Instruments by Science Group
Macromolecular
Soft Condensed 
Imaging and
Biological
Magnetic
Structures and
Crystallography 
Spectroscopy I04 Contact
Beamline Phone Number:
+44 (0) 1235 778679
Principal Beamline Scientist:
Ralf Flaig
Tel: +44 (0) 1235 778412
E-mail: [email protected]
Science Group Leader
Dave Hall
Email: [email protected]
Tel: +44 (0) 1235 778926
I04 Microfocus MX
Status: Operational
Beamsize: 10 µm x 5 µm - 110 µm x 100 µm
Detector: Eiger2 XE 16M
Wavelength: 0.69 - 2.07 Å
Detector: Eiger2 XE 16M
Wavelength: 0.69 - 2.07 Å
These publications are based on data gathered on beamline I04. If you are aware of any errors or publications that should be listed here, please send details to [email protected].
149 items found for 2022 [total: 2283]
Mechanistic and structural insights into the specificity and biological functions of bacterial sulfoglycosidases Acs Catalysis, Dec 2022 DOI: 10.1021/acscatal.2c05405
Journal Paper I04-Macromolecular Crystallography
Conservation and divergence of the G‐interfaces of Drosophila melanogaster septins Cytoskeleton, Dec 2022 DOI: 10.1002/cm.21740
Journal Paper I04-Macromolecular Crystallography
Characterizing the binding of glycoprotein VI with nanobody 35 reveals a novel monomeric structure of glycoprotein VI where the conformation of D1+D2 is independent of dimerization Journal Of Thrombosis And Haemostasis, Dec 2022 DOI: 10.1016/j.jtha.2022.11.002
Calmodulin variant E140G associated with long QT syndrome impairs CaMKIIδ autophosphorylation and L-type calcium channel (Cav1.2) inactivation Journal Of Biological Chemistry, 120 Dec 2022 DOI: 10.1016/j.jbc.2022.102777
Peptide transport in Bacillus subtilis – structure and specificity in the extracellular solute binding proteins OppA and DppE Microbiology, 168 Dec 2022 DOI: 10.1099/mic.0.001274
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Optimization of 1,2,4-triazole-3-thiones toward broad-spectrum metallo-β-lactamase inhibitors showing potent synergistic activity on VIM- and NDM-1-producing clinical isolates Journal Of Medicinal Chemistry, 375 Nov 2022 DOI: 10.1021/acs.jmedchem.2c01257
Journal Paper I04-Macromolecular Crystallography
Determinants of receptor tyrosine phosphatase homophilic adhesion: structural comparison of PTPRK and PTPRM extracellular domains Journal Of Biological Chemistry, 10 Nov 2022 DOI: 10.1016/j.jbc.2022.102750
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Conformational transitions of the Spindly adaptor underlie its interaction with Dynein and Dynactin Journal Of Cell Biology, 221 Nov 2022 DOI: 10.1083/jcb.202206131
An intermolecular hydrogen bonded network in the PRELID-TRIAP protein family plays a role in lipid sensing Biochimica Et Biophysica Acta (bba) - Proteins And Proteomics, 1871 Nov 2022 DOI: 10.1016/j.bbapap.2022.140867
Mapping ligand interactions of bromodomains BRD4 and ATAD2 with FragLites and PepLites - halogenated probes of druglike and peptide-like molecular interactions Journal Of Medicinal Chemistry, Nov 2022 DOI: 10.1021/acs.jmedchem.2c01357
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Exploiting ELIOT for scaffold-repurposing opportunities: TRIM33 a possible novel E3 ligase to expand the toolbox for PROTAC design International Journal Of Molecular Sciences, 23 Nov 2022 DOI: 10.3390/ijms232214218
Human 14-3-3 proteins site-selectively bind the mutational hotspot region of SARS-CoV-2 nucleoprotein modulating its phosphoregulation Journal Of Molecular Biology, 537 Nov 2022 DOI: 10.1016/j.jmb.2022.167891
Journal Paper I04-Macromolecular Crystallography
Probing sequence plasticity of Ung inhibitors via synthetic and structural biology Nov 2022
Thesis I04-Macromolecular Crystallography
Structure and functional mapping of the KRAB‐KAP1 repressor complex The Embo Journal, 55 Nov 2022 DOI: 10.15252/embj.2022111179
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
Fragment-based computational design of antibodies targeting structured epitopes Science Advances, 8 Nov 2022 DOI: 10.1126/sciadv.abp9540
Crystal structure of the Rho-associated coiled-coil kinase 2 inhibitor belumosudil bound to CK2α Acta Crystallographica Section F Structural Biology Communications, 78 Oct 2022 DOI: 10.1107/S2053230X22008767
Dimerization of the C-type lectin-like receptor CD93 promotes its binding to Multimerin-2 in endothelial cells International Journal Of Biological Macromolecules, 9 Oct 2022 DOI: 10.1016/j.ijbiomac.2022.10.136
Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization Nature Communications, 13 Oct 2022 DOI: 10.1038/s41467-022-34137-4
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I23-Long wavelength MX open access
Exploring chemical space in covalent and competitive glycosidase inhibitor design Oct 2022
Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Structural basis for host recognition and superinfection exclusion by bacteriophage T5 Proceedings Of The National Academy Of Sciences, 119 Oct 2022 DOI: 10.1073/pnas.2211672119
Antibacterial T6SS effectors with a VRR-Nuc domain are structure-specific nucleases Elife, 11 Oct 2022 DOI: 10.7554/eLife.82437
