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].
174 items found for 2019 [total: 2283]
Mycobacterial OtsA structures unveil substrate preference mechanism and allosteric regulation by 2-oxoglutarate and 2-phosphoglycerate Mbio, 10 Dec 2019 DOI: 10.1128/mBio.02272-19
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structural characterisation of melatonin as an inhibitor of the Wnt deacylase Notum Journal Of Pineal Research, Dec 2019 DOI: 10.1111/jpi.12630
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Broad spectrum β-lactamase inhibition by a thioether substituted bicyclic boronate Acs Infectious Diseases, Dec 2019 DOI: 10.1021/acsinfecdis.9b00330
Journal Paper I04-Macromolecular Crystallography
Structural insights into the intracellular region of the human magnesium transport mediator CNNM4 International Journal Of Molecular Sciences, 20 Dec 2019 DOI: 10.3390/ijms20246279
Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Molecular basis for GTP recognition by light‐activated guanylate cyclase RhGC The Febs Journal, Dec 2019 DOI: 10.1111/febs.15167
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ open access
The complex of Plasmodium falciparum falcipain-2 protease with an (E)-chalcone-based inhibitor highlights a novel, small, molecule-binding site Malaria Journal, 18 Dec 2019 DOI: 10.1186/s12936-019-3043-0
Single-domain antibodies as crystallization chaperones to enable structure-based inhibitor development for RBR E3 ubiquitin ligases Cell Chemical Biology, Dec 2019 DOI: 10.1016/j.chembiol.2019.11.007
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Decapping enzyme NUDT12 partners with BLMH for cytoplasmic surveillance of NAD-capped RNAs Cell Reports, 29 Dec 2019 DOI: 10.1016/j.celrep.2019.11.108
The crystal structure of human forkhead box N1 in complex with DNA reveals the structural basis for forkhead box family specificity Journal Of Biological Chemistry, Dec 2019 DOI: 10.1074/jbc.RA119.010365
Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection Proceedings Of The National Academy Of Sciences, 64 Dec 2019 DOI: 10.1073/pnas.1911776116
Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Synthesis and biological investigation of (+)-JD1, an organometallic BET bromodomain inhibitor Organometallics, Dec 2019 DOI: 10.1021/acs.organomet.9b00750
Structure and function of Bs164 β-mannosidase from Bacteroides salyersiae the founding member of glycoside hydrolase family GH164 Journal Of Biological Chemistry, Dec 2019 DOI: 10.1074/jbc.RA119.011591
Discovery of taniborbactam (VNRX-5133): A broad-spectrum serine- and metallo-β-lactamase inhibitor for carbapenem-resistant bacterial infections Journal Of Medicinal Chemistry, Nov 2019 DOI: 10.1021/acs.jmedchem.9b01518
Discovery of a potent and selective oral inhibitor of ERK1/2 (AZD0364) that is efficacious in both monotherapy and combination therapy in models of non-small cell lung cancer (NSCLC) Journal Of Medicinal Chemistry, Nov 2019 DOI: 10.1021/acs.jmedchem.9b01295
Journal Paper I04-Macromolecular Crystallography
Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1 Acta Crystallographica Section D Structural Biology, 75 Nov 2019 DOI: 10.1107/S2059798319014116
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The C-type lysozyme from the upper gastrointestinal tract of Opisthocomus hoatzin, the stinkbird International Journal Of Molecular Sciences, 20 Nov 2019 DOI: 10.3390/ijms20225531
The Plasmodium falciparum Hsp70-x chaperone assists the heat stress response of the malaria parasite The Faseb Journal, Nov 2019 DOI: 10.1096/fj.201901741R
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Crystal structure of the putative cyclase IdmH from the indanomycin nonribosomal peptide synthase/polyketide synthase Iucrj, 6 Nov 2019 DOI: 10.1107/S2052252519012399
Crystal structures of the Bacillus subtilis prophage lytic cassette proteins XepA and YomS Acta Crystallographica Section D Structural Biology, 75 Nov 2019 DOI: 10.1107/S2059798319013330
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structure-based design of a macrocyclic PROTAC Angewandte Chemie International Edition, Nov 2019 DOI: 10.1002/anie.201914396
Structure and kinetic properties of human d ‐aspartate oxidase, the enzyme‐controlling d ‐aspartate levels in brain The Faseb Journal, 20 Nov 2019 DOI: 10.1096/fj.201901703R
