Instruments by Science Group
Macromolecular
Soft Condensed 
Imaging and
Biological
Magnetic
Structures and
Crystallography 
Spectroscopy I24 Contact
Beamline Phone Number:
+44 (0) 1235 778950
Principal Beamline Scientist:
Robin Owen
Tel: +44 (0) 1235 778522
E-mail: [email protected]
Science Group Leader
Dave Hall
Email: [email protected]
Tel: +44 (0) 1235 778926
I24 Microfocus MX
Status: Operational
Beamsize: 5x5 - 50x40 (variable aspect ratio)
Detector: Pilatus3 6M
Wavelength: 0.62Å - 1.77Å
Detector: Pilatus3 6M
Wavelength: 0.62Å - 1.77Å
These publications are based on data gathered on beamline I24. If you are aware of any errors or publications that should be listed here, please send details to [email protected].
85 items found for 2022 [total: 1243]
Discovery and optimization of potent, selective, and brain-penetrant 1-heteroaryl-1H-indazole LRRK2 kinase inhibitors for the treatment of Parkinson’s disease Journal Of Medicinal Chemistry, 65 Dec 2022 DOI: 10.1021/acs.jmedchem.2c01605
Journal Paper I24-Microfocus Macromolecular Crystallography
Crystal structure of the feruloyl esterase from Lentilactobacillus buchneri reveals a novel homodimeric state Frontiers In Microbiology, 13 Dec 2022 DOI: 10.3389/fmicb.2022.1050160
Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Tractor beam acoustic levitation for time resolved crystallography experiments Dec 2022 DOI: 10.1088/1742-6596/2380/1/012112
Observation of cation chromophore photoisomerization of a fluorescent protein using millisecond synchrotron serial crystallography and infrared vibrational and visible spectroscopy The Journal Of Physical Chemistry B, Nov 2022 DOI: 10.1021/acs.jpcb.2c06780
Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship International Journal Of Biological Macromolecules, 100 Nov 2022 DOI: 10.1016/j.ijbiomac.2022.11.280
Head-to-tail polymerization by VEL proteins underpins cold-induced Polycomb silencing in flowering control Cell Reports, 41 Nov 2022 DOI: 10.1016/j.celrep.2022.111607
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
X-ray diffraction data for the C5a-peptidase mutant with modified activity and specificity Data In Brief, 19 Nov 2022 DOI: 10.1016/j.dib.2022.108778
Functional E3 ligase hotspots and resistance mechanisms to small-molecule degraders Nature Chemical Biology, 580 Nov 2022 DOI: 10.1038/s41589-022-01177-2
Journal Paper I24-Microfocus Macromolecular Crystallography
Structural insights into the contactin 1 - neurofascin 155 adhesion complex Nature Communications, 13 Nov 2022 DOI: 10.1038/s41467-022-34302-9
Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Novel macrocyclic antagonists of the CGRP receptor part 2: stereochemical inversion induces an unprecedented binding mode Acs Medicinal Chemistry Letters, 13 Nov 2022 DOI: 10.1021/acsmedchemlett.2c00400
Journal Paper I24-Microfocus Macromolecular Crystallography
A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo Nature Communications, 13 Oct 2022 DOI: 10.1038/s41467-022-33430-6
Serial femtosecond crystallography reveals the role of water in the one- or two-electron redox chemistry of compound I in the catalytic cycle of the B-type dye-decolorizing peroxidase DtpB Acs Catalysis, 26 Oct 2022 DOI: 10.1021/acscatal.2c03754
Time-resolved electron and serial X-ray crystallography of PbS quantum dots and biomolecules Oct 2022
Thesis I24-Microfocus Macromolecular Crystallography
GPC3-Unc5 receptor complex structure and role in cell migration Cell, 185 Oct 2022 DOI: 10.1016/j.cell.2022.09.025
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Recombinant production and investigation of neurotransmitter channels and transporters Oct 2022
Thesis I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Identification of inhibitors of the Schistosoma mansoni VKR2 kinase domain Acs Medicinal Chemistry Letters, 77 Oct 2022 DOI: 10.1021/acsmedchemlett.2c00248
Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature Iucrj, 9 Sept 2022 DOI: 10.1107/S2052252522006418
A fragment-based approach leading to the discovery of inhibitors of CK2α with a novel mechanism of action Rsc Medicinal Chemistry, 17 Sept 2022 DOI: 10.1039/D2MD00161F
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles Chemical Science, 53 Sept 2022 DOI: 10.1039/D2SC04479J
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structural and functional characterisation of a stable, broad-specificity multimeric sialidase from the oral pathogen Tannerella forsythia Biochemical Journal, 479 Sept 2022 DOI: 10.1042/BCJ20220244
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Novel delivery and sample mixing for synchrotron diffraction experiments using acoustic levitation with multi-transducer arrays Sept 2022
Thesis I24-Microfocus Macromolecular Crystallography
Chiral 480 nm absorption in the hemoglycin space polymer: a possible link to replication Scientific Reports, 12 Sept 2022 DOI: 10.1038/s41598-022-21043-4
The Na+,K+-ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state Journal Of Biological Chemistry, 298 Sept 2022 DOI: 10.1016/j.jbc.2022.102317
Studying macromolecules in their near-native state Sept 2022
Science Highlight I24-Microfocus Macromolecular Crystallography
Chemical toolkit for PARK7: potent, selective, and high-throughput Journal Of Medicinal Chemistry, Sept 2022 DOI: 10.1021/acs.jmedchem.2c01113
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Coiled-coil structure of meiosis protein TEX12 and conformational regulation by its C-terminal tip Communications Biology, 5 Sept 2022 DOI: 10.1038/s42003-022-03886-9
Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