Structural basis of activation and antagonism of receptor signaling mediated by interleukin-27 Cell Reports, 41 Oct 2022 DOI: 10.1016/j.celrep.2022.111490
Two ligand-binding sites on SARS-CoV-2 non-structural protein 1 revealed by fragment-based X-ray screening International Journal Of Molecular Sciences, 23 Oct 2022 DOI: 10.3390/ijms232012448
Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs Nature Communications, 13 Oct 2022 DOI: 10.1038/s41467-022-33736-5
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway Structure, 23 Oct 2022 DOI: 10.1016/j.str.2022.09.004
Journal Paper I04-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
Glycosidases as an analytical tool in glycomics assays Oct 2022
Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ
Phase transitions within crystals that are aperiodic by construction Physical Review B, 106 Oct 2022 DOI: 10.1103/PhysRevB.106.134109
Journal Paper I04-Macromolecular Crystallography
Crystal structure of the collagen prolyl 4-hydroxylase (C-P4H) catalytic domain complexed with PDI: towards a model of the C-P4H α2β2 tetramer Journal Of Biological Chemistry, 22 Oct 2022 DOI: 10.1016/j.jbc.2022.102614
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ open access
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
Bacterial divisome protein FtsA forms curved antiparallel double filaments when binding to FtsN Nature Microbiology, 10 Sept 2022 DOI: 10.1038/s41564-022-01206-9
Structurally informed mutagenesis of a stereochemically promiscuous aldolase produces mutants that catalyze the diastereoselective syntheses of all four stereoisomers of 3-deoxy-hexulosonic acid Acs Catalysis, Sept 2022 DOI: 10.1021/acscatal.2c03285
A structural and biophysical dissection of bacterial sulfoquinovose catabolism Sept 2022
Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Structure of the malaria vaccine candidate Pfs48/45 and its recognition by transmission blocking antibodies Nature Communications, 13 Sept 2022 DOI: 10.1038/s41467-022-33379-6
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-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
Optimization of N-piperidinyl-benzimidazolone derivatives as potent and selective inhibitors of 8-oxo guanine DNA glycosylase 1 Chemmedchem, Sept 2022 DOI: 10.1002/cmdc.202200310
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Plant N-glycan breakdown by human gut Bacteroides Proceedings Of The National Academy Of Sciences, 119 Sept 2022 DOI: 10.1073/pnas.2208168119
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
How a 10-epi-cubebol synthase avoids premature reaction quenching to form a tricyclic product at high purity Acs Catalysis, 148 Sept 2022 DOI: 10.1021/acscatal.2c03155
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen Nature Communications, 13 Sept 2022 DOI: 10.1038/s41467-022-32811-1
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The primary familial brain calcification-associated protein MYORG is an α-galactosidase with restricted substrate specificity Plos Biology, 20 Sept 2022 DOI: 10.1371/journal.pbio.3001764
Fluorescent proteins: crystallization, structural determination, and nonnatural amino acid incorporation Sept 2022 DOI: 10.1007/978-1-0716-2667-2_5
Book Chapter I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Crystal structure of the second extracellular domain of human tetraspanin CD9: twinning and diffuse scattering Iucrdata, 7 Sept 2022 DOI: 10.1107/S2414314622008525
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
Virtual screening in the cloud identifies potent and selective ROS1 kinase inhibitors Journal Of Chemical Information And Modeling, Aug 2022 DOI: 10.1021/acs.jcim.2c00644
Journal Paper I04-Macromolecular Crystallography
Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo Proceedings Of The National Academy Of Sciences, 119 Aug 2022 DOI: 10.1073/pnas.2203167119
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-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
Structural characterization of human heat shock protein 90 N-terminal domain and its variants K112R and K112A in complex with a potent 1,2,3-triazole-based inhibitor International Journal Of Molecular Sciences, 23 Aug 2022 DOI: 10.3390/ijms23169458
Elucidating the path to Plasmodium prolyl-tRNA synthetase inhibitors that overcome halofuginone resistance Nature Communications, 13 Aug 2022 DOI: 10.1038/s41467-022-32630-4
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
Discovery of a selective c-MET inhibitor with a novel binding mode Bioorganic & Medicinal Chemistry Letters, 12 Aug 2022 DOI: 10.1016/j.bmcl.2022.128948
Crystal structures of the Clostridium botulinum neurotoxin A6 cell binding domain alone and in complex with GD1a reveal significant conformational flexibility International Journal Of Molecular Sciences, 23 Aug 2022 DOI: 10.3390/ijms23179620
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
Directed evolution of an efficient and thermostable PET depolymerase Nature Catalysis, 3 Aug 2022 DOI: 10.1038/s41929-022-00821-3
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
1,6-epi-cyclophellitol cyclosulfamidate is a bona fide lysosomal α-glucosidase stabilizer for the treatment of Pompe disease Journal Of The American Chemical Society, 144 Aug 2022 DOI: 10.1021/jacs.2c05666
