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].
140 items found for 2023 [total: 2284]
Molecular basis for inhibition of heparanases and β-glucuronidases by siastatin B Journal Of The American Chemical Society, 16 Dec 2023 DOI: 10.1021/jacs.3c04162
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
A monomeric StayGold fluorescent protein Nature Biotechnology, 40 Dec 2023 DOI: 10.1038/s41587-023-02018-w
Crystal structures of human immune protein FIBCD1 suggest an extended binding site compatible with recognition of pathogen associated carbohydrate motifs Journal Of Biological Chemistry, 183 Dec 2023 DOI: 10.1016/j.jbc.2023.105552
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Toxin release by conditional remodelling of ParDE1 from Mycobacterium tuberculosis leads to gyrase inhibition Nucleic Acids Research, 113 Dec 2023 DOI: 10.1093/nar/gkad1220
Bimodular architecture of bacterial effector SAP05 that drives ubiquitin-independent targeted protein degradation Proceedings Of The National Academy Of Sciences, 120 Dec 2023 DOI: 10.1073/pnas.2310664120
A direct interaction between CPF and RNA Pol II links RNA 3′ end processing to transcription Molecular Cell, 83 Dec 2023 DOI: 10.1016/j.molcel.2023.11.004
Journal Paper I04-Macromolecular Crystallography Krios I-Titan Krios I at Diamond Krios III-Titan Krios III at Diamond open access
Structural characterization of a novel cyclic 2,3-diphosphoglycerate synthetase involved in extremolyte production in the archaeon Methanothermus fervidus Frontiers In Microbiology, 14 Nov 2023 DOI: 10.3389/fmicb.2023.1267570
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Covalent targeting of non-cysteine residues in PI4KIIIβ Rsc Chemical Biology, 4 Nov 2023 DOI: 10.1039/D3CB00142C
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Dynamic lid domain of Chloroflexus aurantiacus Malonyl-CoA reductase controls the reaction Biochimie, 1 Nov 2023 DOI: 10.1016/j.biochi.2023.11.003
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Unveiling the catalytic mechanism of a processive metalloaminopeptidase Biochemistry, 11 Nov 2023 DOI: 10.1021/acs.biochem.3c00420
The WY domain of an RxLR effector drives interactions with a host target phosphatase to mimic host regulatory proteins and promote Phytophthora infestans infection Molecular Plant-Microbe Interactions, Nov 2023 DOI: 10.1094/MPMI-08-23-0118-FI
The 1.7 Å crystal structure of the C5a peptidase from Streptococcus agalactiae (ScpB) reveals an active site competent for catalysis Proteins: Structure, Function, And Bioinformatics, Nov 2023 DOI: 10.1002/prot.26625
A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase Chemical Science, 20 Nov 2023 DOI: 10.1039/D3SC03331G
Structure-guided design of a domain-selective bromodomain and extra terminal N-terminal bromodomain chemical probe Journal Of Medicinal Chemistry, Nov 2023 DOI: 10.1021/acs.jmedchem.3c00906
Covalent bicyclization of protein complexes yields durable quaternary structures Chem, 485 Nov 2023 DOI: 10.1016/j.chempr.2023.10.003
Discovery of a novel benzodiazepine series of Cbl-b inhibitors for the enhancement of antitumor immunity Acs Medicinal Chemistry Letters, 10 Nov 2023 DOI: 10.1021/acsmedchemlett.3c00439
Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry Nature Communications, 14 Nov 2023 DOI: 10.1038/s41467-023-42527-5
X-ray structure of the metastable SEPT14–SEPT7 coiled coil reveals a hendecad region crucial for heterodimerization Acta Crystallographica Section D Structural Biology, 79 Oct 2023 DOI: 10.1107/S2059798323006514
Mechanism of substrate hydrolysis by the human nucleotide pool sanitiser DNPH1 Nature Communications, 14 Oct 2023 DOI: 10.1038/s41467-023-42544-4
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors Nature Chemical Biology, 65 Oct 2023 DOI: 10.1038/s41589-023-01459-3
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer’s disease Journal Of Biological Chemistry, 20 Oct 2023 DOI: 10.1016/j.jbc.2023.105382
Structural insights into the inhibitory mechanism of angiotensin‐I converting enzyme by the lactotripeptides IPP and VPP Febs Letters, Oct 2023 DOI: 10.1002/1873-3468.14768
The molecular basis of drug selectivity for α5 subunit-containing GABAA receptors Nature Structural & Molecular Biology, 90 Oct 2023 DOI: 10.1038/s41594-023-01133-1
Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition Scientific Reports, 13 Oct 2023 DOI: 10.1038/s41598-023-45428-1
Enhanced activity against a third-generation cephalosporin by destabilization of the active site of a class A beta-lactamase International Journal Of Biological Macromolecules, 250 Oct 2023 DOI: 10.1016/j.ijbiomac.2023.126160
Bromodomain factor 5 as a target for antileishmanial drug discovery Acs Infectious Diseases, Oct 2023 DOI: 10.1021/acsinfecdis.3c00431
Mutate and conjugate: a method to enable rapid in-cell target validation Acs Chemical Biology, Oct 2023 DOI: 10.1021/acschembio.3c00437
Inhibitors and activity-based probes for β-D-glucuronidases, heparanases and β-L-arabinofuranosidases Oct 2023
Thesis I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Defining the molecular architecture, metal dependence, and distribution of metal-dependent class II sulfofructose-1-phosphate aldolases Journal Of Biological Chemistry, 20 Oct 2023 DOI: 10.1016/j.jbc.2023.105338
Molecular mechanism of STIL coiled-coil domain oligomerization International Journal Of Molecular Sciences, 24 Oct 2023 DOI: 10.3390/ijms241914616
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2 Nature Communications, 14 Oct 2023 DOI: 10.1038/s41467-023-41894-3
New insights into controlling radical migration pathways in heme enzymes gained from the study of a dye-decolorising peroxidase Chemical Science, Oct 2023 DOI: 10.1039/D3SC04453J
Structural insights into the complex of oncogenic KRas4B G12V and Rgl2, a RalA/B activator Life Science Alliance, 7 Oct 2023 DOI: 10.26508/lsa.202302080
A workflow for the development of template-assisted membrane crystallization downstream processing for monoclonal antibody purification Nature Protocols, 33 Sept 2023 DOI: 10.1038/s41596-023-00869-w
Journal Paper I04-Macromolecular Crystallography
Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir Nature, Sept 2023 DOI: 10.1038/s41586-023-06609-0
Journal Paper I04-Macromolecular Crystallography
Promiscuous recognition of MR1 drives self-reactive mucosal-associated invariant T cell responses Journal Of Experimental Medicine, 220 Sept 2023 DOI: 10.1084/jem.20221939
Identification of small molecule antivirals against HTLV-1 by targeting the hDLG1-Tax-1 protein-protein interaction Antiviral Research, 217 Sept 2023 DOI: 10.1016/j.antiviral.2023.105675
Journal Paper I04-Macromolecular Crystallography
Crystal structure and solution state of the C-terminal head region of the narmovirus receptor binding protein Mbio, Sept 2023 DOI: 10.1128/mbio.01391-23
Journal Paper B21-High Throughput SAXS I02-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation Journal Of Structural Biology, 215 Sept 2023 DOI: 10.1016/j.jsb.2023.108009
The structure of a Plasmodium vivax Tryptophan Rich Antigen domain suggests a lipid binding function for a pan-Plasmodium multi-gene family Nature Communications, 14 Sept 2023 DOI: 10.1038/s41467-023-40885-8
Expanding the structural diversity at the phenylene core of ligands for the von Hippel–Lindau E3 ubiquitin ligase: development of highly potent hypoxia-inducible factor-1α stabilizers Journal Of Medicinal Chemistry, Sept 2023 DOI: 10.1021/acs.jmedchem.3c00434
Activation of Csm6 ribonuclease by cyclic nucleotide binding: in an emergency, twist to open Nucleic Acids Research, 357 Sept 2023 DOI: 10.1093/nar/gkad739
Inhibition of METTL3 results in a cell-intrinsic interferon response that enhances antitumor immunity Cancer Discovery, Sept 2023 DOI: 10.1158/2159-8290.CD-23-0007
Broad sialic acid usage amongst species D human adenovirus Npj Viruses, 1 Sept 2023 DOI: 10.1038/s44298-023-00001-5
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Cysteine enrichment mediates co-option of uricase in reptilian skin and transition to uricotelism Molecular Biology And Evolution, 40 Sept 2023 DOI: 10.1093/molbev/msad200
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4+ T cell immunity Cell Reports, 42 Aug 2023 DOI: 10.1016/j.celrep.2023.112827
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
MenT nucleotidyltransferase toxins extend tRNA acceptor stems and can be inhibited by asymmetrical antitoxin binding Nature Communications, 14 Aug 2023 DOI: 10.1038/s41467-023-40264-3