X-ray screening of an electrophilic fragment library and application toward the development of a novel ERK 1/2 covalent inhibitor Journal Of Medicinal Chemistry, 65 Sept 2022 DOI: 10.1021/acs.jmedchem.2c01044
Journal Paper I24-Microfocus Macromolecular Crystallography
Divergent polo boxes in KKT2 bind KKT1 to initiate the kinetochore assembly cascade in Trypanosoma brucei Molecular Biology Of The Cell, Sept 2022 DOI: 10.1091/mbc.E22-07-0269-T
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Data collection from crystals grown in microfluidic droplets Acta Crystallographica Section D Structural Biology, 78 Aug 2022 DOI: 10.1107/S2059798322004661
Journal Paper I24-Microfocus Macromolecular Crystallography
Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics The Febs Journal, Aug 2022 DOI: 10.1111/febs.16603
Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Enzyme-catalyzed spiroacetal formation in polyketide antibiotic biosynthesis Journal Of The American Chemical Society, 144 Aug 2022 DOI: 10.1021/jacs.2c03313
Active site remodelling of a cyclodipeptide synthase redefines substrate scope Communications Chemistry, 5 Aug 2022 DOI: 10.1038/s42004-022-00715-2
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structural basis for proton coupled cystine transport by cystinosin Nature Communications, 13 Aug 2022 DOI: 10.1038/s41467-022-32589-2
Journal Paper I04-Macromolecular Crystallography I23-Long wavelength MX I24-Microfocus Macromolecular Crystallography open access
Variations on a theme: crystal forms of the amino-acid transporter MhsT Acta Crystallographica Section F Structural Biology Communications, 78 Aug 2022 DOI: 10.1107/S2053230X22007154
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors Nature Communications, 13 Aug 2022 DOI: 10.1038/s41467-022-32436-4
Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structure and diffusive dynamics of Aspartate α-decarboxylase (ADC) liganded with D-Serine in aqueous solution Physical Chemistry Chemical Physics, Aug 2022 DOI: 10.1039/D2CP02063G
Exploring the molecular mechanisms of Ag(I) transporters involved in bacterial Ag(I) resistance Aug 2022
Thesis B23-Circular Dichroism I24-Microfocus Macromolecular Crystallography Krios I-Titan Krios I at Diamond
Thromboxane A2 G protein-coupled receptor production and crystallization for structure studies Jul 2022 DOI: 10.1007/978-1-0716-2368-8
Book Chapter I24-Microfocus Macromolecular Crystallography
Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases Proceedings Of The National Academy Of Sciences, 119 Jul 2022 DOI: 10.1073/pnas.2205664119
Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae Plos Pathogens, 18 Jul 2022 DOI: 10.1371/journal.ppat.1010334
Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structure of cytosine transport protein CodB provides insight into nucleobase‐cation symporter 1 mechanism The Embo Journal, 19 Jul 2022 DOI: 10.15252/embj.2021110527
TRIM7 restricts coxsackievirus and norovirus infection by detecting the C-Terminal glutamine generated by 3C protease processing Viruses, 14 Jul 2022 DOI: 10.3390/v14081610
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
xia2.multiplex : a multi-crystal data-analysis pipeline Acta Crystallographica Section D Structural Biology, 78 June 2022 DOI: 10.1107/S2059798322004399
Insights into the mechanism of action of the arbitrium communication system in SPbeta phages Nature Communications, 13 June 2022 DOI: 10.1038/s41467-022-31144-3
Structural and functional studies of cannabidiol interactions with voltage-gated sodium channels June 2022
Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota Nature Chemical Biology, 19 June 2022 DOI: 10.1038/s41589-022-01039-x
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Mechanistic insights into the activation of the IKK kinase complex by the Kaposi’s sarcoma herpes virus oncoprotein vFLIP Journal Of Biological Chemistry, 298 June 2022 DOI: 10.1016/j.jbc.2022.102012
Crystal structure of the BREX phage defence protein BrxA Current Research In Structural Biology, 66 June 2022 DOI: 10.1016/j.crstbi.2022.06.001
Patched 1 regulates Smoothened by controlling sterol binding to its extracellular cysteine-rich domain Science Advances, 8 June 2022 DOI: 10.1126/sciadv.abm5563
CP-MAS and solution NMR studies of allosteric communication in CA-assemblies of HIV-1 Journal Of Molecular Biology, 283 June 2022 DOI: 10.1016/j.jmb.2022.167691
A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193 Structure, 369 June 2022 DOI: 10.1016/j.str.2022.05.009
Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
De novo design of discrete, stable 310-helix peptide assemblies Nature, 37 June 2022 DOI: 10.1038/s41586-022-04868-x
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Penicillin-binding protein 1 (PBP1) of Staphylococcus aureus has multiple essential functions in cell division Mbio, June 2022 DOI: 10.1128/mbio.00669-22
Structural, functional and computational studies of membrane recognition by Plasmodium Perforin-Like Proteins 1 and 2 Journal Of Molecular Biology, 3 May 2022 DOI: 10.1016/j.jmb.2022.167642
A bivalent Epstein-Barr virus vaccine induces neutralizing antibodies that block infection and confer immunity in humanized mice Science Translational Medicine, 14 May 2022 DOI: 10.1126/scitranslmed.abf3685
Journal Paper I24-Microfocus Macromolecular Crystallography
Production and crystallization of nanobodies in complex with the receptor binding domain of the SARS-COV-2 spike protein Bio-Protocol, 12 May 2022 DOI: 10.21769/BioProtoc.4406
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation Nucleic Acids Research, 76 May 2022 DOI: 10.1093/nar/gkac421