Probing the role of murine neuroglobin CDloop–D-helix unit in CO ligand binding and structural dynamics Acs Chemical Biology, Jul 2022 DOI: 10.1021/acschembio.2c00172
Functional metagenomic screening identifies an unexpected β-glucuronidase Nature Chemical Biology, 48 Jul 2022 DOI: 10.1038/s41589-022-01071-x
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I23-Long wavelength MX
Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale Nature Communications, 13 Jul 2022 DOI: 10.1038/s41467-022-31428-8
Discovery of archaeal fusexins homologous to eukaryotic HAP2/GCS1 gamete fusion proteins Nature Communications, 13 Jul 2022 DOI: 10.1038/s41467-022-31564-1
Evolution of homo‐oligomerization of methionine S‐adenosyltransferases is replete with structure–function constrains Protein Science, 31 Jul 2022 DOI: 10.1002/pro.4352
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
Mechanistic insights into the rational design of masked antibodies Mabs, 14 Jul 2022 DOI: 10.1080/19420862.2022.2095701
Biochemical and structural analysis of a cytosolic sulfotransferase of the malaria vector Anopheles gambiae overexpressed in the reproductive tissues Current Research In Structural Biology, D66 Jul 2022 DOI: 10.1016/j.crstbi.2022.07.001
Hijacking of the enterobactin pathway by a synthetic catechol vector designed for oxazolidinone antibiotic delivery in Pseudomonas aeruginosa Acs Infectious Diseases, Jul 2022 DOI: 10.1021/acsinfecdis.2c00202
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides Nature Communications, 13 Jul 2022 DOI: 10.1038/s41467-022-31636-2
Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function Science, 376 June 2022 DOI: 10.1126/science.abf8980
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Primary and secondary functions of HLA-E are determined by stability and conformation of the peptide-bound complexes Cell Reports, 39 June 2022 DOI: 10.1016/j.celrep.2022.110959
Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Structural analysis and development of notum fragment screening hits Acs Chemical Neuroscience, June 2022 DOI: 10.1021/acschemneuro.2c00325
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
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
Characterization of inositol lipid metabolism in gut-associated Bacteroidetes Nature Microbiology, 123 June 2022 DOI: 10.1038/s41564-022-01152-6
Through diffusion measurements of molecules to a numerical model for protein crystallization in viscous polyethylene glycol solution Crystals, 12 June 2022 DOI: 10.3390/cryst12070881
Structural basis for the inhibition of human angiotensin‐1 converting enzyme by fosinoprilat The Febs Journal, June 2022 DOI: 10.1111/febs.16543
The C‐terminal head domain of Burkholderia pseudomallei BpaC has a striking hydrophilic core with an extensive solvent network Molecular Microbiology, June 2022 DOI: 10.1111/mmi.14953
Insights to the structural basis for the stereospecificity of the Escherichia coli phytase, AppA International Journal Of Molecular Sciences, 23 June 2022 DOI: 10.3390/ijms23116346
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
Scaffolding protein GspB/OutB facilitates assembly of the Dickeya dadantii type 2 secretion system by anchoring the outer membrane secretin pore to the inner membrane and to the peptidoglycan cell wall Mbio, May 2022 DOI: 10.1128/mbio.00253-22
Discovery of AZD4625, a covalent allosteric inhibitor of the mutant GTPase KRASG12C Journal Of Medicinal Chemistry, 65 May 2022 DOI: 10.1021/acs.jmedchem.2c00369
Journal Paper I04-Macromolecular Crystallography
Potent cross-reactive antibodies following Omicron breakthrough in vaccinees Cell, May 2022 DOI: 10.1016/j.cell.2022.05.014
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography Krios I-Titan Krios I at Diamond open access
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
Molecular basis for the initiation of DNA primer synthesis Nature, 43 May 2022 DOI: 10.1038/s41586-022-04695-0
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Filament organization of the bacterial actin MreB is dependent on the nucleotide state Journal Of Cell Biology, 221 May 2022 DOI: 10.1083/jcb.202106092
Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors Rsc Chemical Biology, 31 May 2022 DOI: 10.1039/D2CB00052K
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Staphylococcal complement evasion protein Sbi stabilises C3d dimers by inducing an N-terminal helix swap Frontiers In Immunology, 13 May 2022 DOI: 10.3389/fimmu.2022.892234
Structure, dynamics, and molecular inhibition of the Staphylococcus aureus m1A22-tRNA methyltransferase TrmK Journal Of Biological Chemistry, 46 May 2022 DOI: 10.1016/j.jbc.2022.102040
Penicillanic acid sulfones inactivate the extended-spectrum β-lactamase CTX-M-15 through formation of a serine-lysine cross-link: an alternative mechanism of β-lactamase inhibition Mbio, May 2022 DOI: 10.1128/mbio.01793-21
Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10 Nature Communications, 13 May 2022 DOI: 10.1038/s41467-022-30111-2
