by combining multi‐step array synthesis with HT crystallography Angewandte Chemie International Edition, Feb 2025 DOI: 10.1002/anie.202424373
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Crystal structure of Anopheles gambiae actin depolymerizing factor explains high affinity to monomeric actin The Febs Journal, 54 Feb 2025 DOI: 10.1111/febs.70007
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Molecular analysis of carbohydrate recognition by Collectin-10 and Collectin-11 Feb 2025
Thesis I04-1-Macromolecular Crystallography (fixed wavelength)
Molecular basis of human angiotensin‐1 converting enzyme inhibition by a series of diprolyl‐derived compounds 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
Tearing down bacterial membranes with new antibiotics Jan 2025
Science Highlight I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Computational design of highly signalling-active membrane receptors through solvent-mediated allosteric networks Nature Chemistry, 166 Jan 2025 DOI: 10.1038/s41557-024-01719-2
KorB switching from DNA-sliding clamp to repressor mediates long-range gene silencing in a multi-drug resistance plasmid Nature Microbiology, 20 Jan 2025 DOI: 10.1038/s41564-024-01915-3
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Evaluating the impact of CRBN mutations on response to immunomodulatory drugs and novel CRBN-binding agents in myeloma Blood Journal, Jan 2025 DOI: 10.1182/blood.2024025861
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
The structural organisation of pentraxin-3 and its interactions with heavy chains of inter-α-inhibitor regulate crosslinking of the hyaluronan matrix Matrix Biology, 57 Jan 2025 DOI: 10.1016/j.matbio.2025.01.002
Journal Paper B21-High Throughput SAXS I04-1-Macromolecular Crystallography (fixed wavelength) Krios IV-Titan Krios IV at Diamond open access
- Harold Grosjean, Kate K Fieseler, Ruben Sanchez-Garcia, Warren A. Thompson, Charlotte M. Deane, Frank Von Delft, Philip Biggin, "Structure-activity-relationships can be directly extracted from high-throughput crystallographic evaluation of fragment elaborations in crude reaction mixtures", Chemical Science (2025), DOI: 10.1039/D5SC04919A
- Ryan Griffiths, Hans Pfalzgraf, Dimitris Latousakis, Gareth Ashworth, Changjiang Dong, Andrew Hemmings, Nathalie Juge, "A structural basis for the strain-dependent UDP-sugar specificity of glycosyltransferase C from the Limosilactobacillus reuteri accessory secretion system", Acta Crystallographica Section D, 81 (2025), DOI: 10.1107/S2059798325008782
- Alice J. Stelfox, Airah Javorsky, Robert Stass, Geoff Sutton, Kamel El Omari, Thomas A. Bowden, "Molecular basis for occlusion of the jeilongvirus receptor-binding site by the elongated C-terminus", Mbio (2025), DOI: 10.1128/mbio.01501-25
- Jianing Liu, Anokhi Shah, Xinyu Liu, Joshua L. Wort, Yue Ma, Katie Hardman, Niklas G. Johansson, Orquidea Ribeiro, Adam Brookfield, Jari Yli-Kauhaluoma, Henri Xhaard, Lars J. C. Jeuken, Adrian Goldman, Christos Pliotas, Keni Vidilaseris, Alice Bowen, "Conformational dynamics and asymmetry in multimodal inhibition of membrane-bound pyrophosphatases", Elife (2025), DOI: 10.7554/eLife.102288
- Giacomo Casale, Manjuan Liu, Yann-Vai Le Bihan, Oviya Inian, Ellie Stammers, John Caldwell, Rob Van Montfort, Ian Collins, Sebastian Guettler, "Discovery of first-in-class inhibitors of the TRF1:TIN2 protein:protein interaction by fragment screening", Scientific Reports, 15 (2025), DOI: 10.1038/s41598-025-23858-3