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Structural basis for the synthesis of the core 1 structure by C1GalT1 Nature Communications, 13 May 2022 DOI: 10.1038/s41467-022-29833-0
A widespread family of WYL-domain transcriptional regulators co-localizes with diverse phage defence systems and islands Nucleic Acids Research, 186 May 2022 DOI: 10.1093/nar/gkac334
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structural characterization of Mycobacterium abscessus phosphopantetheine adenylyl transferase ligand interactions: implications for fragment-based drug design Frontiers In Molecular Biosciences, 9 May 2022 DOI: 10.3389/fmolb.2022.880432
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis Proceedings Of The National Academy Of Sciences, 119 May 2022 DOI: 10.1073/pnas.2200468119
Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans Scientific Reports, 12 Apr 2022 DOI: 10.1038/s41598-022-10028-y
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structural validation and assessment of AlphaFold2 predictions for centrosomal and centriolar proteins and their complexes Communications Biology, 5 Apr 2022 DOI: 10.1038/s42003-022-03269-0
Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
FCHO controls AP2’s initiating role in endocytosis through a PtdIns(4,5)P2-dependent switch Science Advances, 8 Apr 2022 DOI: 10.1126/sciadv.abn2018
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
CPR-C4 is a highly conserved novel protease from the Candidate Phyla Radiation with remote structural homology to human vasohibins Journal Of Biological Chemistry, 172 Apr 2022 DOI: 10.1016/j.jbc.2022.101919
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects Blood Cancer Journal, 12 Apr 2022 DOI: 10.1038/s41408-022-00663-z
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Parallel optimization of potency and pharmacokinetics leading to the discovery of a pyrrole carboxamide ERK5 kinase domain inhibitor Journal Of Medicinal Chemistry, Apr 2022 DOI: 10.1021/acs.jmedchem.1c01756
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
A drug-discovery-oriented non-invasive protocol for protein crystal cryoprotection by dehydration, with application for crystallization screening Journal Of Applied Crystallography, 55 Apr 2022 DOI: 10.1107/S1600576722002382
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Mechanisms of substrate recognition and N 6-methyladenosine demethylation revealed by crystal structures of ALKBH5–RNA complexes Nucleic Acids Research, 28 Mar 2022 DOI: 10.1093/nar/gkac195
Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Novel macrocyclic antagonists of the calcitonin gene-related peptide receptor: design, realization, and structural characterization of protein–ligand complexes Acs Chemical Neuroscience, 96 Mar 2022 DOI: 10.1021/acschemneuro.1c00696
Journal Paper I24-Microfocus Macromolecular Crystallography
Interactions between 2′-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors Acta Crystallographica Section D Structural Biology, 78 Mar 2022 DOI: 10.1107/S2059798322000754
Gut commensal Bacteroidetes encode a novel class of vitamin B12-binding proteins Mbio, 57 Mar 2022 DOI: 10.1128/mbio.02845-21
Structural insights into the non-inhibitory mechanism of the anti-EGFR EgB4 nanobody Bmc Molecular And Cell Biology, 23 Mar 2022 DOI: 10.1186/s12860-022-00412-x
Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE Nature Communications, 13 Mar 2022 DOI: 10.1038/s41467-022-28722-w
Probing the requirements for dual angiotensin-converting enzyme c-domain selective/neprilysin inhibition Journal Of Medicinal Chemistry, 297 Feb 2022 DOI: 10.1021/acs.jmedchem.1c01924
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Mechanistic studies on Compound I and II formation in the dye-decolourising peroxidases from Streptomyces lividans Feb 2022
Thesis I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Development of selective phosphatidylinositol 5-phosphate 4-kinase γ inhibitors with a non-ATP-competitive, allosteric binding mode Journal Of Medicinal Chemistry, 52 Feb 2022 DOI: 10.1021/acs.jmedchem.1c01819
Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structure and assembly of the S-layer in C. difficile Nature Communications, 13 Feb 2022 DOI: 10.1038/s41467-022-28196-w
Journal Paper I04-Macromolecular Crystallography I23-Long wavelength MX I24-Microfocus Macromolecular Crystallography Krios III-Titan Krios III at Diamond open access
Discovery of N-trisubstituted pyrimidine derivatives as type I RET and RET gatekeeper mutant inhibitors with a novel kinase binding pose Journal Of Medicinal Chemistry, 65 Jan 2022 DOI: 10.1021/acs.jmedchem.1c01280
Journal Paper I24-Microfocus Macromolecular Crystallography
Structural biology-guided design, synthesis, and biological evaluation of novel insect nicotinic acetylcholine receptor orthosteric modulators Journal Of Medicinal Chemistry, Jan 2022 DOI: 10.1021/acs.jmedchem.1c01767
Discovery and characterization of a cryptic secondary binding site in the molecular chaperone HSP70 Molecules, 27 Jan 2022 DOI: 10.3390/molecules27030817
Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria Proceedings Of The National Academy Of Sciences, 119 Jan 2022 DOI: 10.1073/pnas.2116022119
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Fragment-based exploration of the 14-3-3/Amot-p130 interface Current Research In Structural Biology, 4 Jan 2022 DOI: 10.1016/j.crstbi.2021.12.003
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Development of inhibitors of SAICAR synthetase (PurC) from Mycobacterium abscessus using a fragment-based approach Acs Infectious Diseases, Jan 2022 DOI: 10.1021/acsinfecdis.1c00432