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Diversity of mechanisms to control bacterial GTP homeostasis by the mutually exclusive binding of adenine and guanine nucleotides to IMP dehydrogenase Protein Science, 31 May 2022 DOI: 10.1002/pro.4314
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
Ruminococcus gnavus GH98 substrate specificity to blood group A antigen contributes to mucin glycan foraging Access Microbiology, 4 May 2022 DOI: 10.1099/acmi.ac2021.po0311
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ open access
Structural features of Clostridium botulinum neurotoxin subtype A2 cell binding domain Toxins, 14 May 2022 DOI: 10.3390/toxins14050356
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
Enzymology of gladiolin and gladiostatin biosynthesis in Burkholderia gladioli May 2022
Thesis I04-Macromolecular Crystallography open access
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
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
A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant Plos Pathogens, 18 Apr 2022 DOI: 10.1371/journal.ppat.1010465
Spinning sugars in antigen biosynthesis: characterization of the Coxiella burnetii and Streptomyces griseus TDP-sugar epimerases Journal Of Biological Chemistry, 11 Apr 2022 DOI: 10.1016/j.jbc.2022.101903
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The FUSION protein crystallization screen Journal Of Applied Crystallography, 55 Apr 2022 DOI: 10.1107/S1600576722001765
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
Understanding p300-transcription factor interactions using sequence variation and hybridization Rsc Chemical Biology, 105 Apr 2022 DOI: 10.1039/D2CB00026A
Crystal structure of the ternary complex of Leishmania major pteridine reductase 1 with the cofactor NADP+/NADPH and the substrate folic acid Acta Crystallographica Section F Structural Biology Communications, 78 Apr 2022 DOI: 10.1107/S2053230X22002795
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
Genetic validation of Aspergillus fumigatus phosphoglucomutase as a viable therapeutic target in invasive aspergillosis Journal Of Biological Chemistry, 4 Apr 2022 DOI: 10.1016/j.jbc.2022.102003
Development of small cyclic peptides targeting the CK2α/β interface Chemical Communications, 58 Apr 2022 DOI: 10.1039/D2CC00707J
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
Understanding the interaction of 14‐3‐3 proteins with hDMX and hDM2: a structural and biophysical study The Febs Journal, Mar 2022 DOI: 10.1111/febs.16433
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Asymmetric peptidoglycan editing generates cell curvature in Bdellovibrio predatory bacteria Nature Communications, 13 Mar 2022 DOI: 10.1038/s41467-022-29007-y
Key interactions in the trimolecular complex consisting of the rheumatoid arthritis-associated DRB1*04:01 molecule, the major glycosylated collagen II peptide and the T-cell receptor Annals Of The Rheumatic Diseases, 81 Mar 2022 DOI: 10.1136/annrheumdis-2021-220500
Structures of SAS-6 coiled coil hold implications for the polarity of the centriolar cartwheel Structure, 41 Mar 2022 DOI: 10.1016/j.str.2022.02.005
The distinctive roles played by the superoxide dismutases of the extremophile Acinetobacter sp. Ver3 Scientific Reports, 12 Mar 2022 DOI: 10.1038/s41598-022-08052-z
Structure and mutation of the native amine dehydrogenase MATOUAmDH2 Chembiochem, Mar 2022 DOI: 10.1002/cbic.202200136
Structural basis for the propagation of homing endonuclease-associated inteins Frontiers In Molecular Biosciences, 9 Mar 2022 DOI: 10.3389/fmolb.2022.855511
Molecular basis of specificity and deamidation of eIF4A by Burkholderia Lethal Factor 1 Communications Biology, 5 Mar 2022 DOI: 10.1038/s42003-022-03186-2
Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase European Journal Of Medicinal Chemistry, 41 Mar 2022 DOI: 10.1016/j.ejmech.2022.114270
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Contrasting modes of new world arenavirus neutralization by immunization-elicited monoclonal antibodies Mbio, Mar 2022 DOI: 10.1128/mbio.02650-21
Unraveling the mechanics of a repeat-protein nanospring: from folding of individual repeats to fluctuations of the superhelix Acs Nano, 16 Mar 2022 DOI: 10.1021/acsnano.1c09162
Crystal structures of Botulinum neurotoxin subtypes A4 and A5 cell binding domains in complex with receptor ganglioside Toxins, 14 Feb 2022 DOI: 10.3390/toxins14020129
Stabilization of the RAS:PDE6D complex is a novel strategy to inhibit RAS signaling Journal Of Medicinal Chemistry, 12 Feb 2022 DOI: 10.1021/acs.jmedchem.1c01265
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Heterotypic interactions drive antibody synergy against a malaria vaccine candidate Nature Communications, 13 Feb 2022 DOI: 10.1038/s41467-022-28601-4
Visualizing protein breathing motions associated with aromatic ring flipping Nature, 189 Feb 2022 DOI: 10.1038/s41586-022-04417-6
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants Plant Communications, Feb 2022 DOI: 10.1016/j.xplc.2022.100305
Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6 Acta Crystallographica Section D Structural Biology, 78 Feb 2022 DOI: 10.1107/S2059798321012298