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases Acta Crystallographica Section D Structural Biology, 79 Aug 2023 DOI: 10.1107/S2059798323005004
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies International Journal Of Biological Macromolecules, 197 Aug 2023 DOI: 10.1016/j.ijbiomac.2023.126066
Journal Paper I04-Macromolecular Crystallography
Human 2′-deoxynucleoside 5′-phosphate n-hydrolase 1: mechanism of 2′-deoxyuridine 5′-monophosphate hydrolysis Biochemistry, Aug 2023 DOI: 10.1021/acs.biochem.3c00369
BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B12 uptake in gut Bacteroides Nature Communications, 14 Aug 2023 DOI: 10.1038/s41467-023-40427-2
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Crystal structure of the catalytic domain of a botulinum neurotoxin homologue from Enterococcus faecium: potential insights into substrate recognition International Journal Of Molecular Sciences, 24 Aug 2023 DOI: 10.3390/ijms241612721
Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris Acta Crystallographica Section D Structural Biology, 79 Aug 2023 DOI: 10.1107/S2059798323004709
Redox driven B12-ligand switch drives CarH photoresponse Nature Communications, 14 Aug 2023 DOI: 10.1038/s41467-023-40817-6
Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius Acta Crystallographica Section D Structural Biology, 79 Aug 2023 DOI: 10.1107/S2059798323004473
Deciphering the sugar transport in plants Aug 2023
Science Highlight I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors Bioorganic & Medicinal Chemistry Letters, 91 Jul 2023 DOI: 10.1016/j.bmcl.2023.129352
Journal Paper I04-Macromolecular Crystallography
Structure-guided chemical optimization of bicyclic peptide (Bicycle) inhibitors of angiotensin-converting enzyme 2 Journal Of Medicinal Chemistry, Jul 2023 DOI: 10.1021/acs.jmedchem.3c00710
Journal Paper I04-Macromolecular Crystallography
Engineering of a reductive aminase to enable the synthesis of a key intermediate to a CDK 2/4/6 inhibitor Acs Catalysis, Jul 2023 DOI: 10.1021/acscatal.3c01534
Structural insights into selective small molecule activation of PKG1α Communications Biology, 6 Jul 2023 DOI: 10.1038/s42003-023-05095-4
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Allelic compatibility in plant immune receptors facilitates engineering of new effector recognition specificities The Plant Cell, Jul 2023 DOI: 10.1093/plcell/koad204
Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy Cell, 33 Jul 2023 DOI: 10.1016/j.cell.2023.06.020
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
A degron blocking strategy towards improved CRL4CRBN recruiting PROTAC selectivity Chembiochem, Jul 2023 DOI: 10.1002/cbic.202300351
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Molecular mechanism of ensitrelvir inhibiting SARS-CoV-2 main protease and its variants Communications Biology, 6 Jul 2023 DOI: 10.1038/s42003-023-05071-y
Discovery of AZD4747, a potent and selective inhibitor of mutant GTPase KRASG12C with demonstrable CNS penetration Journal Of Medicinal Chemistry, 66 Jul 2023 DOI: 10.1021/acs.jmedchem.3c00746
Journal Paper I04-Macromolecular Crystallography
A riboside hydrolase that salvages both nucleobases and nicotinamide in the auxotrophic parasite Trichomonas vaginalis Journal Of Biological Chemistry, 97 Jul 2023 DOI: 10.1016/j.jbc.2023.105077
Discovery of IACS-52825, a potent and selective DLK inhibitor for treatment of chemotherapy-induced peripheral neuropathy Journal Of Medicinal Chemistry, 27 Jul 2023 DOI: 10.1021/acs.jmedchem.3c00788
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi Iucrj, 10 Jul 2023 DOI: 10.1107/S2052252523003810
Journal Paper I04-Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ open access
The design of heteromeric and metal-binding alpha-helical barrels Jul 2023
Thesis I04-Macromolecular Crystallography
Molecular basis of interactions between CaMKII and α-actinin-2 that underlie dendritic spine enlargement Elife, 12 Jul 2023 DOI: 10.7554/eLife.85008
Structural and biophysical analysis of UBE3A and partner protein complexes Jul 2023
Thesis B23-Circular Dichroism I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Talos-Talos Arctica at Diamond
An anti-biofilm cyclic peptide targets a secreted aminopeptidase from P. aeruginosa Nature Chemical Biology, 60 June 2023 DOI: 10.1038/s41589-023-01373-8