Journal Paper I04-Macromolecular Crystallography
PMP–diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis Chemical Communications, 55 Nov 2019 DOI: 10.1039/C9CC06975E
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Crystal structures of angiotensin-converting enzyme from Anopheles gambiae in its native form and with a bound inhibitor Biochemical Journal, 476 Nov 2019 DOI: 10.1042/BCJ20190635
Journal Paper I04-Macromolecular Crystallography
DNA SOS: Understanding DNA signaling pathways Nov 2019
Science Highlight I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Aspartate/asparagine-β-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern Nature Communications, 10 Oct 2019 DOI: 10.1038/s41467-019-12711-7
The molecular basis of endolytic activity of a multidomain alginate lyase from Defluviitalea phaphyphila, a representative of a new lyase family, PLxx Journal Of Biological Chemistry, Oct 2019 DOI: 10.1074/jbc.RA119.010716
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism Nature Chemical Biology, 15 Oct 2019 DOI: 10.1038/s41589-019-0370-y
Journal Paper I04-Macromolecular Crystallography I23-Long wavelength MX I24-Microfocus Macromolecular Crystallography
Structural insight into eukaryotic sterol transport through Niemann-Pick Type C proteins Cell, Oct 2019 DOI: 10.1016/j.cell.2019.08.038
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Krios I-Titan Krios I at Diamond Krios II-Titan Krios II at Diamond
Discovery of pyrazolocarboxamides as potent and selective receptor interacting protein 2 (RIP2) kinase inhibitors Acs Medicinal Chemistry Letters, 10 Oct 2019 DOI: 10.1021/acsmedchemlett.9b00141
Mip6 binds directly to the Mex67 UBA domain to maintain low levels of Msn2/4 stress‐dependent mRNAs Embo Reports, 20 Oct 2019 DOI: 10.15252/embr.201947964
The Pseudomonas aeruginosa T6SS delivers a periplasmic toxin that disrupts bacterial cell morphology Cell Reports, 29 Oct 2019 DOI: 10.1016/j.celrep.2019.08.094
Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis Nature Catalysis, 460 Oct 2019 DOI: 10.1038/s41929-019-0351-2
Journal Paper I04-Macromolecular Crystallography
Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors Bioorganic & Medicinal Chemistry Letters, 29 Oct 2019 DOI: 10.1016/j.bmcl.2019.126675
Journal Paper I04-Macromolecular Crystallography
Lessons from LIMK1 enzymology and their impact on inhibitor design Biochemical Journal, Oct 2019 DOI: 10.1042/BCJ20190517
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis Nature, 6 Oct 2019 DOI: 10.1038/s41586-019-1685-2
A structure-based rationale for sialic acid independent host-cell entry of Sosuga virus Proceedings Of The National Academy Of Sciences, 10 Oct 2019 DOI: 10.1073/pnas.1906717116
Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action Nature Communications, 10 Oct 2019 DOI: 10.1038/s41467-019-12684-7
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals Proceedings Of The National Academy Of Sciences, 116 Oct 2019 DOI: 10.1073/pnas.1903695116
Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut Nature Microbiology, 14 Oct 2019 DOI: 10.1038/s41564-019-0590-7
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography VMXi-Versatile Macromolecular Crystallography in situ
A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C Future Medicinal Chemistry, 11 Oct 2019 DOI: 10.4155/fmc-2019-0181
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
A tri-ionic anchor mechanism drives Ube2N-specific recruitment and K63-chain ubiquitination in TRIM ligases Nature Communications, 10 Oct 2019 DOI: 10.1038/s41467-019-12388-y
Structure-guided enhancement of selectivity of chemical probe inhibitors targeting bacterial seryl-tRNA synthetase Journal Of Medicinal Chemistry, Oct 2019 DOI: 10.1021/acs.jmedchem.9b01131
Human adenovirus type 26 uses sialic acid–bearing glycans as a primary cell entry receptor Science Advances, 5 Sept 2019 DOI: 10.1126/sciadv.aax3567
An oligomeric state‐dependent switch in the ER enzyme FICD regulates AMP ylation and de AMP ylation of BiP The Embo Journal, 66 Sept 2019 DOI: 10.15252/embj.2019102177
Atomic-resolution crystal structures of the immune protein conglutinin from cow reveal specific interactions of its binding site with N -acetylglucosamine Journal Of Biological Chemistry, Sept 2019 DOI: 10.1074/jbc.RA119.010271
