Instruments by Science Group
Macromolecular
Soft Condensed 
Imaging and
Biological
Magnetic
Structures and
Crystallography 
Spectroscopy I03 Contact
Beamline Phone Number:
+44 (0) 1235 778707
Acting Principal Beamline Scientist:
Dave Hall
Tel: +44 (0) 1235 778926
E-mail: [email protected]
Science Group Leader
Dave Hall
Email: [email protected]
Tel: +44 (0) 1235 778926
I03 MX
Status: Operational
Beamsize: 90 µm x 20 µm
Detector: Eiger2 XE 16M
Wavelength: 0.50 - 2.07 Å
Energy: 6 - 25 keV
Detector: Eiger2 XE 16M
Wavelength: 0.50 - 2.07 Å
Energy: 6 - 25 keV
These publications are based on data gathered on beamline I03. If you are aware of any errors or publications that should be listed here, please send details to [email protected].
133 items found for 2025 [total: 2353]
Structure and mechanism of PhdC, a prenylated-flavin maturase Proteins: Structure, Function, And Bioinformatics, Dec 2025 DOI: 10.1002/prot.70096
Nanoscale direct-to-biology optimization and structural insights into selective S. aureus TrmD inhibitors Journal Of Medicinal Chemistry, Dec 2025 DOI: 10.1021/acs.jmedchem.5c02323
Structural and functional consequences of aspartate/asparagine-β-hydroxylase variants causing Traboulsi Syndrome Journal Of Biological Chemistry, Dec 2025 DOI: 10.1016/j.jbc.2025.111008
Covalent alkynylpyridopyrimidinones targeting cysteine 775 of the epidermal growth factor receptor overcome resistance to current therapies Journal Of Medicinal Chemistry, Dec 2025 DOI: 10.1021/acs.jmedchem.5c02924
Enzymatic synthesis of key RNA therapeutic building blocks using simple phosphate donors Nature Communications, 19 Dec 2025 DOI: 10.1038/s41467-025-67366-4
Structure, function and dynamics of mCoral, a pH-responsive engineered variant of the mCherry fluorescent protein with improved hydrogen peroxide tolerance International Journal Of Molecular Sciences, 27 Dec 2025 DOI: 10.3390/ijms27010154
Journal Paper I03-Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ open access
Overcoming ligand discovery challenges: developing peptide-based tracers for SPSB2 Acs Chemical Biology, Dec 2025 DOI: 10.1021/acschembio.5c00702
KHNYN is a manganese-dependent endoribonuclease required for ZAP-mediated antiviral restriction Nucleic Acids Research, 53 Dec 2025 DOI: 10.1093/nar/gkaf1360
Short-circuiting the SAM-cycle in Escherichia coli Journal Of The American Chemical Society, Dec 2025 DOI: 10.1021/jacs.5c17370
Journal Paper I03-Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ
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
Isoform-specific regulation of PKM by acetylation Proceedings Of The National Academy Of Sciences, 122 Dec 2025 DOI: 10.1073/pnas.2527086122
Journal Paper I03-Macromolecular Crystallography
Temperature-dependent structural dynamics of SOD1 revealed by serial synchrotron crystallography Abant Medical Journal, 14 Dec 2025 DOI: 10.47493/abantmedj.1817591
Fluorescent binding assay for allosteric ligands of liver pyruvate kinase European Journal Of Medicinal Chemistry, 298 Nov 2025 DOI: 10.1016/j.ejmech.2025.117989
High-affinity peptide-drug conjugate ligands for the TRIM24 PHD and bromodomain Chemistry - A European Journal, Nov 2025 DOI: 10.1002/chem.202503011
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 a bifunctional PKMYT1-targeting PROTAC empowered by AI-generation Nature Communications, 16 Nov 2025 DOI: 10.1038/s41467-025-65796-8
Structural mechanisms of allosteric regulation in the human cis-prenyltransferase complex Nature Communications, 16 Nov 2025 DOI: 10.1038/s41467-025-65833-6
Proposal of metagenomic-origin LRA-5 as a precursor of active β-lactamases through Tyr69Gln and Val166Glu amino acid substitutions: a functional and structural analysis Antimicrobial Agents And Chemotherapy, Nov 2025 DOI: 10.1128/aac.00675-25
De novo design and evolution of an artificial metathase for cytoplasmic olefin metathesis Nature Catalysis, 8 Nov 2025 DOI: 10.1038/s41929-025-01436-0