Structural and biochemical characterisation of the prenylated flavin mononucleotide-dependent indole-3-carboxylic acid decarboxylase Journal Of Biological Chemistry, 632 Feb 2022 DOI: 10.1016/j.jbc.2022.101771
Poxviruses and paramyxoviruses use a conserved mechanism of STAT1 antagonism to inhibit interferon signaling Cell Host & Microbe, 296 Feb 2022 DOI: 10.1016/j.chom.2022.01.014
Mechanistic insights into the C55-P targeting lipopeptide antibiotics revealed by structure–activity studies and high-resolution crystal structures Chemical Science, 98 Feb 2022 DOI: 10.1039/D1SC07190D
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
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
An enzyme with high catalytic proficiency utilizes distal site substrate binding energy to stabilize the closed state but at the expense of substrate inhibition Acs Catalysis, Feb 2022 DOI: 10.1021/acscatal.1c05524
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress Nature Cancer, 3 Feb 2022 DOI: 10.1038/s43018-022-00331-y
Mechanism-based traps enable protease and hydrolase substrate discovery Nature, 565 Feb 2022 DOI: 10.1038/s41586-022-04414-9
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
VEGFA, B, C: implications of the C-terminal sequence variations for the interaction with neuropilins Biomolecules, 12 Feb 2022 DOI: 10.3390/biom12030372
Structure‐guided stabilization of pathogen‐derived peptide‐HLA‐E complexes using non‐natural amino acids conserves native TCR recognition European Journal Of Immunology, Feb 2022 DOI: 10.1002/eji.202149745
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The crystal structure of vaccinia virus protein E2 and perspectives on the prediction of novel viral protein folds Journal Of General Virology, 103 Jan 2022 DOI: 10.1099/jgv.0.001716
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Elucidating the 3D structure of a surface membrane antigen from Trypanosoma cruzi as a serodiagnostic biomarker of Chagas disease Vaccines, 10 Jan 2022 DOI: 10.3390/vaccines10010071
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
The human cognition-enhancing CORD7 mutation increases active zone number and synaptic release Brain, Jan 2022 DOI: 10.1093/brain/awac011
Journal Paper I04-Macromolecular Crystallography
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
A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen) European Journal Of Medicinal Chemistry, 393 Jan 2022 DOI: 10.1016/j.ejmech.2022.114105
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Secondary structure and X-ray crystallographic analysis of the glideosome-associated connector (GAC) from Toxoplasma gondii Crystals, 12 Jan 2022 DOI: 10.3390/cryst12010110
CRLF3 plays a key role in the final stage of platelet genesis and is a potential therapeutic target for thrombocythaemia Blood, Jan 2022 DOI: 10.1182/blood.2021013113
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
1,2,4-triazole-3-thione analogues with a 2-ethylbenzoic acid at position 4 as VIM-type metallo-β-lactamase inhibitors Chemmedchem, Jan 2022 DOI: 10.1002/cmdc.202100699
Structure and function of a family of tick-derived complement inhibitors targeting properdin Nature Communications, 13 Jan 2022 DOI: 10.1038/s41467-021-27920-2
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Peptides derived from vascular endothelial growth factor b show potent binding to neuropilin-1 Chembiochem, 23 Jan 2022 DOI: 10.1002/cbic.v23.1
Structural analysis of the cattle antibody repertoire Jan 2022
Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ
- Zhen Zhang, Mochen Dong, Rémi Zallot, George Michael Blackburn, Nini Wang, Chengjian Wang, Long Chen, Patrick Baumann, Zuyan Wu, Zhongfu Wang, Haiming Fan, Christian Roth, Yi Jin, Yuan He, "Mechanistic and structural insights into the specificity and biological functions of bacterial sulfoglycosidases", Acs Catalysis (2022), DOI: 10.1021/acscatal.2c05405
- Adriano De Freitas Fernandes, Diego Antonio Leonardo, Italo Augusto Cavini, Higor Vinícius Dias Rosa, Jhon Antoni Vargas, Humberto D'Muniz Pereira, Alessandro S. Nascimento, Richard Charles Garratt, "Conservation and divergence of the G‐interfaces of Drosophila melanogaster septins", Cytoskeleton (2022), DOI: 10.1002/cm.21740
- Foteini-Nafsika Damaskinaki, Natalie J. Jooss, Eleyna M. Martin, Joanne C. Clark, Mark R. Thomas, Natalie S. Poulter, Jonas Emsley, Barrie Kellam, Steve P. Watson, Alexandre Slater, "Characterizing the binding of glycoprotein VI with nanobody 35 reveals a novel monomeric structure of glycoprotein VI where the conformation of D1+D2 is independent of dimerization", Journal Of Thrombosis And Haemostasis (2022), DOI: 10.1016/j.jtha.2022.11.002
- Ohm Prakash, Nitika Gupta, Amy Milburn, Liam Mccormick, Vishvangi Deugi, Pauline Fisch, Jacob Wyles, N. Lowri Thomas, Svetlana Antonyuk, Caroline Dart, Nordine Helassa, "Calmodulin variant E140G associated with long QT syndrome impairs CaMKIIδ autophosphorylation and L-type calcium channel (Cav1.2) inactivation", Journal Of Biological Chemistry, 120 (2022), DOI: 10.1016/j.jbc.2022.102777