Discovery, activity and characterisation of an AA10 lytic polysaccharide oxygenase from the shipworm symbiont Teredinibacter turnerae Biotechnology For Biofuels, 12 Sept 2019 DOI: 10.1186/s13068-019-1573-x
Building bridges in a series of estrogen receptor degraders: an application of metathesis in medicinal chemistry Acs Medicinal Chemistry Letters, 10 Sept 2019 DOI: 10.1021/acsmedchemlett.9b00370
OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo Nature Communications, 10 Sept 2019 DOI: 10.1038/s41467-019-11756-y
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
A family of dual-activity glycosyltransferase-phosphorylases mediates mannogen turnover and virulence in Leishmania parasites Cell Host & Microbe, 26 Sept 2019 DOI: 10.1016/j.chom.2019.08.009
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structures of influenza A virus RNA polymerase offer insight into viral genome replication Nature, 573 Sept 2019 DOI: 10.1038/s41586-019-1530-7
Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Krios I-Titan Krios I at Diamond
Crystal structure of peptide‐bound neprilysin reveals key binding interactions Febs Letters, 46 Sept 2019 DOI: 10.1002/1873-3468.13602
High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity Communications Biology, 2 Sept 2019 DOI: 10.1038/s42003-019-0587-z
Target highlights in CASP13: Experimental target structures through the eyes of their authors Proteins: Structure, Function, And Bioinformatics, 7 Sept 2019 DOI: 10.1002/prot.25805
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Homomeric GluA2(R) AMPA receptors can conduct when desensitized Nature Communications, 10 Sept 2019 DOI: 10.1038/s41467-019-12280-9
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Rotational symmetry of the structured Chip/LDB-SSDP core module of the Wnt enhanceosome Proceedings Of The National Academy Of Sciences, 5 Sept 2019 DOI: 10.1073/pnas.1912705116
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
A novel pyrazolopyrimidine ligand of human PGK1 and stress sensor DJ1 modulates the shelterin complex and telomere length regulation Neoplasia, 21 Sept 2019 DOI: 10.1016/j.neo.2019.07.008
Targeting of fumarate hydratase from Mycobacterium tuberculosis using allosteric inhibitors with a dimeric-binding mode Journal Of Medicinal Chemistry, Sept 2019 DOI: 10.1021/acs.jmedchem.9b01203
Water networks can determine the affinity of ligand binding to proteins Journal Of The American Chemical Society, Sept 2019 DOI: 10.1021/jacs.9b06275
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Evolutionary plasticity in the allosteric regulator binding site of pyruvate kinase isoform PykA from Pseudomonas aeruginosa Journal Of Biological Chemistry, Sept 2019 DOI: 10.1074/jbc.RA119.009156
Is the fate of clinical candidate Arry-520 already sealed? Predicting resistance in Eg5-inhibitor complexes Molecular Cancer Therapeutics, Sept 2019 DOI: 10.1158/1535-7163.MCT-19-0154
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Allosteric regulation of a prokaryotic small Ras-like GTPase contributes to cell polarity oscillations in bacterial motility Plos Biology, 17 Sept 2019 DOI: 10.1371/journal.pbio.3000459
Structural basis for activation of a diguanylate cyclase required for bacterial predation in Bdellovibrio Nature Communications, 10 Sept 2019 DOI: 10.1038/s41467-019-12051-6
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural basis of light-induced redox regulation in the Calvin–Benson cycle in cyanobacteria Proceedings Of The National Academy Of Sciences, 75 Sept 2019 DOI: 10.1073/pnas.1906722116
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography Krios I-Titan Krios I at Diamond Krios III-Titan Krios III at Diamond open access
Subunit interactions and arrangements in the fission yeast Mis16–Mis18–Mis19 complex Life Science Alliance, 2 Aug 2019 DOI: 10.26508/lsa.201900408
Structural and molecular insight into resistance mechanisms of first generation cMET inhibitors Acs Medicinal Chemistry Letters, Aug 2019 DOI: 10.1021/acsmedchemlett.9b00276
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The lipid transfer protein Saposin B does not directly bind CD1d for lipid antigen loading Wellcome Open Research, 4 Aug 2019 DOI: 10.12688/wellcomeopenres.15368.2
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Water-soluble, stable and azide-reactive strained dialkynes for biocompatible double strain-promoted click chemistry Organic & Biomolecular Chemistry, 126 Aug 2019 DOI: 10.1039/C9OB01745C