Potent preorganized pyrazolidine cyclophilin D inhibitors prevent mitochondrial and organ injury in a mouse pancreatitis disease model Journal Of Medical Chemistry, Nov 2025 DOI: 10.1021/acs.jmedchem.5c01146
Discovery and optimization of a non-nucleoside-based series of inhibitors of 2′-deoxynucleoside 5′-monophosphate glycosidase (DNPH1) Journal Of Medical Chemistry, Nov 2025 DOI: 10.1021/acs.jmedchem.5c02356
Tetrazole-containing naphthalene bis-sulfonamide Keap1-Nrf2 interaction inhibitors with unexpected binding modes Redox Biology, Nov 2025 DOI: 10.1016/j.redox.2025.103924
Buttressing ligand‐binding pockets in de novo designed NTF2 ‐like domains Protein Science, 34 Nov 2025 DOI: 10.1002/pro.70323
An asymmetric hydrogen atom transferase with an abiological thiophenol cofactor 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
Design of bicyclic peptide tandems mimicking the homodimeric GDF15 protein to inhibit GDF15-GFRaL-RET complex cell signaling Journal Of Medicinal Chemistry, 647 Oct 2025 DOI: 10.1021/acs.jmedchem.5c01378
Yersinia ruckeri YRB periplasmic binding protein YiuA selectively recognizes a Fe(iii)-mono-catecholate siderophore Chemical Communications, 3 Oct 2025 DOI: 10.1039/D5CC05103G
Chromophore charge-state switching through copper-dependent homodimerisation of an engineered green fluorescent protein Chemical Science, Oct 2025 DOI: 10.1039/D5SC06589E
Folding-mediated secretion of pure bispecific antibodies Nature Biotechnology, 185 Oct 2025 DOI: 10.1038/s41587-025-02842-2
Journal Paper I03-Macromolecular Crystallography
Advances of 3D microcrystals electron diffraction for transmembrane protein structure determination Biophysical Journal, Oct 2025 DOI: 10.1016/j.bpj.2025.10.027
Biocatalytic synthesis of phenyl benzoate esters using the amide ligase ClxA Rsc Chemical Biology, Oct 2025 DOI: 10.1039/D5CB00205B
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)
Signal-strapping as a protein-sequence search method for the discovery of metalloproteins Nature Communications, 16 Oct 2025 DOI: 10.1038/s41467-025-64309-x
Nucleobase catalysts for the enzymatic activation of 8-oxoguanine DNA glycosylase 1 Rsc Chemical Biology, Oct 2025 DOI: 10.1039/D4CB00323C
Probing the molecular determinants of Ty1 retrotransposon restriction specificity in yeast 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 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
Fast-feedback for unattended data collection at Diamond Light Source Oct 2025 DOI: 10.1063/4.0000946
Coxsackie B1 virus-like particle vaccine modified to exclude a highly conserved immunoreactive region from the capsid induces potent neutralizing antibodies and protects against infection in mice Journal Of Biomedical Science, 32 Sept 2025 DOI: 10.1186/s12929-025-01183-1
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
Mechanistic basis for inhibition of the extended‐spectrum β‐lactamase GES‐1 by enmetazobactam and tazobactam Febs Letters, 3 Sept 2025 DOI: 10.1002/1873-3468.70155
Strategic fluorination to achieve a potent, selective, metabolically stable, and orally bioavailable inhibitor of CSNK2 Molecules, 29 Sept 2025 DOI: 10.3390/molecules29174158
Design of 2-aminobenzothiazole derivatives targeting trypanosomatid PTR1 by a multidisciplinary fragment hybridization approach Journal Of Medicinal Chemistry, 51 Sept 2025 DOI: 10.1021/acs.jmedchem.5c01799
Itaconate utilisation by the human pathogen Pseudomonas aeruginosa requires uptake via the IctPQM TRAP transporter Biochemical Journal, 482 Sept 2025 DOI: 10.1042/BCJ20253132
Discovery of selective and orally bioavailable heterobifunctional degraders of cyclin-dependent kinase 2 Journal Of Medicinal Chemistry, 68 Sept 2025 DOI: 10.1021/acs.jmedchem.5c01160