A multi-enzyme machine polymerizes the Haemophilus influenzae type b capsule Nature Chemical Biology, 18 June 2023 DOI: 10.1038/s41589-023-01324-3
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2 Nature Communications, 14 June 2023 DOI: 10.1038/s41467-023-39158-1
A multimodal approach towards genomic identification of protein inhibitors of uracil-DNA glycosylase Viruses, 15 June 2023 DOI: 10.3390/v15061348
Structural basis for DARC binding in reticulocyte invasion by Plasmodium vivax Nature Communications, 14 June 2023 DOI: 10.1038/s41467-023-39357-w
Journal Paper B21-High Throughput SAXS I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes Nature, 10 June 2023 DOI: 10.1038/s41586-023-06146-w
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Serine ADP-ribosylation in Drosophila provides insights into the evolution of reversible ADP-ribosylation signalling Nature Communications, 14 June 2023 DOI: 10.1038/s41467-023-38793-y
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Asp179 in the class A β‐lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis The Febs Journal, June 2023 DOI: 10.1111/febs.16892
Interrogation of an enzyme library reveals the catalytic plasticity of naturally evolved [4+2] cyclases Chembiochem, June 2023 DOI: 10.1002/cbic.202300382
Discovery and optimization of the first ATP competitive Type-III c-MET inhibitor Journal Of Medicinal Chemistry, June 2023 DOI: 10.1021/acs.jmedchem.3c00401
Molecular insights into LINC complex architecture through the crystal structure of a luminal trimeric coiled-coil domain of SUN1 Frontiers In Cell And Developmental Biology, 11 June 2023 DOI: 10.3389/fcell.2023.1144277
Biological and structural analyses of new potent allosteric inhibitors of HIV-1 integrase Antimicrobial Agents And Chemotherapy, 11 June 2023 DOI: 10.1128/aac.00462-23
Mechanistic basis for potent neutralization of Sin Nombre hantavirus by a human monoclonal antibody Nature Microbiology, 262 June 2023 DOI: 10.1038/s41564-023-01413-y
Activator-induced conformational changes regulate division-associated peptidoglycan amidases Proceedings Of The National Academy Of Sciences, 120 June 2023 DOI: 10.1073/pnas.2302580120
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural and biophysical characterization of the secreted, β-helical adhesin EtpA of Enterotoxigenic Escherichia coli Plos One, 18 June 2023 DOI: 10.1371/journal.pone.0287100
5-Carboxy-8-hydroxyquinoline is a broad spectrum 2-oxoglutarate oxygenase inhibitor which causes iron translocation Chemical Science, 4 June 2023 DOI: 10.1039/c3sc51122g
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Structure and sucrose binding mechanism of the plant SUC1 sucrose transporter Nature Plants, 7 May 2023 DOI: 10.1038/s41477-023-01421-0
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Fragment merging strategies with known pyrimidine scaffolds targeting dihydrofolate reductase from Mycobacterium tuberculosis Chemmedchem, May 2023 DOI: 10.1002/cmdc.202300240
Structure and mutation of deoxypodophyllotoxin synthase (DPS) from Podophyllum hexandrum Frontiers In Catalysis, 3 May 2023 DOI: 10.3389/fctls.2023.1178345
The role of Asn11 in catalysis by triosephosphate isomerase Biochemistry, 332 May 2023 DOI: 10.1021/acs.biochem.3c00133
A small-molecule PI3Kα activator for cardioprotection and neuroregeneration Nature, 6 May 2023 DOI: 10.1038/s41586-023-05972-2
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Structure of the transmembrane protein 2 (TMEM2) ectodomain and its apparent lack of hyaluronidase activity Wellcome Open Research, 8 May 2023 DOI: 10.12688/wellcomeopenres.18937.2
Molecular insights into titin’s A-band Journal Of Muscle Research And Cell Motility, 90 May 2023 DOI: 10.1007/s10974-023-09649-1
Effector target-guided engineering of an integrated domain expands the disease resistance profile of a rice NLR immune receptor Elife, 12 May 2023 DOI: 10.7554/eLife.81123
Design and selection of heterodimerizing helical hairpins for synthetic biology Acs Synthetic Biology, May 2023 DOI: 10.1021/acssynbio.3c00231
Discovery of a potent and selective CDKL5/GSK3 chemical probe that is neuroprotective Acs Chemical Neuroscience, Apr 2023 DOI: 10.1021/acschemneuro.3c00135