- Adam M. Hughes, John F. Darby, Eleanor J. Dodson, Samuel J. Wilson, Johan P. Turkenburg, Gavin H. Thomas, Anthony J. Wilkinson, "Peptide transport in Bacillus subtilis – structure and specificity in the extracellular solute binding proteins OppA and DppE", Microbiology, 168 (2022), DOI: 10.1099/mic.0.001274
- Alice Legru, Federica Verdirosa, Yen Vo-Hoang, Giusy Tassone, Filippo Vascon, Caitlyn A. Thomas, Filomena Sannio, Giuseppina Corsica, Manuela Benvenuti, Georges Feller, Rémi Coulon, Francesca Marcoccia, Savannah Rowane Devente, Ezeddine Bouajila, Catherine Piveteau, Fabrice Leroux, Rebecca Deprez-Poulain, Benoît Deprez, Patricia Licznar-Fajardo, Michael W. Crowder, Laura Cendron, Cecilia Pozzi, Stefano Mangani, Jean-Denis Docquier, Jean-François Hernandez, Laurent Gavara, "Optimization of 1,2,4-triazole-3-thiones toward broad-spectrum metallo-β-lactamase inhibitors showing potent synergistic activity on VIM- and NDM-1-producing clinical isolates", Journal Of Medicinal Chemistry, 375 (2022), DOI: 10.1021/acs.jmedchem.2c01257
- Iain Hay, Maria Shamin, Eve R. Caroe, Ahmed S. A. Mohamed, Dmitri I. Svergun, Cy M. Jeffries, Stephen C. Graham, Hayley J. Sharpe, Janet E. Deane, "Determinants of receptor tyrosine phosphatase homophilic adhesion: structural comparison of PTPRK and PTPRM extracellular domains", Journal Of Biological Chemistry, 10 (2022), DOI: 10.1016/j.jbc.2022.102750
- Ennio A. D’amico, Misbha Ud Din Ahmad, Verena Cmentowski, Mathias Girbig, Franziska Müller, Sabine Wohlgemuth, Andreas Brockmeyer, Stefano Maffini, Petra Janning, Ingrid R. Vetter, Andrew P. Carter, Anastassis Perrakis, Andrea Musacchio, "Conformational transitions of the Spindly adaptor underlie its interaction with Dynein and Dynactin", Journal Of Cell Biology, 221 (2022), DOI: 10.1083/jcb.202206131
- Xeni Miliara, Takashi Tatsuta, Akinori Eiyama, Thomas Langer, Sarah L. Rouse, Steve Matthews, "An intermolecular hydrogen bonded network in the PRELID-TRIAP protein family plays a role in lipid sensing", Biochimica Et Biophysica Acta (bba) - Proteins And Proteomics, 1871 (2022), DOI: 10.1016/j.bbapap.2022.140867
- Gemma Davison, Mathew P. Martin, Shannon Turberville, Selma Dormen, Richard Heath, Amy B. Heptinstall, Marie Lawson, Duncan C. Miller, Yi Min Ng, James N. Sanderson, Ian Hope, Daniel Wood, Céline Cano, Jane A. Endicott, Ian R. Hardcastle, Martin E. M. Noble, Michael J. Waring, "Mapping ligand interactions of bromodomains BRD4 and ATAD2 with FragLites and PepLites - halogenated probes of druglike and peptide-like molecular interactions", Journal Of Medicinal Chemistry (2022), DOI: 10.1021/acs.jmedchem.2c01357
- Tommaso Palomba, Giusy Tassone, Carmine Vacca, Matteo Bartalucci, Aurora Valeri, Cecilia Pozzi, Simon Cross, Lydia Siragusa, Jenny Desantis, "Exploiting ELIOT for scaffold-repurposing opportunities: TRIM33 a possible novel E3 ligase to expand the toolbox for PROTAC design", International Journal Of Molecular Sciences, 23 (2022), DOI: 10.3390/ijms232214218
- Kristina V. Tugaeva, Andrey A. Sysoev, Anna A. Kapitonova, Jake L. R. Smith, Phillip Zhu, Richard B. Cooley, Alfred A. Antson, Nikolai N. Sluchanko, "Human 14-3-3 proteins site-selectively bind the mutational hotspot region of SARS-CoV-2 nucleoprotein modulating its phosphoregulation", Journal Of Molecular Biology, 537 (2022), DOI: 10.1016/j.jmb.2022.167891
- [Thesis] Wael Muselmani, "Probing sequence plasticity of Ung inhibitors via synthetic and structural biology" (2022)
- Guido A. Stoll, Ninoslav Pandiloski, Christopher H. Douse, Yorgo Modis, "Structure and functional mapping of the KRAB‐KAP1 repressor complex", The Embo Journal, 55 (2022), DOI: 10.15252/embj.2022111179
- 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
- Mauricio Aguilar Rangel, Alice Bedwell, Elisa Costanzi, Ross J. Taylor, Rosaria Russo, Gonçalo J. L. Bernardes, Stefano Ricagno, Judith Frydman, Michele Vendruscolo, Pietro Sormanni, "Fragment-based computational design of antibodies targeting structured epitopes", Science Advances, 8 (2022), DOI: 10.1126/sciadv.abp9540
- Paul Brear, Marko Hyvonen, "Crystal structure of the Rho-associated coiled-coil kinase 2 inhibitor belumosudil bound to CK2α", Acta Crystallographica Section F Structural Biology Communications, 78 (2022), DOI: 10.1107/S2053230X22008767
- Stefano Barbera, Luisa Raucci, Giusy Tassone, Laura Tinti, Filippo Prischi, Annalisa Santucci, Maurizio Mongiat, Gian Marco Tosi, Federico Galvagni, Anna Dimberg, Cecilia Pozzi, Maurizio Orlandini, "Dimerization of the C-type lectin-like receptor CD93 promotes its binding to Multimerin-2 in endothelial cells", International Journal Of Biological Macromolecules, 9 (2022), DOI: 10.1016/j.ijbiomac.2022.10.136
- Volha U. Chukhutsina, James M. Baxter, Alisia Fadini, Rhodri M. Morgan, Matthew A. Pope, Karim Maghlaoui, Christian M. Orr, Armin Wagner, Jasper J. Van Thor, "Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization", Nature Communications, 13 (2022), DOI: 10.1038/s41467-022-34137-4
- [Thesis] Y. Chen, "Exploring chemical space in covalent and competitive glycosidase inhibitor design" (2022)
- Bert Van Den Berg, Augustinas Silale, Arnaud Basle, Astrid F. Brandner, Sophie L. Mader, Syma Khalid, "Structural basis for host recognition and superinfection exclusion by bacteriophage T5", Proceedings Of The National Academy Of Sciences, 119 (2022), DOI: 10.1073/pnas.2211672119