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Two states of a light-sensitive membrane protein captured at room temperature using thin-film sample mounts Acta Crystallographica Section D Structural Biology, 78 Jan 2022 DOI: 10.1107/S2059798321011220
- David A. Candito, Vladimir Simov, Anmol Gulati, Solomon Kattar, Ryan W. Chau, Blair T. Lapointe, Joey L. Methot, Duane E. Demong, Thomas H. Graham, Ravi Kurukulasuriya, Mitchell H. Keylor, Ling Tong, Gregori J. Morriello, John J. Acton, Barbara Pio, Weiguo Liu, Jack D. Scott, Michael J. Ardolino, Theodore A. Martinot, Matthew L. Maddess, Xin Yan, Hakan Gunaydin, Rachel L. Palte, Spencer E. Mcminn, Lisa Nogle, Hongshi Yu, Ellen C. Minnihan, Charles A. Lesburg, Ping Liu, Jing Su, Laxminarayan G. Hegde, Lily Y. Moy, Janice D. Woodhouse, Robert Faltus, Tina Xiong, Paul Ciaccio, Jennifer A. Piesvaux, Karin M. Otte, Matthew E. Kennedy, David J. Bennett, Erin F. Dimauro, Matthew J. Fell, Santhosh Neelamkavil, Harold B. Wood, Peter H. Fuller, J. Michael Ellis, "Discovery and optimization of potent, selective, and brain-penetrant 1-heteroaryl-1H-indazole LRRK2 kinase inhibitors for the treatment of Parkinson’s disease", Journal Of Medicinal Chemistry, 65, 16801 - 16817 (2022), DOI: 10.1021/acs.jmedchem.2c01605
- Kamyar Mogodiniyai Kasmaei, Dayanand C. Kalyani, Tom Reichenbach, Amparo Jiménez-Quero, Francisco Vilaplana, Christina Divne, "Crystal structure of the feruloyl esterase from Lentilactobacillus buchneri reveals a novel homodimeric state", Frontiers In Microbiology, 13 (2022), DOI: 10.3389/fmicb.2022.1050160
- [Conference Paper] V. Baker, F. Gueniat, D. Axford, P. Aller, N. Baker, G. Leen, P. Docker, "Tractor beam acoustic levitation for time resolved crystallography experiments" (2022), DOI: 10.1088/1742-6596/2380/1/012112
- James Baxter, Christopher D. M. Hutchison, Karim Maghlaoui, Violeta Cordon-Preciado, R. Marc L. Morgan, Pierre Aller, Agata Butryn, Danny Axford, Sam Horrell, Robin L. Owen, Selina L. S. Storm, Nicholas E. Devenish, Jasper J. Van Thor, "Observation of cation chromophore photoisomerization of a fluorescent protein using millisecond synchrotron serial crystallography and infrared vibrational and visible spectroscopy", The Journal Of Physical Chemistry B (2022), DOI: 10.1021/acs.jpcb.2c06780
- Moisés Giner-Llorca, Francisca Gallego Del Sol, Jose F. Marcos, Alberto Marina, Paloma Manzanares, "Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship", International Journal Of Biological Macromolecules, 100 (2022), DOI: 10.1016/j.ijbiomac.2022.11.280
- Marc Fiedler, Elsa Franco-Echevarria, Anna Schulten, Mathias Nielsen, Trevor J. Rutherford, Anna Yeates, Bilal Ahsan, Caroline Dean, Mariann Bienz, "Head-to-tail polymerization by VEL proteins underpins cold-induced Polycomb silencing in flowering control", Cell Reports, 41 (2022), DOI: 10.1016/j.celrep.2022.111607
- Todd F. Kagawa, Monica Jain, Jakki Cooney, "X-ray diffraction data for the C5a-peptidase mutant with modified activity and specificity", Data In Brief, 19 (2022), DOI: 10.1016/j.dib.2022.108778
- Alexander Hanzl, Ryan Casement, Hana Imrichova, Scott J. Hughes, Eleonora Barone, Andrea Testa, Sophie Bauer, Jane Wright, Matthias Brand, Alessio Ciulli, Georg E. Winter, "Functional E3 ligase hotspots and resistance mechanisms to small-molecule degraders", Nature Chemical Biology, 580 (2022), DOI: 10.1038/s41589-022-01177-2
- Lucas M. P. Chataigner, Christos Gogou, Maurits A. Den Boer, Cátia P. Frias, Dominique M. E. Thies-Weesie, Joke C. M. Granneman, Albert J. R. Heck, Dimphna H. Meijer, Bert J. C. Janssen, "Structural insights into the contactin 1 - neurofascin 155 adhesion complex", Nature Communications, 13 (2022), DOI: 10.1038/s41467-022-34302-9
- Stacey M. Southall, Joydeep Banerjee, Jason Brown, Kristina Butkovic, Andrew D. Cansfield, Julie E. Cansfield, Miles S. Congreve, Gabriella Cseke, Francesca Deflorian, Martina Petrovic Hunjadi, Antun Hutinec, Trinadh Kumar Inturi, Renata Rupcic, Gordon Saxty, Stephen P. Watson, "Novel macrocyclic antagonists of the CGRP receptor part 2: stereochemical inversion induces an unprecedented binding mode", Acs Medicinal Chemistry Letters, 13, 1776 - 1782 (2022), DOI: 10.1021/acsmedchemlett.2c00400
- Christiane Kofink, Nicole Trainor, Barbara Mair, Simon Wöhrle, Melanie Wurm, Nikolai Mischerikow, Michael J. Roy, Gerd Bader, Peter Greb, Géraldine Garavel, Emelyne Diers, Ross Mclennan, Claire Whitworth, Vesna Vetma, Klaus Rumpel, Maximilian Scharnweber, Julian E. Fuchs, Thomas Gerstberger, Yunhai Cui, Gabriela Gremel, Paolo Chetta, Stefan Hopf, Nicole Budano, Joerg Rinnenthal, Gerhard Gmaschitz, Moriz Mayer, Manfred Koegl, Alessio Ciulli, Harald Weinstabl, William Farnaby, "A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo", Nature Communications, 13 (2022), DOI: 10.1038/s41467-022-33430-6
- Marina Lucic, Matthew T. Wilson, Takehiko Tosha, Hiroshi Sugimoto, Anastasiia Shilova, Danny Axford, Robin L. Owen, Michael A. Hough, Jonathan A. R. Worrall, "Serial femtosecond crystallography reveals the role of water in the one- or two-electron redox chemistry of compound I in the catalytic cycle of the B-type dye-decolorizing peroxidase DtpB", Acs Catalysis, 26, 13349 - 13359 (2022), DOI: 10.1021/acscatal.2c03754
- [Thesis] Antoine Sarracini, "Time-resolved electron and serial X-ray crystallography of PbS quantum dots and biomolecules" (2022)
- Onno Akkermans, Céline Delloye-Bourgeois, Claudia Peregrina, Maria Carrasquero-Ordaz, Maria Kokolaki, Miguel Berbeira-Santana, Matthieu Chavent, Florie Reynaud, Ritu Raj, Jon Agirre, Metin Aksu, Eleanor S. White, Edward Lowe, Dounia Ben Amar, Sofia Zaballa, Jiandong Huo, Irene Pakos, Patrick T. N. Mccubbin, Davide Comoletti, Raymond J. Owens, Carol V. Robinson, Valérie Castellani, Daniel Del Toro, Elena Seiradake, "GPC3-Unc5 receptor complex structure and role in cell migration", Cell, 185, 3931 - 3949.e26 (2022), DOI: 10.1016/j.cell.2022.09.025