- Serena G. Piticchio, Miriam Martinez-Cartro, Salvatore Scaffidi, Sergio Rodríguez-Arévalo, Andrea Bagán, Ainoa Sánchez-Arfelis, Sarah Picaud, Tobias Krojer, Panagis Filippakopoulos, Carmen Escolano, Xavier Barril, Frank Von Delft, "Water networks as hydrophobic recognition motifs in proteins", Angewandte Chemie International Edition (2025), DOI: 10.1002/anie.202521138
- Xiaomin Ni, R. Blake Richardson, Andre Schutzer Godoy, Matteo P. Ferla, Caroline Kikawa, Jenke Scheen, William W. Hannon, Eda Capkin, Noa Lahav, Blake H. Balcomb, Peter G. Marples, Michael Fairhead, Siyi Wang, Eleanor P. Williams, Charles W. E. Tomlinson, Jasmin C. Aschenbrenner, Ryan Lithgo, Max Winokan, Charline Giroud, Isabela Dolci, Rafaela Sachetto Fernandes, Glaucius Oliva, Anu V. Chandran, Mary-Ann Xavier, Martin A. Walsh, Warren Thompson, Jesse D. Bloom, Nathaniel T. Kenton, Alpha A. Lee, Annette Von Delft, Haim Barr, Karla Kirkegaard, Lizbe Koekemoer, Daren Fearon, Matthew J. Evans, Frank Von Delft, "Combined crystallographic fragment screening and deep mutational scanning enable discovery of Zika virus NS2B-NS3 protease inhibitors", Nature Communications, 16 (2025), DOI: 10.1038/s41467-025-63602-z
- Mingda Ye, Mpho Makola, Mark W. Richards, Joseph A. Newman, Michael Fairhead, Selena G. Burgess, Zhihuang Wu, Elizabeth Maclean, Nathan D. Wright, Lizbe Koekemoer, Andrew Thompson, Gustavo Arruda Bezerra, Gangshun Yi, Huanyu Li, Victor Rangel, Dimitrios Mamalis, Hazel Aitkenhead, Benjamin G. Davis, Robert J. C. Gilbert, Katharina L. Duerr, Richard Bayliss, Opher Gileadi, Frank Von Delft, "Gluebodies offer a route to improve crystal reliability and diversity through transferable nanobody mutations that introduce constitutive close contacts", Acs Central Science (2025), DOI: 10.1021/acscentsci.5c00937
- Geoffrey M. T. Smith, Laksh Aithani, Charlotte E. Barrett, Alwin O. Bucher, Christopher D. O. Cooper, Sébastien L. Degorce, Andrew Dore, Catherine T. Fletcher, Sophie Huber, Rosemary Huckvale, Amanda J. Kennedy, Abigail A. Mornement, Mark Pickworth, Prakash Rucktooa, Conor C. G. Scully, Sarah E. Skerratt, "AI-assisted delivery of novel covalent WRN inhibitors from a non-covalent fragment screen", Bioorganic & Medicinal Chemistry Letters, 131 (2025), DOI: 10.1016/j.bmcl.2025.130421
- 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, "Exploiting the cryptic αd pocket of casein kinase 2α (CK2α) to deliver highly potent and selective Type 1 inhibitors", Journal Of Medicinal Chemistry (2025), DOI: 10.1021/acs.jmedchem.5c01807
- Jared T. Moore, Lori S. Friedman, Hiroyuki Kawai, Brian R. Blank, Kejia Wu, Chien-Hung Yeh, Liusheng Zhu, Johnny D. Pham, Yosup Rew, John Eksterowicz, Sumeet Salaniwal, Dena Sutimantanapi , Robert Warne, Natalie Yuen, Todd C. Metzger, Brenda Chan, Tom Huang, Xi Chen, Yuping Chen, Frank Duong , Wayne Kong, Jae H. Chang, Jessica D. Sun, Tatiana Zavorotinskaya, Quiping Ye, Mohammad A. Al-Sayah, Erica Jackson, Melissa R. Junttila, Valeria R. Fantin, Chudi O. Ndubaku, Daqing Sun, Xiaohui Du, "Discovery of ORIC-533, an orally bioavailable CD73 inhibitor that maintains activity in high AMP environments to reverse tumor immunosuppression", Journal Of Medical Chemistry, 68, 22145-22169 (2025), DOI: 10.1021/acs.jmedchem.5c02153
- Manisha Saini, Jasmin C. Aschenbrenner, Francesc Xavier Ruiz, Ashima Chopra, Anu V. Chandran, Peter G. Marples, Blake H. Balcomb, Daren Fearon, Frank Von Delft, Eddy Arnold, "Crystallographic fragment screening of the Dengue virus polymerase reveals multiple binding sites for the development of non-nucleoside antiflavivirals", Journal Of Medicinal Chemistry, 276 (2025), DOI: 10.1021/acs.jmedchem.5c01014
- Uri Barash, Malik Farhoud, Maali Odeh, Eliezer Huberman, Liang Wu, Israel Vlodavsky, "Heparanase-neutralizing monoclonal antibody (mAb A54) attenuates tumor growth and metastasis", Cells, 14 (2025), DOI: 10.3390/cells14171379