- Julia Takuno Hespanhol, Daniel Enrique Sanchez-Limache, Gianlucca Gonçalves Nicastro, Liam Mead, Edgar Enrique Llontop, Gustavo Chagas-Santos, Chuck Shaker Farah, Robson Francisco De Souza, Rodrigo Da Silva Galhardo, Andrew L. Lovering, Ethel Bayer-Santos, "Antibacterial T6SS effectors with a VRR-Nuc domain are structure-specific nucleases", Elife, 11 (2022), DOI: 10.7554/eLife.82437
- Katarzyna Składanowska, Yehudi Bloch, Jamie Strand, Kerry F. White, Jing Hua, Daniel Aldridge, Martin Welin, Derek T. Logan, Arne Soete, Romain Merceron, Casey Murphy, Mathias Provost, J. Fernando Bazan, Christopher A. Hunter, Jonathan A. Hill, Savvas N. Savvidis, "Structural basis of activation and antagonism of receptor signaling mediated by interleukin-27", Cell Reports, 41 (2022), DOI: 10.1016/j.celrep.2022.111490
- Shumeng Ma, Shymaa Damfo, Jiaqi Lou, Nikos Pinotsis, Matthew W. Bowler, Shozeb Haider, Frank Kozielski, "Two ligand-binding sites on SARS-CoV-2 non-structural protein 1 revealed by fragment-based X-ray screening", International Journal Of Molecular Sciences, 23 (2022), DOI: 10.3390/ijms232012448
- Simon R. Green, Susan H. Davis, Sebastian Damerow, Curtis A. Engelhart, Michael Mathieson, Beatriz Baragaña, David A. Robinson, Jevgenia Tamjar, Alice Dawson, Fabio K. Tamaki, Kirsteen I. Buchanan, John Post, Karen Dowers, Sharon M. Shepherd, Chimed Jansen, Fabio Zuccotto, Ian H. Gilbert, Ola Epemolu, Jennifer Riley, Laste Stojanovski, Maria Osuna-Cabello, Esther Pérez-Herrán, María José Rebollo, Laura Guijarro López, Patricia Casado Castro, Isabel Camino, Heather C. Kim, James M. Bean, Navid Nahiyaan, Kyu Y. Rhee, Qinglan Wang, Vee Y. Tan, Helena I. M. Boshoff, Paul J. Converse, Si-Yang Li, Yong S. Chang, Nader Fotouhi, Anna M. Upton, Eric L. Nuermberger, Dirk Schnappinger, Kevin D. Read, Lourdes Encinas, Robert H. Bates, Paul G. Wyatt, Laura A. T. Cleghorn, "Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs", Nature Communications, 13 (2022), DOI: 10.1038/s41467-022-33736-5
- Lorenzo Maso, Filippo Vascon, Monica Chinellato, Frédéric Goormaghtigh, Pierangelo Bellio, Enrica Campagnaro, Laurence Van Melderen, Maria Ruzzene, Els Pardon, Alessandro Angelini, Giuseppe Celenza, Jan Steyaert, Donatella Tondi, Laura Cendron, "Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway", Structure, 23 (2022), DOI: 10.1016/j.str.2022.09.004
- 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] Osmond D. Rebello, "Glycosidases as an analytical tool in glycomics assays" (2022)
- Céline Mariette, Philippe Rabiller, Laurent Guérin, Claude Ecolivet, Ilya Frantsuzov, Bo Wang, Shane M. Nichols, Philippe Bourges, Alexei Bosak, Yu-Sheng Chen, Mark D. Hollingsworth, Bertrand Toudic, "Phase transitions within crystals that are aperiodic by construction", Physical Review B, 106 (2022), DOI: 10.1103/PhysRevB.106.134109
- Abhinandan V. Murthy, Ramita Sulu, Andrey Lebedev, Antti M. Salo, Kati Korhonen, Rajaram Venkatesan, Hongmin Tu, Ulrich Bergmann, Janne Jänis, Mikko Laitaoja, Lloyd Ruddock, Johanna Myllyharju, M. Kristian Koski, Rik. K. Wierenga, "Crystal structure of the collagen prolyl 4-hydroxylase (C-P4H) catalytic domain complexed with PDI: towards a model of the C-P4H α2β2 tetramer", Journal Of Biological Chemistry, 22 (2022), DOI: 10.1016/j.jbc.2022.102614
- 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
- Tim Nierhaus, Stephen H. Mclaughlin, Frank Bürmann, Danguole Kureisaite-Ciziene, Sarah L. Maslen, J. Mark Skehel, Conny W. H. Yu, Stefan M. V. Freund, Louise F. H. Funke, Jason W. Chin, Jan Lowe, "Bacterial divisome protein FtsA forms curved antiparallel double filaments when binding to FtsN", Nature Microbiology, 10 (2022), DOI: 10.1038/s41564-022-01206-9
- Sylvain F. Royer, Xuan Gao, Robin R. Groleau, Marc W. Van Der Kamp, Steven D. Bull, Michael J. Danson, Susan J. Crennell, "Structurally informed mutagenesis of a stereochemically promiscuous aldolase produces mutants that catalyze the diastereoselective syntheses of all four stereoisomers of 3-deoxy-hexulosonic acid", Acs Catalysis (2022), DOI: 10.1021/acscatal.2c03285
- [Thesis] Alexander Snow, "A structural and biophysical dissection of bacterial sulfoquinovose catabolism" (2022)
- Kuang-Ting Ko, Frank Lennartz, David Mekhaiel, Bora Guloglu, Arianna Marini, Danielle J. Deuker, Carole A. Long, Matthijs Jore, Kazutoyo Miura, Sumi Biswas, Matthew K. Higgins, "Structure of the malaria vaccine candidate Pfs48/45 and its recognition by transmission blocking antibodies", Nature Communications, 13 (2022), DOI: 10.1038/s41467-022-33379-6
- 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
- Olov Wallner, Armando Cázares-Körner, Emma R. Scaletti, Geoffrey Masuyer, Tove Bekkhus, Torkild Visnes, Kirill Mamonov, Florian Ortis, Thomas Lundbäck, Maria Volkova, Tobias Koolmeister, Elisée Wiita, Olga Loseva, Monica Pandey, Evert Homan, Carlos Benítez-Buelga, Jonathan Davies, Martin Scobie, Ulrika Warpman Berglund, Christina Kalderén, Pal Stenmark, Thomas Helleday, Maurice Michel, "Optimization of N-piperidinyl-benzimidazolone derivatives as potent and selective inhibitors of 8-oxo guanine DNA glycosylase 1", Chemmedchem (2022), DOI: 10.1002/cmdc.202200310