- [Thesis] Samuel Davis, "Recombinant production and investigation of neurotransmitter channels and transporters" (2022)
- Indran Mathavan, Lawrence J. Liu, Sean W. Robinson, Nelly El-Sakkary, Adam Jo J. Elatico, Darwin Gomez, Ricky Nellas, Raymond J. Owens, William Zuercher, Iva Navratilova, Conor R. Caffrey, Konstantinos Beis, "Identification of inhibitors of the Schistosoma mansoni VKR2 kinase domain", Acs Medicinal Chemistry Letters, 77 (2022), DOI: 10.1021/acsmedchemlett.2c00248
- Tadeo Moreno-Chicano, Leiah M. Carey, Danny Axford, John H. Beale, R. Bruce Doak, Helen M. E. Duyvesteyn, Ali Ebrahim, Robert W. Henning, Diana C. F. Monteiro, Dean A. Myles, Shigeki Owada, Darren A. Sherrell, Megan L. Straw, Vukica Šrajer, Hiroshi Sugimoto, Kensuke Tono, Takehiko Tosha, Ivo Tews, Martin Trebbin, Richard W. Strange, Kevin L. Weiss, Jonathan A. R. Worrall, Flora Meilleur, Robin L. Owen, Reza A. Ghiladi, Michael A. Hough, "Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature", Iucrj, 9 (2022), DOI: 10.1107/S2052252522006418
- Paul Brear, Claudia De Fusco, Eleanor L. Atkinson, Jessica Iegre, Nicola J. Francis-Newton, Ashok R. Venkitaraman, Marko Hyvonen, David R. Spring, "A fragment-based approach leading to the discovery of inhibitors of CK2α with a novel mechanism of action", Rsc Medicinal Chemistry, 17 (2022), DOI: 10.1039/D2MD00161F
- Elise A. Naudin, Katherine I. Albanese, Abigail J. Smith, Bram Mylemans, Emily G. Baker, Orion D. Weiner, David M. Andrews, Natalie Tigue, Nigel J. Savery, Derek N. Woolfson, "From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles", Chemical Science, 53 (2022), DOI: 10.1039/D2SC04479J
- Marianne J. Satur, Paulina A. Urbanowicz, Daniel I. R. Spencer, John Rafferty, Graham P. Stafford, "Structural and functional characterisation of a stable, broad-specificity multimeric sialidase from the oral pathogen Tannerella forsythia", Biochemical Journal, 479, 1785 - 1806 (2022), DOI: 10.1042/BCJ20220244
- [Thesis] Elizabeth R. Dye, "Novel delivery and sample mixing for synchrotron diffraction experiments using acoustic levitation with multi-transducer arrays" (2022)
- Julie E. M. Mcgeoch, Malcolm W. Mcgeoch, "Chiral 480 nm absorption in the hemoglycin space polymer: a possible link to replication", Scientific Reports, 12 (2022), DOI: 10.1038/s41598-022-21043-4
- Marlene U. Fruergaard, Ingrid Dach, Jacob L. Andersen, Mette Ozol, Azadeh Shahsavar, Esben M. Quistgaard, Hanne Poulsen, Natalya U. Fedosova, Poul Nissen, "The Na+,K+-ATPase in complex with beryllium fluoride mimics an ATPase phosphorylated state", Journal Of Biological Chemistry, 298 (2022), DOI: 10.1016/j.jbc.2022.102317
- [Science Highlight] Diamond Light Source, "Studying macromolecules in their near-native state" (2022)
- Yuqing Jia, Robbert Q. Kim, Raymond Kooij, Huib Ovaa, Aysegul Sapmaz, Paul P. Geurink, "Chemical toolkit for PARK7: potent, selective, and high-throughput", Journal Of Medicinal Chemistry (2022), DOI: 10.1021/acs.jmedchem.2c01113
- James M. Dunce, Lucy J. Salmon, Owen R. Davies, "Coiled-coil structure of meiosis protein TEX12 and conformational regulation by its C-terminal tip", Communications Biology, 5 (2022), DOI: 10.1038/s42003-022-03886-9
- Jeffrey D. St. Denis, Gianni Chessari, Anne Cleasby, Benjamin D. Cons, Suzanna Cowan, Samuel E. Dalton, Charlotte East, Christopher W. Murray, Marc O’reilly, Torren Peakman, Magdalini Rapti, Jessie L. Stow, "X-ray screening of an electrophilic fragment library and application toward the development of a novel ERK 1/2 covalent inhibitor", Journal Of Medicinal Chemistry, 65, 12319 - 12333 (2022), DOI: 10.1021/acs.jmedchem.2c01044
- Midori Ishii, Patryk Ludzia, Gabriele Marciano, William Allen, Olga O. Nerusheva, Bungo Akiyoshi, "Divergent polo boxes in KKT2 bind KKT1 to initiate the kinetochore assembly cascade in Trypanosoma brucei", Molecular Biology Of The Cell (2022), DOI: 10.1091/mbc.E22-07-0269-T
- Gyorgy Babnigg, Darren A. Sherrell, Youngchang Kim, Jessica L. Johnson, Boguslaw Nocek, Kemin Tan, Danny Axford, Hui Li, Lance Bigelow, Lukas Welk, Michael Endres, Robin L. Owen, Andrzej Joachimiak, "Data collection from crystals grown in microfluidic droplets", Acta Crystallographica Section D Structural Biology, 78 (2022), DOI: 10.1107/S2059798322004661
- Alberto Zavarise, Shruthi Sridhar, Tiila-Riikka Kiema, Rikkert K. Wierenga, Mikael Widersten, "Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics", The Febs Journal (2022), DOI: 10.1111/febs.16603
- Oksana Bilyk, Gabriel S. Oliveira, Rafaela M. De Angelo, Michell O. Almeida, Kathia Maria Honório, Finian J. Leeper, Marcio V. B. Dias, Peter F. Leadlay, "Enzyme-catalyzed spiroacetal formation in polyketide antibiotic biosynthesis", Journal Of The American Chemical Society, 144, 14555 - 14563 (2022), DOI: 10.1021/jacs.2c03313
- Emmajay Sutherland, Christopher J. Harding, Clarissa Melo Czekster, "Active site remodelling of a cyclodipeptide synthase redefines substrate scope", Communications Chemistry, 5 (2022), DOI: 10.1038/s42004-022-00715-2
- Mark Loebel, Sacha P. Salphati, Kamel El Omari, Armin Wagner, Stephen J. Tucker, Joanne L. Parker, Simon Newstead, "Structural basis for proton coupled cystine transport by cystinosin", Nature Communications, 13 (2022), DOI: 10.1038/s41467-022-32589-2
- Caroline Neumann, Dorota Focht, Sofia Trampari, Joseph A. Lyons, Poul Nissen, "Variations on a theme: crystal forms of the amino-acid transporter MhsT", Acta Crystallographica Section F Structural Biology Communications, 78 (2022), DOI: 10.1107/S2053230X22007154