- 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, "Crystal structure of fatty acid thioesterase A bound by 129 fragments provides diverse development opportunities", Pest Management Science, 148 (2025), DOI: 10.1002/ps.70199
- Thibault Vantieghem, Evgenii M. Osipov, Steven Beelen, Sergei V. Strelkov, "Crystal engineering of the hepatoma-derived growth factor-related protein 2 PWWP domain towards crystallographic fragment screening", Acta Crystallographica Section F Structural Biology Communications, 81, 358 - 364 (2025), DOI: 10.1107/S2053230X25006302
- Mark A. Nakasone, Lori Buetow, Mads Gabrielsen, Syed F. Ahmed, Karolina A. Majorek, Gary J. Sibbet, Brian O. Smith, Danny T. Huang, "Tuning ubiquitin transfer by RING E3 ubiquitin ligases through the linchpin residue", Life Science Alliance, 8 (2025), DOI: 10.26508/lsa.202503394
- Jennifer Lynn Knight, Anthony J. Clark, Jiashi Wang, Andrew Placzek, Pieter H. Bos, Sathesh Bhat, Jeffrey A. Bell, Sarah Silvergleid, Wu Yin, Felicia Gray, Shaoxian Sun, Karen Akinsanya, Robert Abel, Aleksey I. Gerasyuto, "Harnessing free energy calculations for kinome-wide selectivity in drug discovery campaigns with a Wee1 case study", Nature Communications, 16 (2025), DOI: 10.1038/s41467-025-62722-w
- Stefania Patti, Simone A. De Rose, Michail N. Isupov, Ilaria Magrini Alunno, Sergio Riva, Erica Elisa Ferrandi, Jennifer A. Littlechild, Daniela Monti, "Functional and structural insights into a thermostable (S)-selective amine transaminase and its improved substrate scope by protein engineering", Applied Microbiology And Biotechnology, 109 (2025), DOI: 10.1007/s00253-025-13536-9
- Susan H. Davis, Michael Mathieson, Kirsteen I. Buchanan, Alice Dawson, Alasdair Smith, Mattia Cocco, Fabio K. Tamaki, John M. Post, Beatriz Baragaña, Chimed Jansen, Michael Kiczun, Fabio Zuccotto, Gavin Wood, Paul Scullion, Peter C. Ray, Ola Epemolu, Eva Maria Lopez-Román, Laura Guijarro López, Curtis A. Engelhart, Jia Kim, Paula A. Pino, Dirk Schnappinger, Kevin D. Read, Lourdes Encinas, Robert H. Bates, Paul G. Wyatt, Simon R. Green, Laura A. T. Cleghorn, "Design and development of lysyl tRNA synthetase inhibitors, for the treatment of tuberculosis", Journal Of Medicinal Chemistry, 15 (2025), DOI: 10.1021/acs.jmedchem.5c01331
- Chunyu Lin, Dilip Narayanan, Marilia Barreca, Cecilie Poulsen, Leandro Silva Da Costa, Xiangrong Chen, Kendall G. Wichman, Cherisse A. Charley, Jaslin L. Lindsay, Mahya Dezfouli, Dimitra Vlissari, Thomas S. Mortensen, Camilla B. Chan, Jingyi Wang, William Richardson, Charlotte E. Manning, Zhuoyao Chen, Jie Zang, Helena Käck, Michael Gajhede, Alex N. Bullock, David J. Blake, David Olagnier, Anders Bach, "Fragment-based drug discovery of novel high-affinity, selective, and anti-inflammatory inhibitors of the Keap1-Nrf2 protein-protein interaction", Angewandte Chemie International Edition, 15 (2025), DOI: 10.1002/anie.202508121
- [Thesis] Frances Stark, "Alcohol dehydrogenases for the asymmetric reduction of cyclic carbonyl compounds" (2025)
- Krishnan Srinivas, Amelia K. Gilio, Mahima Sharma, Lawrence Green, Alexander Ascham, Jack Domenech, Balázs Pogrányi, Jiacheng Li, Scott P. France, Russell D. Lewis, William P. Unsworth, Gideon Grogan, "Structures of “Tyrosine-IRED” IR91 from Kribbella flavida in complex with a reductive amination substrate and product", Chembiochem, 22 (2025), DOI: 10.1002/cbic.202500450
- Qianqian Dong, Matthew Day, Yuichiro Saito, Emma Parker, Lotte P. Watts, Masato T. Kanemaki, Antony W. Oliver, Laurence H. Pearl, Shin-Ichiro Hiraga, Anne D. Donaldson, "The human RIF1-Long isoform interacts with BRCA1 to promote recombinational fork repair under DNA replication stress", Nature Communications, 16 (2025), DOI: 10.1038/s41467-025-60817-y