- Lucy I. Crouch, Paulina A. Urbanowicz, Arnaud Basle, Zhi-Peng Cai, Li Liu, Josef Voglmeir, Javier M. Melo Diaz, Samuel T. Benedict, Daniel I. R. Spencer, David N. Bolam, "Plant N-glycan breakdown by human gut Bacteroides", Proceedings Of The National Academy Of Sciences, 119 (2022), DOI: 10.1073/pnas.2208168119
- 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
- Joshua N. Whitehead, Nicole G. H. Leferink, Gajendar Komati Reddy, Colin W. Levy, Sam Hay, Eriko Takano, Nigel S. Scrutton, "How a 10-epi-cubebol synthase avoids premature reaction quenching to form a tricyclic product at high purity", Acs Catalysis, 148, 12123 - 12131 (2022), DOI: 10.1021/acscatal.2c03155
- Andrew Poole, Vijaykumar Karuppiah, Annabelle Hartt, Jaafar N. Haidar, Sylvie Moureau, Tomasz Dobrzycki, Conor Hayes, Christopher Rowley, Jorge Dias, Stephen Harper, Keir Barnbrook, Miriam Hock, Charlotte Coles, Wei Yang, Milos Aleksic, Aimee Bence Lin, Ross Robinson, Joe D. Dukes, Nathaniel Liddy, Marc Van Der Kamp, Gregory D. Plowman, Annelise Vuidepot, David K. Cole, Andrew D. Whale, Chandramouli Chillakuri, "Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen", Nature Communications, 13 (2022), DOI: 10.1038/s41467-022-32811-1
- Richard W. Meek, Jacob Brockerman, Osei B. Fordwour, Wesley F. Zandberg, Gideon J. Davies, David J. Vocadlo, "The primary familial brain calcification-associated protein MYORG is an α-galactosidase with restricted substrate specificity", Plos Biology, 20 (2022), DOI: 10.1371/journal.pbio.3001764
- [Book Chapter] Rochelle D. Ahmed, Husam Sabah Auhim, Harley L. Worthy, D. Dafydd Jones, "Fluorescent proteins: crystallization, structural determination, and nonnatural amino acid incorporation" (2022), DOI: 10.1007/978-1-0716-2667-2_5
- Viviana Neviani, Martin Lutz, Wout Oosterheert, Piet Gros, Louise Kroon-Batenburg, "Crystal structure of the second extracellular domain of human tetraspanin CD9: twinning and diffuse scattering", Iucrdata, 7 (2022), DOI: 10.1107/S2414314622008525
- 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
- Dušan Petrović, James S. Scott, Michael S. Bodnarchuk, Olivier Lorthioir, Scott Boyd, George M. Hughes, Jordan Lane, Allan Wu, David Hargreaves, James Robinson, Jens Sadowski, "Virtual screening in the cloud identifies potent and selective ROS1 kinase inhibitors", Journal Of Chemical Information And Modeling (2022), DOI: 10.1021/acs.jcim.2c00644
- Casper De Boer, Zachary Armstrong, Vincent A. J. Lit, Uri Barash, Gijs Ruijgrok, Ilanit Boyango, Merle M. Weitzenberg, Sybrin P. Schröder, Alexi J. C. Sarris, Nico J. Meeuwenoord, Pedro Bule, Yasmine Kayal, Neta Ilan, Jeroen D. C. Codée, Israel Vlodavsky, Herman S. Overkleeft, Gideon J. Davies, Liang Wu, "Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo", Proceedings Of The National Academy Of Sciences, 119 (2022), DOI: 10.1073/pnas.2203167119
- 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
- Giusy Tassone, Marco Mazzorana, Stefano Mangani, Elena Petricci, Elena Cini, Giuseppe Giannini, Cecilia Pozzi, Samuele Maramai, "Structural characterization of human heat shock protein 90 N-terminal domain and its variants K112R and K112A in complex with a potent 1,2,3-triazole-based inhibitor", International Journal Of Molecular Sciences, 23 (2022), DOI: 10.3390/ijms23169458
- Mark A. Tye, N. Connor Payne, Catrine Johansson, Kritika Singh, Sofia A. Santos, Lọla Fagbami, Akansha Pant, Kayla Sylvester, Madeline R. Luth, Sofia Marques, Malcolm Whitman, Maria M. Mota, Elizabeth A. Winzeler, Amanda K. Lukens, Emily R. Derbyshire, Udo Oppermann, Dyann F. Wirth, Ralph Mazitschek, "Elucidating the path to Plasmodium prolyl-tRNA synthetase inhibitors that overcome halofuginone resistance", Nature Communications, 13 (2022), DOI: 10.1038/s41467-022-32630-4
- 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
- Gavin W. Collie, Louise Barlind, Sana Bazzaz, Ulf Börjesson, Ian L. Dale, Jeremy S. Disch, Sevan Habeshian, Rachael Jetson, Puneet Khurana, Andrew Madin, Iacovos N. Michaelides, Ling Peng, Arjan Snijder, Christopher J. Stubbs, "Discovery of a selective c-MET inhibitor with a novel binding mode", Bioorganic & Medicinal Chemistry Letters, 12 (2022), DOI: 10.1016/j.bmcl.2022.128948
- Kyle S. Gregory, Anna R. Newell, Otsile O. Mojanaga, Sai Man Liu, K. Ravi Acharya, "Crystal structures of the Clostridium botulinum neurotoxin A6 cell binding domain alone and in complex with GD1a reveal significant conformational flexibility", International Journal Of Molecular Sciences, 23 (2022), DOI: 10.3390/ijms23179620
- 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
- Elizabeth L. Bell, Ross Smithson, Siobhan Kilbride, Jake Foster, Florence J. Hardy, Saranarayanan Ramachandran, Aleksander A. Tedstone, Sarah J. Haigh, Arthur A. Garforth, Philip J. R. Day, Colin Levy, Michael P. Shaver, Anthony P. Green, "Directed evolution of an efficient and thermostable PET depolymerase", Nature Catalysis, 3 (2022), DOI: 10.1038/s41929-022-00821-3
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