- Raphael Reinbold, Ingvild C. Hvinden, Patrick Rabe, Ryan A. Herold, Alina Finch, James Wood, Melissa Morgan, Maximillian Staudt, Ian J. Clifton, Fraser A. Armstrong, James S. O. Mccullagh, Jo Redmond, Chiara Bardella, Martine I. Abboud, Christopher J. Schofield, "Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors", Nature Communications, 13 (2022), DOI: 10.1038/s41467-022-32436-4
- Tushar Raskar, Stephan Niebling, Juliette M. Devos, Briony A. Yorke, Michael Haertlein, Nils Huse, V. Trevor Forsyth, Tilo Seydel, Arwen R. Pearson, "Structure and diffusive dynamics of Aspartate α-decarboxylase (ADC) liganded with D-Serine in aqueous solution", Physical Chemistry Chemical Physics (2022), DOI: 10.1039/D2CP02063G
- [Thesis] Ryan Lithgo, "Exploring the molecular mechanisms of Ag(I) transporters involved in bacterial Ag(I) resistance" (2022)
- [Book Chapter] Pawel Krawinski, Martin Caffrey, "Thromboxane A2 G protein-coupled receptor production and crystallization for structure studies" (2022), DOI: 10.1007/978-1-0716-2368-8
- Samuel L. Rose, Seiki Baba, Hideo Okumura, Svetlana V. Antonyuk, Daisuke Sasaki, Tobias M. Hedison, Muralidharan Shanmugam, Derren J. Heyes, Nigel S. Scrutton, Takashi Kumasaka, Takehiko Tosha, Robert R. Eady, Masaki Yamamoto, S. Samar Hasnain, "Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases", Proceedings Of The National Academy Of Sciences, 119 (2022), DOI: 10.1073/pnas.2205664119
- Sophia David, Joshua L. C. Wong, Julia Sanchez-Garrido, Hok-Sau Kwong, Wen Wen Low, Fabio Morecchiato, Tommaso Giani, Gian Maria Rossolini, Stephen J. Brett, Abigail Clements, Konstantinos Beis, David M. Aanensen, Gad Frankel, "Widespread emergence of OmpK36 loop 3 insertions among multidrug-resistant clones of Klebsiella pneumoniae", Plos Pathogens, 18 (2022), DOI: 10.1371/journal.ppat.1010334
- Caitlin E. Hatton, Deborah H. Brotherton, Mahalah Spencer, Alexander D Cameron, "Structure of cytosine transport protein CodB provides insight into nucleobase‐cation symporter 1 mechanism", The Embo Journal, 19 (2022), DOI: 10.15252/embj.2021110527
- Jakub Luptak, Donna L. Mallery, Aminu S. Jahun, Anna Albecka, Dean Clift, Osaid Ather, Greg Slodkowicz, Ian Goodfellow, Leo C. James, "TRIM7 restricts coxsackievirus and norovirus infection by detecting the C-Terminal glutamine generated by 3C protease processing", Viruses, 14 (2022), DOI: 10.3390/v14081610
- Richard J. Gildea, James Beilsten-Edmands, Danny Axford, Sam Horrell, Pierre Aller, James Sandy, Juan Sanchez-Weatherby, C. David Owen, Petra Lukacik, Claire Strain-Damerell, Robin L. Owen, Martin A. Walsh, Graeme Winter, "xia2.multiplex : a multi-crystal data-analysis pipeline", Acta Crystallographica Section D Structural Biology, 78 (2022), DOI: 10.1107/S2059798322004399
- Francisca Gallego Del Sol, Nuria Quiles-Puchalt, Aisling Brady, José R. Penadés, Alberto Marina, "Insights into the mechanism of action of the arbitrium communication system in SPbeta phages", Nature Communications, 13 (2022), DOI: 10.1038/s41467-022-31144-3
- [Thesis] Lily Jane Goodyer Sait, "Structural and functional studies of cannabidiol interactions with voltage-gated sodium channels" (2022)
- Ana S. Luis, Arnaud Basle, Dominic P. Byrne, Gareth S. A. Wright, James A. London, Chunsheng Jin, Niclas G. Karlsson, Gunnar C. Hansson, Patrick A. Eyers, Mirjam Czjzek, Tristan Barbeyron, Edwin A. Yates, Eric C. Martens, Alan Cartmell, "Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota", Nature Chemical Biology, 19 (2022), DOI: 10.1038/s41589-022-01039-x
- Claire Bagneris, Swathi L. Senthil Kumar, Mehdi Baratchian, Hannah M. Britt, Tufa E. Assafa, Konstantinos Thalassinos, Mary K. Collins, Tracey E. Barrett, "Mechanistic insights into the activation of the IKK kinase complex by the Kaposi’s sarcoma herpes virus oncoprotein vFLIP", Journal Of Biological Chemistry, 298 (2022), DOI: 10.1016/j.jbc.2022.102012
- Izaak N. Beck, David M. Picton, Tim R. Blower, "Crystal structure of the BREX phage defence protein BrxA", Current Research In Structural Biology, 66 (2022), DOI: 10.1016/j.crstbi.2022.06.001
- Maia Kinnebrew, Rachel E. Woolley, T. Bertie Ansell, Eamon F. X. Byrne, Sara Frigui, Giovanni Luchetti, Ria Sircar, Sigrid Nachtergaele, Laurel Mydock-Mcgrane, Kathiresan Krishnan, Simon Newstead, Mark S. P. Sansom, Douglas F. Covey, Christian Siebold, Rajat Rohatgi, "Patched 1 regulates Smoothened by controlling sterol binding to its extracellular cysteine-rich domain", Science Advances, 8 (2022), DOI: 10.1126/sciadv.abm5563
- Giuseppe Nicastro, Massimo Lucci, Alain Oregioni, Geoff Kelly, Tom A. Frenkiel, Ian A. Taylor, "CP-MAS and solution NMR studies of allosteric communication in CA-assemblies of HIV-1", Journal Of Molecular Biology, 283 (2022), DOI: 10.1016/j.jmb.2022.167691
- Elise M. Ling, Arnaud Basle, Ian G. Cowell, Bert Van Den Berg, Tim R. Blower, Caroline A. Austin, "A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193", Structure, 369 (2022), DOI: 10.1016/j.str.2022.05.009
- Prasun Kumar, Neil G. Paterson, Jonathan Clayden, Derek N. Woolfson, "De novo design of discrete, stable 310-helix peptide assemblies", Nature, 37 (2022), DOI: 10.1038/s41586-022-04868-x
- Katarzyna Wacnik, Vincenzo A. Rao, Xinyue Chen, Lucia Lafage, Manuel Pazos, Simon Booth, Waldemar Vollmer, Jamie K. Hobbs, Richard J. Lewis, Simon J. Foster, "Penicillin-binding protein 1 (PBP1) of Staphylococcus aureus has multiple essential functions in cell division", Mbio (2022), DOI: 10.1128/mbio.00669-22