- Emmanuel Matabaro, Haigang Song, Lukas Sonderegger, Fabio Gherlone, Andrew M. Giltrap, Sam Liver, Alvar D. Gossert, Markus Künzler, James H. Naismith, "Macrocyclization of backbone N-methylated peptides by a prolyl oligopeptidase with a distinctive substrate recognition mechanism", Chemical Science, 57 (2025), DOI: 10.1039/D5SC03723A
- Haotian Chi, Stephen Mcmahon, Lukas Daniel-Pedersen, Shirley Graham, Tracey M. Gloster, Malcolm F. White, "SAM-AMP lyases in type III CRISPR defence", Nucleic Acids Research, 53 (2025), DOI: 10.1093/nar/gkaf655
- Yeojin Kim, Aleksandar Lučić, Christopher Lenz, Frederic Farges, Martin P. Schwalm, Krishna Saxena, Thomas Hanke, Peter G. Marples, Jasmin C. Aschenbrenner, Daren Fearon, Frank Von Delft, Andreas Kramer, Stefan Knapp, "Crystallographic fragment screening reveals ligand hotspots in TRIM21 PRY-SPRY domain", Communications Chemistry, 8 (2025), DOI: 10.1038/s42004-025-01574-3
- Guido C. Paesen, Weng M. Ng, Simon Kimuda, Geoff Sutton, Katie J. Doores, Thomas A. Bowden, "Structure and stabilization of the antigenic glycoprotein building blocks of the New World mammarenavirus spike complex", Mbio (2025), DOI: 10.1128/mbio.01076-25
- Zak Mciver, Alicia Moraleda-Montoya, Zongjia Chen, Ruwan Epa, David Starns, Matthew Davy, Mikel Garcia-Alija, Arnaud Basle, Mario Schubert, Didier Ndeh, Beatriz Trastoy, Spencer J. Williams, Marcelo E. Guerin, Alan Cartmell, "Understanding the substrate recognition and catalytic mechanism of methyl fucosidases from glycoside hydrolase family 139", Journal Of Biological Chemistry, 11 (2025), DOI: 10.1016/j.jbc.2025.110407
- [Thesis] Johannes Schimunek, "Machine Learning for low-data drug discovery" (2025)
- Melissa V. Gammons, Elsa Franco-Echevarria, Tie-Mei Li, Trevor J. Rutherford, Miha Renko, Christopher Batters, Mariann Bienz, "Wnt signalosome assembly is governed by conformational flexibility of Axin and by the AP2 clathrin adaptor", Nature Communications, 16 (2025), DOI: 10.1038/s41467-025-59984-9
- Cécile Exertier, Lorenzo Antonelli, Vittorio Brufani, Gianni Colotti, Andrea Ilari, Annarita Fiorillo, "Expanding the molecular landscape of fragments binding to trypanothione reductase, a legitimate target for drug design against human African trypanosomiasis", Frontiers In Chemical Biology, 4 (2025), DOI: 10.3389/fchbi.2025.1605579
- Wenjie Chen, "Fragment-based drug discovery for transthyretin kinetic stabilisers using a novel capillary zone electrophoresis method", Plos One, 20 (2025), DOI: 10.1371/journal.pone.0323816
- Cintia Soledad Ramírez, Carmien Tolmie, María Gabriela Rivas, Pablo Javier Gonzalez, Daniel Horacio Murgida, Diederik J. Opperman, Carlos Dante Brondino, Felix Martin Ferroni, "Structural insights into the copper-containing nitrite reductase from Bradyrhizobium japonicum USDA110 and its role in the low nitrite reductase activity of rhizobia", Archives Of Biochemistry And Biophysics, 4 (2025), DOI: 10.1016/j.abb.2025.110467
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- [Science Highlight] Diamond Light Source, "Tearing down bacterial membranes with new antibiotics" (2025)
- K.-Y. M. Chen, J. K. Lai, L. S. P. Rudden, J. Wang, A. M. Russell, K. Conners, M. E. Rutter, B. Condon, F. Tung, L. Kodandapani, B. Chau, X. Zhao, J. Benach, K. Baker, E. J. Hembre, P. Barth, "Computational design of highly signalling-active membrane receptors through solvent-mediated allosteric networks", Nature Chemistry, 166 (2025), DOI: 10.1038/s41557-024-01719-2
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