Structure of the human non-muscle myosin 2A motor domain: insights into isoform-specific mechanochemistry Journal Of Biological Chemistry, 70 Sept 2025 DOI: 10.1016/j.jbc.2025.110691
Molecular and structural basis for nitrosoglutathione-dependent redox regulation of triosephosphate isomerase from Chlamydomonas reinhardtii Plant Science, 66 Sept 2025 DOI: 10.1016/j.plantsci.2025.112768
Molecular mechanisms of axon guidance Sept 2025
Thesis I03-Macromolecular Crystallography
Structure of bovine glycine N-acyltransferase clarifies its catalytic mechanism Biochemistry, Sept 2025 DOI: 10.1021/acs.biochem.5c00315
Structural basis for LZTR1 recognition of RAS GTPases for degradation Science, 389 Sept 2025 DOI: 10.1126/science.adv7088
Journal Paper I03-Macromolecular Crystallography
Structural basis of novel bile acid-based modulators of FXR Journal Of Molecular Biology, 157 Aug 2025 DOI: 10.1016/j.jmb.2025.169383
Potent fluorescent probe for target-engagement studies of allosteric pyruvate kinase modulators Angewandte Chemie International Edition, 3 Aug 2025 DOI: 10.1002/anie.202513969
A twist in the tale: shifting from covalent targeting of a tyrosine in JAK3 to a lysine in MK2 Rsc Medicinal Chemistry, 76 Aug 2025 DOI: 10.1039/D5MD00440C
Development of a highly active engineered PETase enzyme for polyester degradation The Febs Journal, 371 Aug 2025 DOI: 10.1111/febs.70228
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
De novo designed 3-helix bundle peptides and proteins with controlled topology and stability Chemical Science, Aug 2025 DOI: 10.1039/D5SC05576H
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Nanobodies restore stability to cancer-associated mutants of tumor suppressor protein p16INK4a Structure, 366 Aug 2025 DOI: 10.1016/j.str.2025.07.017
Potassium binding by carbonyl clusters, halophilic adaptation and catalysis of Haloferax mediterranei D-2-hydroxyacid dehydrogenase 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 Rsc Medicinal Chemistry, Aug 2025 DOI: 10.1039/D5MD00512D
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Crystallographic fragment screening of CDK2-cyclin A: FragLites map sites of protein-protein interaction Structure, 15 Aug 2025 DOI: 10.1016/j.str.2025.07.016
Barrel expansion of outer membrane protein G nanopore through β‐hairpin duplication Protein Science, 34 Jul 2025 DOI: 10.1002/pro.70203
Journal Paper I03-Macromolecular Crystallography
A CD1c lipid agnostic T cell receptor bispecific engager redirects T cells against CD1c+ cells Frontiers In Immunology, 16 Jul 2025 DOI: 10.3389/fimmu.2025.1614610
Convergent evolution of distinct D-ribulose utilisation pathways in attaching and effacing pathogens Nature Communications, 16 Jul 2025 DOI: 10.1038/s41467-025-62476-5
Crystal structure of coagulation factor XII N-terminal domains 1–5 Acta Crystallographica Section D Structural Biology, 81 Jul 2025 DOI: 10.1107/S2059798325005297
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)
Directed evolution of α-ketoisovalerate decarboxylase for improved isobutanol and 3-methyl-1-butanol production in cyanobacteria Biotechnology For Biofuels And Bioproducts, 18 Jul 2025 DOI: 10.1186/s13068-025-02687-6
Structural and functional insights of ZnT1 C-terminal domain as a regulator of zinc transport Scientific Reports, 15 Jul 2025 DOI: 10.1038/s41598-025-07351-5
Crystal structure analysis of oxygen-induced degradation occurring in rsCherry Acta Crystallographica Section F Structural Biology Communications, 81 Jul 2025 DOI: 10.1107/S2053230X25005485
Journal Paper I03-Macromolecular Crystallography
Channel matters: overcoming diffusion bottlenecks via loop engineering of LinD for enhanced isoprene production Journal Of Biotechnology, 285 Jul 2025 DOI: 10.1016/j.jbiotec.2025.07.019
Journal Paper I03-Macromolecular Crystallography
Natural product-mediated reaction hijacking mechanism validates Plasmodium aspartyl-tRNA synthetase as an antimalarial drug target Plos Pathogens, 21 Jul 2025 DOI: 10.1371/journal.ppat.1013057