- Sophie I. Williams, Xiulian Yu, Tao Ni, Robert J. C. Gilbert, Phillip J. Stansfeld, "Structural, functional and computational studies of membrane recognition by Plasmodium Perforin-Like Proteins 1 and 2", Journal Of Molecular Biology, 3 (2022), DOI: 10.1016/j.jmb.2022.167642
- Chih-Jen Wei, Wei Bu, Laura A. Nguyen, Joseph D. Batchelor, Junghyun Kim, Stefania Pittaluga, James R. Fuller, Hanh Nguyen, Te-Hui Chou, Jeffrey I. Cohen, Gary J. Nabel, "A bivalent Epstein-Barr virus vaccine induces neutralizing antibodies that block infection and confer immunity in humanized mice", Science Translational Medicine, 14 (2022), DOI: 10.1126/scitranslmed.abf3685
- Audrey Le Bas, Halina Mikolajek, Jiandong Huo, Chelsea Norman, Joshua Dormon, James Naismith, Raymond Owens, "Production and crystallization of nanobodies in complex with the receptor binding domain of the SARS-COV-2 spike protein", Bio-Protocol, 12 (2022), DOI: 10.21769/BioProtoc.4406
- Joshua C. Bufton, Kyle T. Powers, Jenn-Yeu A. Szeto, Christine Toelzer, Imre Berger, Christiane Schaffitzel, "Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation", Nucleic Acids Research, 76 (2022), DOI: 10.1093/nar/gkac421
- Andrés Manuel González-Ramírez, Ana Sofia Grosso, Zhang Yang, Ismael Compañón, Helena Coelho, Yoshiki Narimatsu, Henrik Clausen, Filipa Marcelo, Francisco Corzana, Ramon Hurtado-Guerrero, "Structural basis for the synthesis of the core 1 structure by C1GalT1", Nature Communications, 13 (2022), DOI: 10.1038/s41467-022-29833-0
- David M. Picton, Joshua D. Harling-Lee, Samuel J. Duffner, Sam C. Went, Richard D. Morgan, Jay C. D. Hinton, Tim R. Blower, "A widespread family of WYL-domain transcriptional regulators co-localizes with diverse phage defence systems and islands", Nucleic Acids Research, 186 (2022), DOI: 10.1093/nar/gkac334
- Sherine E. Thomas, William J. Mccarthy, Jamal El Bakali, Karen P. Brown, So Yeon Kim, Michal Blaszczyk, Vitor Mendes, Chris Abell, R. Andres Floto, Anthony G. Coyne, Tom L. Blundell, "Structural characterization of Mycobacterium abscessus phosphopantetheine adenylyl transferase ligand interactions: implications for fragment-based drug design", Frontiers In Molecular Biosciences, 9 (2022), DOI: 10.3389/fmolb.2022.880432
- N. Guthertz, R. Van Der Kant, R. M. Martinez, Y. Xu, C. Trinh, B. I. Iorga, F. Rousseau, J. Schymkowitz, D. J. Brockwell, S. E. Radford, "The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis", Proceedings Of The National Academy Of Sciences, 119 (2022), DOI: 10.1073/pnas.2200468119
- Rasheduzzaman Chowdhury, Martine I. Abboud, James Wiley, Anthony Tumber, Suzana Markolovic, Christopher J. Schofield, "Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans", Scientific Reports, 12 (2022), DOI: 10.1038/s41598-022-10028-y
- Mark Van Breugel, Ivan Rosa E Silva, Antonina Andreeva, "Structural validation and assessment of AlphaFold2 predictions for centrosomal and centriolar proteins and their complexes", Communications Biology, 5 (2022), DOI: 10.1038/s42003-022-03269-0
- Nathan R. Zaccai, Zuzana Kadlecova, Veronica Kane Dickson, Kseniya Korobchevskaya, Jan Kamenicky, Oleksiy Kovtun, Perunthottathu K. Umasankar, Antoni G. Wrobel, Jonathan G. G. Kaufman, Sally R. Gray, Kun Qu, Philip R. Evans, Marco Fritzsche, Filip Sroubek, Stefan Höning, John A. G. Briggs, Bernard T. Kelly, David J. Owen, Linton M. Traub, "FCHO controls AP2’s initiating role in endocytosis through a PtdIns(4,5)P2-dependent switch", Science Advances, 8 (2022), DOI: 10.1126/sciadv.abn2018
- Katy A. S. Cornish, Joanna Lange, Arnthór Aevarsson, Ehmke Pohl, "CPR-C4 is a highly conserved novel protease from the Candidate Phyla Radiation with remote structural homology to human vasohibins", Journal Of Biological Chemistry, 172 (2022), DOI: 10.1016/j.jbc.2022.101919
- Sara Canovas Nunes, Serena De Vita, Andrew Anighoro, François Autelitano, Edward Beaumont, Pamela Klingbeil, Meaghan Mcguinness, Beatrice Duvert, Chad Harris, Lu Yang, Sheela Pangeni Pokharel, Chun-Wei Chen, Monika Ermann, David A. Williams, Haiming Xu, "Validation of a small molecule inhibitor of PDE6D-RAS interaction with favorable anti-leukemic effects", Blood Cancer Journal, 12 (2022), DOI: 10.1038/s41408-022-00663-z
- Duncan C. Miller, Tristan Reuillon, Lauren Molyneux, Timothy Blackburn, Simon J. Cook, Noel Edwards, Jane A. Endicott, Bernard T. Golding, Roger J. Griffin, Ian Hardcastle, Suzannah J. Harnor, Amy Heptinstall, Pamela Lochhead, Mathew P. Martin, Nick C. Martin, Stephanie Myers, David R. Newell, Richard A. Noble, Nicole Phillips, Laurent Rigoreau, Huw Thomas, Julie A. Tucker, Lan-Zhen Wang, Michael J. Waring, Ai-Ching Wong, Stephen R. Wedge, Martin E. M. Noble, Celine Cano, "Parallel optimization of potency and pharmacokinetics leading to the discovery of a pyrrole carboxamide ERK5 kinase domain inhibitor", Journal Of Medicinal Chemistry (2022), DOI: 10.1021/acs.jmedchem.1c01756
- Dom Bellini, "A drug-discovery-oriented non-invasive protocol for protein crystal cryoprotection by dehydration, with application for crystallization screening", Journal Of Applied Crystallography, 55 (2022), DOI: 10.1107/S1600576722002382
- Simranjeet Kaur, Nok Yin Tam, Michael A. Mcdonough, Christopher J. Schofield, Wei Shen Aik, "Mechanisms of substrate recognition and N 6-methyladenosine demethylation revealed by crystal structures of ALKBH5–RNA complexes", Nucleic Acids Research, 28 (2022), DOI: 10.1093/nar/gkac195