Discovery and validation of the binding poses of allosteric fragment hits to protein tyrosine phosphatase 1b: from molecular dynamics simulations to X-ray crystallography Journal Of Chemical Information And Modeling, Apr 2023 DOI: 10.1021/acs.jcim.3c00236
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Identification of ARUK2002821 as an isoform-selective PI5P4Kα inhibitor Rsc Medicinal Chemistry, Apr 2023 DOI: 10.1039/D3MD00039G
Structures of factor XI and prekallikrein bound to domain 6 of high molecular weight kininogen reveals alternate domain 6 conformations and exosites Journal Of Thrombosis And Haemostasis, Apr 2023 DOI: 10.1016/j.jtha.2023.03.042
A heme pocket aromatic quadrupole modulates gas binding to cytochrome c′-β: implications for NO sensors Journal Of Biological Chemistry, 113 Apr 2023 DOI: 10.1016/j.jbc.2023.104742
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
A DNA damage–induced phosphorylation circuit enhances Mec1 ATR Ddc2 ATRIP recruitment to Replication Protein A Proceedings Of The National Academy Of Sciences, 120 Apr 2023 DOI: 10.1073/pnas.2300150120
Structural and regulatory insights into the glideosome-associated connector from Toxoplasma gondii Elife, 12 Apr 2023 DOI: 10.7554/eLife.86049
Structural and mechanistic investigations of the key esterification step in mupirocin and thiomarinol biosynthesis Apr 2023
Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography
ERCC6L2 mitigates replication stress and promotes centromere stability Cell Reports, 42 Apr 2023 DOI: 10.1016/j.celrep.2023.112329
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The novel DNA binding mechanism of ridinilazole, a precision Clostridiodes difficile antibiotic Antimicrobial Agents And Chemotherapy, Apr 2023 DOI: 10.1128/aac.01563-22
Nanobody inhibitors of Plexin-B1 identify allostery in plexin-semaphorin interactions and signalling Journal Of Biological Chemistry, 9 Apr 2023 DOI: 10.1016/j.jbc.2023.104740
Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs Nature Communications, 14 Apr 2023 DOI: 10.1038/s41467-023-38015-5
Rapid escape of new SARS-CoV-2 Omicron variants from BA.2 directed antibody responses Cell Reports, Mar 2023 DOI: 10.1016/j.celrep.2023.112271
Structure of the D-cycloserine-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis Acs Bio & Med Chem Au, 5 Mar 2023 DOI: 10.1021/acsbiomedchemau.2c00074
New dual inhibitors of bacterial topoisomerases with broad-spectrum antibacterial activity and in vivo efficacy against vancomycin-intermediate Staphylococcus aureus Journal Of Medicinal Chemistry, 1703 Mar 2023 DOI: 10.1021/acs.jmedchem.2c01905
Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators European Journal Of Medicinal Chemistry, 250 Mar 2023 DOI: 10.1016/j.ejmech.2023.115177
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Diversification in the inositol tris/tetrakisphosphate kinase (ITPK) family: crystal structure and enzymology of the outlier AtITPK4 Biochemical Journal, Mar 2023 DOI: 10.1042/BCJ20220579
Tautomer-specific deacylation and Ω-loop flexibility explain the carbapenem-hydrolyzing broad-spectrum activity of the KPC-2 β-lactamase Journal Of The American Chemical Society, Mar 2023 DOI: 10.1021/jacs.2c12123
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structure based discovery of inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis Chemistry – A European Journal, Mar 2023 DOI: 10.1002/chem.202203868
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
The drug-induced interface that drives HIV-1 integrase hypermultimerization and loss of function Mbio, Feb 2023 DOI: 10.1128/mbio.03560-22
Structure of the transmembrane protein 2 (TMEM2) ectodomain and its lack of hyaluronidase activity Wellcome Open Research, 8 Feb 2023 DOI: 10.12688/wellcomeopenres.18937.1
The CTP-binding domain is disengaged from the DNA-binding domain in a co-crystal structure of Bacillus subtilis Noc-DNA complex Journal Of Biological Chemistry, 13 Feb 2023 DOI: 10.1016/j.jbc.2023.103063
An unusual disulfide-linked dimerization in the fluorescent protein rsCherryRev1.4 Acta Crystallographica Section F Structural Biology Communications, 79 Feb 2023 DOI: 10.1107/S2053230X23000572
Journal Paper I04-Macromolecular Crystallography
Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis Plos Pathogens, 19 Feb 2023 DOI: 10.1371/journal.ppat.1011124