Journal Paper I04-Macromolecular Crystallography
Structural and biochemical studies of an NB-ARC domain from a plant NLR immune receptor Plos One, 14 Aug 2019 DOI: 10.1371/journal.pone.0221226
A natural Diels‐Alder biocatalyst enables efficient [4 + 2] cycloaddition under harsh reaction conditions Chemcatchem, Aug 2019 DOI: 10.1002/cctc.201901285
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Molecular features of lipoprotein CD0873 – a potential vaccine against the human pathogen Clostridioides difficile Journal Of Biological Chemistry, Aug 2019 DOI: 10.1074/jbc.RA119.010120
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Targeting the Mycobacterium tuberculosis transpeptidase Ldt Mt2 with cysteine-reactive inhibitors including ebselen Chemical Communications, 469 Aug 2019 DOI: 10.1039/C9CC04145A
Molecular basis of Class A β-lactamase inhibition by relebactam Antimicrobial Agents And Chemotherapy, Aug 2019 DOI: 10.1128/AAC.00564-19
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
High-resolution crystal structure of gelsolin domain 2 in complex with the physiological calcium ion Biochemical And Biophysical Research Communications, Aug 2019 DOI: 10.1016/j.bbrc.2019.08.013
Journal Paper I04-Macromolecular Crystallography
Temporal ordering in endocytic clathrin-coated vesicle formation via AP2 phosphorylation Developmental Cell, 50 Aug 2019 DOI: 10.1016/j.devcel.2019.07.017
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The structure of a polygamous repressor reveals how phage-inducible chromosomal islands spread in nature Nature Communications, 10 Aug 2019 DOI: 10.1038/s41467-019-11504-2
The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model Nature Communications, 10 Aug 2019 DOI: 10.1038/s41467-019-11508-y
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
High-resolution crystal structure of arthropod Eiger TNF suggests a mode of receptor engagement and altered surface charge within endosomes Communications Biology, 2 Aug 2019 DOI: 10.1038/s42003-019-0541-0
Development of macrocycle kinase inhibitors for ALK2 using Fibrodysplasia ossificans progressiva-derived endothelial cells Jbmr Plus, Aug 2019 DOI: 10.1002/jbm4.10230
Bicyclic boronate VNRX-5133 inhibits metallo- and serine-β-lactamases Journal Of Medicinal Chemistry, Aug 2019 DOI: 10.1021/acs.jmedchem.9b00911
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
α- d -Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal α-galactosidase A in Fabry disease Chemical Science, 42 Aug 2019 DOI: 10.1039/C9SC03342D
New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase Bioorganic & Medicinal Chemistry, 27 Aug 2019 DOI: 10.1016/j.bmc.2019.06.015
Discovery of a potent and selective fragment-like inhibitor of methyllysine reader protein spindlin 1 (SPIN1) Journal Of Medicinal Chemistry, Jul 2019 DOI: 10.1021/acs.jmedchem.9b00522
Journal Paper I04-Macromolecular Crystallography
Crystal structure of the Japanese encephalitis virus capsid protein Viruses, 11 Jul 2019 DOI: 10.3390/v11070623
2-amino-2, 3-dihydro-1h-indene-5-carboxamide-based discoidin domain receptors 1 (DDR1) inhibitors: design, synthesis, and in vivo anti-pancreatic cancer efficacy Journal Of Medicinal Chemistry, Jul 2019 DOI: 10.1021/acs.jmedchem.9b00365
Development of inhibitors against Mycobacterium abscessus tRNA (m 1 G37) methyltransferase (TrmD) using fragment-based approaches Journal Of Medicinal Chemistry, Jul 2019 DOI: 10.1021/acs.jmedchem.9b00809
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Novel and improved crystal structures of Haemophilus influenzae, E. coli and P. aeruginosa Penicillin-Binding-Protein 3 (PBP3) and N. gonorrhoeae PBP2: Towards a better understanding of β-lactam target-mediated resistance Journal Of Molecular Biology, Jul 2019 DOI: 10.1016/j.jmb.2019.07.010
Phosphite binding by the HtxB periplasmic binding protein depends on the protonation state of the ligand Scientific Reports, 9 Jul 2019 DOI: 10.1038/s41598-019-46557-2
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging Iucrj, 6 Jul 2019 DOI: 10.1107/S2052252519006651
Structure-guided discovery of a selective Mcl-1 inhibitor with cellular activity Journal Of Medicinal Chemistry, Jul 2019 DOI: 10.1021/acs.jmedchem.9b00134