- Andrew D. Cansfield, Mark A. Ator, Joydeep Banerjee, Michael Bestwick, Andrea Bortolato, Giles A. Brown, Jason Brown, Kristina Butkovic, Julie E. Cansfield, John A. Christopher, Miles Congreve, Gabriella Cseke, Francesca Deflorian, Benjamin Dugan, Martina Petrovic Hunjadi, Antun Hutinec, Trinadh Kumar Inturi, Goran Landek, Jonathan Mason, Alistair O’brien, Gregory R. Ott, Renata Rupcic, Gordon Saxty, Stacey M. Southall, Rahela Zadravec, Stephen P. Watson, "Novel macrocyclic antagonists of the calcitonin gene-related peptide receptor: design, realization, and structural characterization of protein–ligand complexes", Acs Chemical Neuroscience, 96 (2022), DOI: 10.1021/acschemneuro.1c00696
- Renata V. Bueno, Samuel Davis, Alice Dawson, Pauline W. Ondachi, F. Ivy Carroll, William Hunter, "Interactions between 2′-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors", Acta Crystallographica Section D Structural Biology, 78 (2022), DOI: 10.1107/S2059798322000754
- E. E. Putnam, J. Abellon-Ruiz, B. J. Killinger, J. J. Rosnow, A. G. Wexler, E. Folta-Stogniew, A. T. Wright, B. Van Den Berg, A. L. Goodman, "Gut commensal Bacteroidetes encode a novel class of vitamin B12-binding proteins", Mbio, 57 (2022), DOI: 10.1128/mbio.02845-21
- Matthieu R. Zeronian, Sofia Doulkeridou, Paul M. P. Van Bergen En Henegouwen, Bert J. C. Janssen, "Structural insights into the non-inhibitory mechanism of the anti-EGFR EgB4 nanobody", Bmc Molecular And Cell Biology, 23 (2022), DOI: 10.1186/s12860-022-00412-x
- Mikel García-Alija, Jonathan J. Du, Izaskun Ordóñez, Asier Diz-Vallenilla, Alicia Moraleda-Montoya, Nazneen Sultana, Chau G. Huynh, Chao Li, Thomas Connor Donahue, Lai-Xi Wang, Beatriz Trastoy, Eric J. Sundberg, Marcelo E. Guerin, "Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE", Nature Communications, 13 (2022), DOI: 10.1038/s41467-022-28722-w
- Lauren B. Arendse, Gyles E. Cozier, Charles J. Eyermann, Gregory S. Basarab, Sylva L. Schwager, Kelly Chibale, K. Ravi Acharya, Edward D. Sturrock, "Probing the requirements for dual angiotensin-converting enzyme c-domain selective/neprilysin inhibition", Journal Of Medicinal Chemistry, 297 (2022), DOI: 10.1021/acs.jmedchem.1c01924
- [Thesis] Marina Rožman, "Mechanistic studies on Compound I and II formation in the dye-decolourising peroxidases from Streptomyces lividans" (2022)
- Helen K. Boffey, Timothy P. C. Rooney, Henriette M. G. Willems, Simon Edwards, Christopher Green, Tina Howard, Derek Ogg, Tamara Romero, Duncan E. Scott, David Winpenny, James Duce, John Skidmore, Jonathan H. Clarke, Stephen P. Andrews, "Development of selective phosphatidylinositol 5-phosphate 4-kinase γ inhibitors with a non-ATP-competitive, allosteric binding mode", Journal Of Medicinal Chemistry, 52 (2022), DOI: 10.1021/acs.jmedchem.1c01819
- Paola Lanzoni-Mangutchi, Oishik Banerji, Jason Wilson, Anna Barwinska-Sendra, Joseph A. Kirk, Filipa Vaz, Shauna O’beirne, Arnaud Basle, Kamel El Omari, Armin Wagner, Neil F. Fairweather, Gillian R. Douce, Per A. Bullough, Robert P. Fagan, Paula Salgado, "Structure and assembly of the S-layer in C. difficile", Nature Communications, 13 (2022), DOI: 10.1038/s41467-022-28196-w
- Lingtian Zhang, Marialuisa Moccia, David C. Briggs, Jaideep B. Bharate, Naga Rajiv Lakkaniga, Phillip Knowles, Wei Yan, Phuc Tran, Anupreet Kharbanda, Xiuqi Wang, Yuet-Kin Leung, Brendan Frett, Massimo Santoro, Neil Q. Mcdonald, Francesca Carlomagno, Hong-Yu Li, "Discovery of N-trisubstituted pyrimidine derivatives as type I RET and RET gatekeeper mutant inhibitors with a novel kinase binding pose", Journal Of Medicinal Chemistry, 65, 1536 - 1551 (2022), DOI: 10.1021/acs.jmedchem.1c01280
- Mark Montgomery, Stefano Rendine, Christoph T. Zimmer, Jan Elias, Jürgen Schaetzer, Thomas Pitterna, Fides Benfatti, Marisa Skaljac, Aurélien Bigot, "Structural biology-guided design, synthesis, and biological evaluation of novel insect nicotinic acetylcholine receptor orthosteric modulators", Journal Of Medicinal Chemistry (2022), DOI: 10.1021/acs.jmedchem.1c01767
- Suzanne O'Connor, Yann-Vai Le Bihan, Isaac M. Westwood, Manjuan Liu, Oi Wei Mak, Gabriel Zazeri, Ana P. R. Povinelli, Alan M. Jones, Rob Van Montfort, Jóhannes Reynisson, Ian Collins, "Discovery and characterization of a cryptic secondary binding site in the molecular chaperone HSP70", Molecules, 27 (2022), DOI: 10.3390/molecules27030817
- Mahima Sharma, James P. Lingford, Marija Petricevic, Alexander J. D. Snow, Yunyang Zhang, Michael A. Järvå, Janice W.-Y. Mui, Nichollas E. Scott, Eleanor C. Saunders, Runyu Mao, Ruwan Epa, Bruna M. Da Silva, Douglas E. V. Pires, David B. Ascher, Malcolm J. Mcconville, Gideon J. Davies, Spencer J. Williams, Ethan D. Goddard-Borger, "Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria", Proceedings Of The National Academy Of Sciences, 119 (2022), DOI: 10.1073/pnas.2116022119
- Federica Centorrino, Blaž Andlovic, Peter Cossar, Luc Brunsveld, Christian Ottmann, "Fragment-based exploration of the 14-3-3/Amot-p130 interface", Current Research In Structural Biology, 4, 21 - 28 (2022), DOI: 10.1016/j.crstbi.2021.12.003
- Sitthivut Charoensutthivarakul, Sherine E. Thomas, Amy Curran, Karen P. Brown, Juan M. Belardinelli, Andrew J. Whitehouse, Marta Acebron-Garcia-De-Eulate, Jaspar Sangan, Subramanian G. Gramani, Mary Jackson, Vitor Mendes, R. Andres Floto, Tom L. Blundell, Anthony G. Coyne, Chris Abell, "Development of inhibitors of SAICAR synthetase (PurC) from Mycobacterium abscessus using a fragment-based approach", Acs Infectious Diseases (2022), DOI: 10.1021/acsinfecdis.1c00432
- Danny Axford, Peter J. Judge, Juan F. Bada Juarez, Tristan O. C. Kwan, James Birch, Javier Vinals, Anthony Watts, Isabel Moraes, "Two states of a light-sensitive membrane protein captured at room temperature using thin-film sample mounts", Acta Crystallographica Section D Structural Biology, 78, 52 - 58 (2022), DOI: 10.1107/S2059798321011220
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