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structural and biochemical analysis of human inositol monophosphatase-1 inhibition by ebselen Journal Of Biomolecular Structure And Dynamics, 37 Feb 2023 DOI: 10.1080/07391102.2023.2176925
Journal Paper I04-Macromolecular Crystallography
An engineered variant of MECR reductase reveals indispensability of long-chain acyl-ACPs for mitochondrial respiration Nature Communications, 14 Feb 2023 DOI: 10.1038/s41467-023-36358-7
Evolution of protease activation and specificity via alpha-2-macroglobulin-mediated covalent capture Nature Communications, 14 Feb 2023 DOI: 10.1038/s41467-023-36099-7
Chemical optimization of selective Pseudomonas aeruginosa LasB elastase inhibitors and their impact on lasb-mediated activation of IL-1β in cellular and animal infection models Acs Infectious Diseases, 9 Feb 2023 DOI: 10.1021/acsinfecdis.2c00418
Discovery of a potent and orally bioavailable zwitterionic series of selective estrogen receptor degrader-antagonists Journal Of Medicinal Chemistry, 61 Feb 2023 DOI: 10.1021/acs.jmedchem.2c01964
Journal Paper I04-Macromolecular Crystallography
The ROK kinase N-acetylglucosamine kinase uses a sequential random enzyme mechanism with successive conformational changes upon each substrate binding Journal Of Biological Chemistry, 56 Feb 2023 DOI: 10.1016/j.jbc.2023.103033
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Small-molecule tools to study human cysteine enzymes SENPs and PARK7 Feb 2023
Thesis I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
[1,2,4]Triazolo[3,4-b]benzothiazole scaffold as versatile nicotinamide mimic allowing nanomolar inhibition of different PARP enzymes Journal Of Medicinal Chemistry, 40 Jan 2023 DOI: 10.1021/acs.jmedchem.2c01460
The bispecific tumor antigen-conditional 4–1BB x 5T4 agonist, ALG.APV-527, mediates strong T-cell activation and potent antitumor activity in preclinical studies Molecular Cancer Therapeutics, 22 Jan 2023 DOI: 10.1158/1535-7163.MCT-22-0395
Crystal structures and fragment screening of SARS-CoV-2 NSP14 reveal details of exoribonuclease activation and mRNA capping and provide starting points for antiviral drug development Nucleic Acids Research, 51 Jan 2023 DOI: 10.1093/nar/gkac1207
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structure of SALL4 zinc finger domain reveals link between AT-rich DNA binding and Okihiro syndrome Life Science Alliance, 6 Jan 2023 DOI: 10.26508/lsa.202201588
Discovery and hit-to-lead optimization of benzothiazole scaffold-based DNA gyrase inhibitors with potent activity against Acinetobacter baumannii and Pseudomonas aeruginosa Journal Of Medicinal Chemistry, Jan 2023 DOI: 10.1021/acs.jmedchem.2c01597
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
A reductive aminase switches to imine reductase mode for a bulky amine substrate Acs Catalysis, Jan 2023 DOI: 10.1021/acscatal.2c06066
Characterization of a glycan-binding complex of minor pilins completes the analysis of Streptococcus sanguinis type 4 pili subunits Proceedings Of The National Academy Of Sciences, 120 Jan 2023 DOI: 10.1073/pnas.2216237120
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Characterisation of an unusual cysteine pair in the Rieske carnitine monooxygenase CntA catalytic site The Febs Journal, Jan 2023 DOI: 10.1111/febs.16722
A cysteine pair controls flavin reduction by extracellular cytochromes during anoxic/oxic environmental transitions Mbio, Jan 2023 DOI: 10.1128/mbio.02589-22
Designed switch from covalent to non-covalent inhibitors of carboxylesterase Notum activity European Journal Of Medicinal Chemistry, 519 Jan 2023 DOI: 10.1016/j.ejmech.2023.115132
Differential sensing with arrays of de novo designed peptide assemblies Nature Communications, 14 Jan 2023 DOI: 10.1038/s41467-023-36024-y
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
The SPOC domain is a phosphoserine binding module that bridges transcription machinery with co- and post-transcriptional regulators Nature Communications, 14 Jan 2023 DOI: 10.1038/s41467-023-35853-1
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- [Science Highlight] Diamond Light Source, "Deciphering the sugar transport in plants" (2023)
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