A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites Communications Biology, 2 Jul 2019 DOI: 10.1038/s42003-019-0520-5
Positive functional synergy of structurally integrated artificial protein dimers assembled by Click chemistry Communications Chemistry, 2 Jul 2019 DOI: 10.1038/s42004-019-0185-5
Artificial β-propeller protein-based hydrolases Chemical Communications, 55 Jul 2019 DOI: 10.1039/C9CC04388H
Journal Paper I04-Macromolecular Crystallography
Storing copper in Streptomyces lividans: structural and biochemical properties of a copper storage protein Jul 2019
Thesis I02-Macromolecular Crystallography I04-Macromolecular Crystallography
Discovery of a first-in-class Receptor Interacting Protein 2 (RIP2) kinase specific clinical candidate, 2-((4-(Benzo[ d ]thiazol-5-ylamino)-6-( tert -butylsulfonyl)quinazolin-7-yl)oxy)ethyl dihydrogen phosphate, for the treatment of inflammatory diseases Journal Of Medicinal Chemistry, Jul 2019 DOI: 10.1021/acs.jmedchem.9b00575
Identification and structural analysis of the tripartite α-pore forming toxin of Aeromonas hydrophila Nature Communications, 10 Jul 2019 DOI: 10.1038/s41467-019-10777-x
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Hijacking the hijackers: Escherichia coli pathogenicity islands redirect helper phage packaging for their own benefit Molecular Cell, Jul 2019 DOI: 10.1016/j.molcel.2019.06.017
Design and synthesis of imidazole and triazole pyrazoles as Mycobacterium tuberculosis CYP121A1 inhibitors Chemistryopen, 8 Jul 2019 DOI: 10.1002/open.201900227
Structural mechanism of synergistic activation of Aurora kinase B/C by phosphorylated INCENP Nature Communications, 10 Jul 2019 DOI: 10.1038/s41467-019-11085-0
The hydrolase LpqI primes mycobacterial peptidoglycan recycling Nature Communications, 10 June 2019 DOI: 10.1038/s41467-019-10586-2
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Crystal structures of the recombinant β-factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics Acta Crystallographica Section D Structural Biology, 75 June 2019 DOI: 10.1107/S2059798319006910
Human antibodies that slow erythrocyte invasion potentiate malaria-neutralizing antibodies Cell, June 2019 DOI: 10.1016/j.cell.2019.05.025
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors Bioorganic & Medicinal Chemistry, June 2019 DOI: 10.1016/j.bmc.2019.06.027
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Enabling microbial syringol conversion through structure-guided protein engineering Proceedings Of The National Academy Of Sciences, June 2019 DOI: 10.1073/pnas.1820001116
Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase Nature Communications, 10 June 2019 DOI: 10.1038/s41467-019-10190-4
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Domain-interface dynamics of CFTR revealed by stabilizing nanobodies Nature Communications, 10 June 2019 DOI: 10.1038/s41467-019-10714-y
Journal Paper I02-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRPα Mabs, 11 June 2019 DOI: 10.1080/19420862.2019.1624123
Structure-guided fragment-based drug discovery at the synchrotron: screening binding sites and correlations with hotspot mapping Philosophical Transactions Of The Royal Society A: Mathematical, Physical And Engineering Sciences, 377 June 2019 DOI: 10.1098/rsta.2018.0422
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Evidence for phospholipid export from the bacterial inner membrane by the Mla ABC transport system Nature Microbiology, 106 June 2019 DOI: 10.1038/s41564-019-0481-y
Journal Paper I04-Macromolecular Crystallography
Crystal structure of the monomeric extracellular domain of α9 nicotinic receptor subunit in complex with α-conotoxin RgIA: molecular dynamics insights into RgIA binding to α9α10 nicotinic receptors Frontiers In Pharmacology, 10 May 2019 DOI: 10.3389/fphar.2019.00474
Navigating the structural landscape of de novo α-helical bundles Journal Of The American Chemical Society, May 2019 DOI: 10.1021/jacs.8b13354
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Design and evolution of an enzyme with a non-canonical organocatalytic mechanism Nature, 453 May 2019 DOI: 10.1038/s41586-019-1262-8
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry Nature Communications, 10 May 2019 DOI: 10.1038/s41467-019-10220-1