Apo‐state structure of the metabotropic glutamate receptor 5 transmembrane domain obtained using a photoswitchable ligand Protein Science, 34 Jul 2025 DOI: 10.1002/pro.70104
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
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
Repurposing of compound libraries yields new inhibitors of NDM-1 metallo-β-lactamase with diverse zinc-binding moieties European Journal Of Medicinal Chemistry Reports, 6 June 2025 DOI: 10.1016/j.ejmcr.2025.100282
Structure and activity of the essential UCH family deubiquitinase DUB16 from Leishmania donovani Biochemical Journal, June 2025 DOI: 10.1042/BCJ20253107
Photosensitizer repositioning affords an enantiocomplementary enzyme for [2+2]-cycloadditions Angewandte Chemie International Edition, June 2025 DOI: 10.1002/anie.202503576
Journal Paper I03-Macromolecular Crystallography
Structural mechanisms of multimeric BTB E3 ligases and interactors June 2025
Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography
RIFINs displayed on malaria-infected erythrocytes bind KIR2DL1 and KIR2DS1 Nature, 3 June 2025 DOI: 10.1038/s41586-025-09091-y
Active site loops of membrane-anchored metallo-β-lactamases from environmental bacteria determine cephalosporinase activity Antimicrobial Agents And Chemotherapy, June 2025 DOI: 10.1128/aac.01918-24
Functional and structural characterization of PETase SM14 from marine-sponge Streptomyces sp. active on polyethylene terephthalate Acs Sustainable Chemistry & Engineering, May 2025 DOI: 10.1021/acssuschemeng.5c00737
Light-induced, lysine-targeting irreversible covalent inhibition of the human oxygen sensing hydroxylase Factor Inhibiting HIF (FIH) Journal Of The American Chemical Society, May 2025 DOI: 10.1021/jacs.5c01935
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
Development of PVTX-405 as a potent and highly selective molecular glue degrader of IKZF2 for cancer immunotherapy Nature Communications, 16 May 2025 DOI: 10.1038/s41467-025-58431-z
Cyanophenylalanine as an infrared probe for iron-sulfur cluster redox state in multicenter metalloenzymes Chembiochem, 2 May 2025 DOI: 10.1002/cbic.202500251
Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Discovery of pyrimidoindolones as novel family VIII bromodomain binders Acs Medicinal Chemistry Letters, May 2025 DOI: 10.1021/acsmedchemlett.5c00120
Journal Paper I03-Macromolecular Crystallography
Efficient and selective energy transfer photoenzymes powered by visible light Nature Chemistry, 357 May 2025 DOI: 10.1038/s41557-025-01820-0
Binding assays enable discovery of Tet(X) inhibitors that combat tetracycline destructase resistance Chemical Science, 5 May 2025 DOI: 10.1039/D5SC00964B
Filamin C dimerisation is regulated by HSPB7 Nature Communications, 16 May 2025 DOI: 10.1038/s41467-025-58889-x
Structural and functional insights into Listeria monocytogenes phage endolysin PlyP100 - a promising food safety tool Journal Of Biological Chemistry, 12 May 2025 DOI: 10.1016/j.jbc.2025.110295
Design of branched swainsonines as selective Colgi alpha-mannosidase II inhibitors May 2025
Thesis I03-Macromolecular Crystallography open access
The discovery of bridged benzoazepine amides as selective allosteric modulators of RIPK1 Acs Medicinal Chemistry Letters, 16 May 2025 DOI: 10.1021/acsmedchemlett.5c00063
Journal Paper I03-Macromolecular Crystallography
Structural basis of Fanconi anemia pathway activation by FANCM The Embo Journal, 14 May 2025 DOI: 10.1038/s44318-025-00468-3
Silaproline-bearing nirmatrelvir derivatives are potent inhibitors of the SARS-CoV-2 main protease highlighting the value of silicon-derivatives in structure-activity-relationship studies European Journal Of Medicinal Chemistry, 374 Apr 2025 DOI: 10.1016/j.ejmech.2025.117603
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