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Phosphorylation-mediated interactions with TOPBP1 couple 53BP1 and 9-1-1 to control the G1 DNA damage checkpoint Elife, May 2019 DOI: 10.7554/eLife.44353
Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe Nucleic Acids Research, May 2019 DOI: 10.1093/nar/gkz419
A histidine residue and a tetranuclear cuprous‐thiolate cluster dominate the copper loading landscape of a copper storage protein from Streptomyces lividans Chemistry – A European Journal, May 2019 DOI: 10.1002/chem.201901411
Journal Paper I04-Macromolecular Crystallography
15-deoxy-Δ12,14-Prostaglandin J2 inhibits human soluble epoxide hydrolase by a dual orthosteric and allosteric mechanism Communications Biology, 2 May 2019 DOI: 10.1038/s42003-019-0426-2
Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38α and BRD4 European Journal Of Medicinal Chemistry, May 2019 DOI: 10.1016/j.ejmech.2019.05.057
Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins Nature Communications, 10 May 2019 DOI: 10.1038/s41467-019-10059-6
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The structure of a GH149 β‐(1 → 3) glucan phosphorylase reveals a new surface oligosaccharide binding site and additional domains that are absent in the disaccharide‐specific GH94 glucose‐β‐(1 → 3)‐glucose (laminaribiose) phosphorylase Proteins: Structure, Function And Bioinformatics, May 2019 DOI: 10.1002/prot.25745
Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome Acta Crystallographica Section F Structural Biology Communications, 75 May 2019 DOI: 10.1107/S2053230X19003169
Hexameric NuMA:LGN structures promote multivalent interactions required for planar epithelial divisions Nature Communications, 10 May 2019 DOI: 10.1038/s41467-019-09999-w
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural basis of inhibition of the human serine hydroxymethyltransferase SHMT 2 by antifolate drugs Febs Letters, May 2019 DOI: 10.1002/1873-3468.13455
Protein crystallization in ionic-liquid hydrogel composite membranes Crystals, 9 May 2019 DOI: 10.3390/cryst9050253
Establishing drug discovery and identification of hit series for the anti-apoptotic proteins, Bcl-2 and Mcl-1 Acs Omega, 4 May 2019 DOI: 10.1021/acsomega.9b00611
The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases Nature Structural & Molecular Biology, 2 May 2019 DOI: 10.1038/s41594-019-0227-9
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Two enantiocomplementary Ephedrine Dehydrogenases from Arthrobacter sp. TS-15 with broad substrate specificity Acs Catalysis, May 2019 DOI: 10.1021/acscatal.9b00621
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The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function Nature Communications, 10 May 2019 DOI: 10.1038/s41467-019-09996-z
Structural basis for the C-domain selective angiotensin converting enzyme inhibition by bradykinin-potentiating peptide b (BPPb) Biochemical Journal, May 2019 DOI: 10.1042/BCJ20190290
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Dynamic and functional profiling of xylan-degrading enzymes in Aspergillus secretomes using activity-based probes Acs Central Science, May 2019 DOI: 10.1021/acscentsci.9b00221
Studies on the inhibition of AmpC and other β-lactamases by cyclic boronates Biochimica Et Biophysica Acta (bba) - General Subjects, 1863 Apr 2019 DOI: 10.1016/j.bbagen.2019.02.004
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Crystal structure of the putative peptide-binding protein AppA from Clostridium difficile Acta Crystallographica Section F Structural Biology Communications, 75 Apr 2019 DOI: 10.1107/S2053230X1900178X
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Equatorial active site compaction and electrostatic reorganization in catechol-O-methyltransferase Acs Catalysis, Apr 2019 DOI: 10.1021/acscatal.9b00174
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Efficient development of stable and highly functionalised peptides targeting the CK2α/CK2β protein–protein interaction Chemical Science, 114 Apr 2019 DOI: 10.1039/C9SC00798A
Optimization of vapor diffusion conditions for anti-CD20 crystallization and scale-up to meso batch Crystals, 9 Apr 2019 DOI: 10.3390/cryst9050230
Understanding the viruses that kill cancer cells Apr 2019
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FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation Journal Of Medicinal Chemistry, Mar 2019 DOI: 10.1021/acs.jmedchem.9b00304
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Members of the autophagy class III phosphatidylinositol 3-kinase complex I interact with GABARAP and GABARAPL1 via LIR motifs Autophagy, 21 Mar 2019 DOI: 10.1080/15548627.2019.1581009
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The fungal ribonuclease-like effector protein CSEP0064/BEC1054 represses plant immunity and interferes with degradation of host ribosomal RNA Plos Pathogens, 15 Mar 2019 DOI: 10.1371/journal.ppat.1007620
High-resolution structure of cas13b and biochemical characterization of RNA targeting and cleavage Cell Reports, 26 Mar 2019 DOI: 10.1016/j.celrep.2019.02.094
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A family of native amine dehydrogenases for the asymmetric reductive amination of ketones Nature Catalysis, 55 Mar 2019 DOI: 10.1038/s41929-019-0249-z
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Functionalized cyclophellitols are selective glucocerebrosidase inhibitors and induce a bona fide neuropathic Gaucher model in zebrafish Journal Of The American Chemical Society, Mar 2019 DOI: 10.1021/jacs.9b00056
Structural determinants of lipid specificity within Ups/PRELI lipid transfer proteins Nature Communications, 10 Mar 2019 DOI: 10.1038/s41467-019-09089-x
Structure of Papaver somniferum O-methyltransferase 1 reveals initiation of noscapine biosynthesis with implications for plant natural product methylation Acs Catalysis, Mar 2019 DOI: 10.1021/acscatal.9b01038
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Conservation of the structural and functional architecture of encapsulated ferritins in bacteria and archaea Biochemical Journal, 476 Mar 2019 DOI: 10.1042/BCJ20180922
Enhancement of benzothiazoles as Pteridine Reductase-1 (PTR1) inhibitors for the treatment of Trypanosomatidic infections Journal Of Medicinal Chemistry, Mar 2019 DOI: 10.1021/acs.jmedchem.8b02021
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Differential role for phosphorylation in alternative polyadenylation function versus nuclear import of SR-like protein CPSF6 Nucleic Acids Research, 10 Mar 2019 DOI: 10.1093/nar/gkz206
Inhibition of cysteine biosynthesis for the development of enhancers of antibiotic therapy Mar 2019
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Structural and functional analysis of glycoside hydrolase 138 enzymes targeting chain A galacturonic acid in the complex pectin rhamnogalacturonan II Journal Of Biological Chemistry, Mar 2019 DOI: 10.1074/jbc.RA118.006626
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MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM Proceedings Of The National Academy Of Sciences, 10 Mar 2019 DOI: 10.1073/pnas.1819085116
MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP Nature Communications, 10 Feb 2019 DOI: 10.1038/s41467-019-08450-4
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Deciphering the molecular mechanism underpinning phage arbitrium communication systems Molecular Cell, Feb 2019 DOI: 10.1016/j.molcel.2019.01.025
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Diversity within the adenovirus fiber knob hypervariable loops influences primary receptor interactions Nature Communications, 10 Feb 2019 DOI: 10.1038/s41467-019-08599-y
Crystal structure and substrate interactions of an unusual fungal non-CBM carrying GH26 endo-β-mannanase from Yunnania penicillata Scientific Reports, 9 Feb 2019 DOI: 10.1038/s41598-019-38602-x
Plasma kallikrein structure reveals apple domain disc rotated conformation compared to Factor XI Journal Of Thrombosis And Haemostasis, Feb 2019 DOI: 10.1111/jth.14418
Molecular basis of cullin-3 (Cul3) ubiquitin ligase subversion by vaccinia virus protein A55 Journal Of Biological Chemistry, Feb 2019 DOI: 10.1074/jbc.RA118.006561
Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs Scientific Reports, 9 Feb 2019 DOI: 10.1038/s41598-018-37330-y
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Structural insights into tiny bacterial harpoons Feb 2019
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The cell cycle regulator GpsB functions as cytosolic adaptor for multiple cell wall enzymes Nature Communications, 10 Jan 2019 DOI: 10.1038/s41467-018-08056-2