Observation of the assembly of the nascent mineral core at the nucleation site of human mitochondrial ferritin Journal Of The American Chemical Society, Apr 2025 DOI: 10.1021/jacs.5c01337
Understanding the endo- and exo-mechanisms involved in the enzymatic hydrolysis of levan and inulin polymers Journal Of Agricultural And Food Chemistry, Apr 2025 DOI: 10.1021/acs.jafc.5c00187
Journal Paper I03-Macromolecular Crystallography
Structure and catalytic mechanism of methylisocitrate lyase, a potential drug target against Coxiella burnetii 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
UFC1 reveals the multifactorial and plastic nature of oxyanion holes in E2 conjugating enzymes Nature Communications, 16 Apr 2025 DOI: 10.1038/s41467-025-58826-y
Conjugation to a transferrin receptor 1-binding Bicycle peptide enhances ASO and siRNA potency in skeletal and cardiac muscles Nucleic Acids Research, 53 Apr 2025 DOI: 10.1093/nar/gkaf270
An engineered biocatalyst for enantioselective hydrazone reduction Angewandte Chemie International Edition, Apr 2025 DOI: 10.1002/anie.202424350
Mechanistic insights into the structure-based design of a CspZ-targeting Lyme disease vaccine Nature Communications, 16 Apr 2025 DOI: 10.1038/s41467-025-58182-x
Structural insights into the dynamics of water in SOD1 catalysis and drug interactions International Journal Of Molecular Sciences, 26 Apr 2025 DOI: 10.3390/ijms26094228
Divergent dimerization mechanisms and conserved DNA-binding function in PFam12 proteins of Borrelia burgdorferi Scientific Reports, 15 Apr 2025 DOI: 10.1038/s41598-025-93944-z
A DNA-gated molecular guard controls bacterial Hailong anti-phage defence Nature, Apr 2025 DOI: 10.1038/s41586-025-09058-z
Journal Paper I03-Macromolecular Crystallography
Derivatives of the clinically used HIF prolyl hydroxylase inhibitor desidustat are efficient inhibitors of human γ-butyrobetaine hydroxylase Journal Of Medicinal Chemistry, 28 Apr 2025 DOI: 10.1021/acs.jmedchem.5c00586
Structure-guided design of ISOX-DUAL-based degraders targeting BRD4 and CBP/EP300: A case of degrader collapse Journal Of Medicinal Chemistry, Apr 2025 DOI: 10.1021/acs.jmedchem.5c00395
LOPAC library screening identifies suramin as a TRIM21 binder with a unique binding mode revealed by crystal structure Acta Crystallographica Section F Structural Biology Communications, 81 Mar 2025 DOI: 10.1107/S2053230X25000913
Chemical targeting of prolyl-tRNA synthetase stalls ovarian development and kills malaria vectors The Journal Of Infectious Diseases, Mar 2025 DOI: 10.1093/infdis/jiaf095
Journal Paper I03-Macromolecular Crystallography
Expansion of the diversity of dispersin scaffolds Acta Crystallographica Section D Structural Biology, 81 Mar 2025 DOI: 10.1107/S205979832500110X
Discovery of TNG462: a highly potent and selective MTA-cooperative PRMT5 inhibitor to target cancers with MTAP deletion Journal Of Medicinal Chemistry, Mar 2025 DOI: 10.1021/acs.jmedchem.4c03067
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)
Pharmacological targeting of BMAL1 modulates circadian and immune pathways Nature Chemical Biology, 418 Mar 2025 DOI: 10.1038/s41589-025-01863-x
Discovery of mono-ADP ribosylating toxins with high structural homology to Pseudomonas exotoxin A Communications Biology, 8 Mar 2025 DOI: 10.1038/s42003-025-07845-y
Phylogenetic analysis and structural studies of heteromeric acetyl-CoA carboxylase from the oleaginous Amazonian microalgae Ankistrodesmus sp.: Insights into the BC and BCCP subunits Journal Of Structural Biology, 630 Mar 2025 DOI: 10.1016/j.jsb.2025.108200
Journal Paper I03-Macromolecular Crystallography
Crystal structure of ferric recombinant horseradish peroxidase Jbic Journal Of Biological Inorganic Chemistry, 2 Mar 2025 DOI: 10.1007/s00775-025-02103-2
Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Reversible small molecule multivariant ras inhibitors display tunable affinity for the active and inactive forms of Ras 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
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
Bacterial polysaccharide lyase family 33: Specificity from an evolutionarily conserved binding tunnel 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
Bespoke activity-based probes reveal that the Pseudomonas aeruginosa endoglycosidase, PslG, is an endo-β-glucanase Journal Of The American Chemical Society, Feb 2025 DOI: 10.1021/jacs.4c16806
The 2-methylcitrate cycle and the glyoxylate shunt in Pseudomonas aeruginosa are linked through enzymatic redundancy Journal Of Biological Chemistry, 6 Feb 2025 DOI: 10.1016/j.jbc.2025.108355
Sulfoglycolysis sustains Eubacterium rectale in low-fiber diets Journal Of Biological Chemistry, 473 Feb 2025 DOI: 10.1016/j.jbc.2025.108320
Virtual fragment screening for DNA repair inhibitors in vast chemical space 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 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 Nucleic Acids Research, 53 Feb 2025 DOI: 10.1093/nar/gkaf019
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)
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
Engineered enzymes for enantioselective nucleophilic aromatic substitutions Nature, Jan 2025 DOI: 10.1038/s41586-025-08611-0
Journal Paper I03-Macromolecular Crystallography
Tearing down bacterial membranes with new antibiotics Jan 2025
Science Highlight I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Phenotype-led identification of IL-10 upregulators in human CD4+ T-cells and elucidation of their pharmacology as highly selective CDK8/CDK19 inhibitors Journal Of Medicinal Chemistry, 2390 Jan 2025 DOI: 10.1021/acs.jmedchem.4c02630
Journal Paper I03-Macromolecular Crystallography
Carbonic anhydrase 2-derived drug-responsive domain regulates membrane-bound cytokine expression and function in engineered T cells Communications Biology, 8 Jan 2025 DOI: 10.1038/s42003-024-07410-z
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
Phase Ib study of PRT543, an oral protein arginine methyltransferase 5 (PRMT5) inhibitor, in patients with advanced splicing factor-mutant myeloid malignancies Leukemia, 138 Jan 2025 DOI: 10.1038/s41375-025-02515-8
Understanding the molecular mechanism of fumonisin esterases by kinetic and structural studies Food Chemistry, 50 Jan 2025 DOI: 10.1016/j.foodchem.2025.143110
Structure, kinetics, and mechanism of Pseudomonas putida sulfoquinovose dehydrogenase, the first enzyme in the sulfoglycolytic Entner-Doudoroff pathway Biochemical Journal, 482 Jan 2025 DOI: 10.1042/BCJ20240605
Structure of WzxE the lipid III flippase for Enterobacterial Common Antigen polysaccharide Open Biology, 15 Jan 2025 DOI: 10.1098/rsob.240310
Journal Paper I03-Macromolecular Crystallography I23-Long wavelength MX I24-Microfocus Macromolecular Crystallography Krios II-Titan Krios II at Diamond open access
- Dominic R. Whittall, Henry G. Box, Karl A. P. Payne, Stephen A. Marshall, David Leys, "Structure and mechanism of PhdC, a prenylated-flavin maturase", Proteins: Structure, Function, And Bioinformatics (2025), DOI: 10.1002/prot.70096
- Ariane F. Hübner, Annabelle C. Weldert, Tessa Marciniak, Florian Hof, Vivien S. Beck, Samuel Carien, Sophie N. Mulartschyk, Eva Wolf, Wilma Ziebuhr, Fabian Barthels, "Nanoscale direct-to-biology optimization and structural insights into selective S. aureus TrmD inhibitors", Journal Of Medicinal Chemistry (2025), DOI: 10.1021/acs.jmedchem.5c02323
- Cynthia X. Hou, Amelia Brasnett, Patrick Rabe, Christopher J. Schofield, Lennart Brewitz, "Structural and functional consequences of aspartate/asparagine-β-hydroxylase variants causing Traboulsi Syndrome", Journal Of Biological Chemistry (2025), DOI: 10.1016/j.jbc.2025.111008
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