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The structure of the catalytic domain of the ATP synthase from Mycobacterium smegmatis is a target for developing antitubercular drugs Proceedings Of The National Academy Of Sciences, 60 Jan 2019 DOI: 10.1073/pnas.1817615116
Mechanistic insights into enzymatic catalysis by trehalase from the insect gut endosymbiont Enterobacter cloacae The Febs Journal, Jan 2019 DOI: 10.1111/febs.14760
Crystal structure of the plant symporter STP10 illuminates sugar uptake mechanism in monosaccharide transporter superfamily Nature Communications, 10 Jan 2019 DOI: 10.1038/s41467-018-08176-9
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Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents Bioorganic & Medicinal Chemistry Letters, Jan 2019 DOI: 10.1016/j.bmcl.2019.01.035
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Structural and functional analysis of the nucleotide and DNA binding activities of the human PIF1 helicase Nucleic Acids Research, 426 Jan 2019 DOI: 10.1093/nar/gkz028
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Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases Biology Open, 8 Jan 2019 DOI: 10.1242/bio.037663
Insights from the crystal structure of the chicken CREB3 bZIP suggest members of the CREB3 subfamily transcription factors may be activated in response to oxidative stress Protein Science, Jan 2019 DOI: 10.1002/pro.3573
Reaction of O2 with a diiron protein generates a mixed-valent Fe2+/Fe3+ center and peroxide Proceedings Of The National Academy Of Sciences, 37 Jan 2019 DOI: 10.1073/pnas.1809913116
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The structure of the AliC GH13 α-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the α-amylase family Acta Crystallographica Section D Structural Biology, 75 Jan 2019 DOI: 10.1107/S2059798318014900
Structure and flexibility of the extracellular region of the PirB receptor Journal Of Biological Chemistry, Jan 2019 DOI: 10.1074/jbc.RA118.004396
Architecture of microcin B17 synthetase: an octameric protein complex converting a ribosomally synthesized peptide into a DNA gyrase poison Molecular Cell, Jan 2019 DOI: 10.1016/j.molcel.2018.11.032
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Structure-guided design of a high affinity ligand for a riboswitch Rna, Jan 2019 DOI: 10.1261/rna.069567.118
Genetic, structural, and functional analysis of pathogenic variations causing methylmalonyl-CoA epimerase deficiency Biochimica Et Biophysica Acta (bba) - Molecular Basis Of Disease, Jan 2019 DOI: 10.1016/j.bbadis.2019.01.021
Design, synthesis and characterization of covalent kdm5 inhibitors Angewandte Chemie International Edition, 58 Jan 2019 DOI: 10.1002/anie.201810179
An esterase‐like lyase catalyzes acetate elimination in spirotetronate/spirotetramate biosynthesis Angewandte Chemie International Edition, Jan 2019 DOI: 10.1002/anie.201812105
Optimizing electroactive organisms: The effect of orthologous proteins Frontiers In Energy Research, 7 Jan 2019 DOI: 10.3389/fenrg.2019.00002
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- Ashleigh J. Burke, Sarah L. Lovelock, Amina Frese, Rebecca Crawshaw, Mary Ortmayer, Mark Dunstan, Colin Levy, Anthony P. Green, "Design and evolution of an enzyme with a non-canonical organocatalytic mechanism", Nature, 453 (2019), DOI: 10.1038/s41586-019-1262-8
- Stephen Marshall, Karl A. P. Payne, Karl Fisher, Mark D. White, Aisling Ní Cheallaigh, Arune Balaikaite, Stephen E. J. Rigby, David Leys, "The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry", Nature Communications, 10 (2019), DOI: 10.1038/s41467-019-10220-1
- Nicolas Bigot, Matthew Day, Robert A. Baldock, Felicity Z. Watts, Antony W. Oliver, Laurence H. Pearl, "Phosphorylation-mediated interactions with TOPBP1 couple 53BP1 and 9-1-1 to control the G1 DNA damage checkpoint", Elife (2019), DOI: 10.7554/eLife.44353
- Ashok Nuthanakanti, Ishtiyaq Ahmed, Saddam Y. Khatik, Saikrishnan Kayarat, Seergazhi G. Srivatsan, "Probing G-quadruplex topologies and recognition concurrently in real time and 3D using a dual-app nucleoside probe", Nucleic Acids Research (2019), DOI: 10.1093/nar/gkz419
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- Giancarlo Abis, Rebecca L. Charles, Jolanta Kopec, Wyatt W. Yue, R. Andrew Atkinson, Tam T. T. Bui, Steven Lynham, Simona Popova, Yin-Biao Sun, Franca Fraternali, Philip Eaton, Maria R. Conte, "15-deoxy-Δ12,14-Prostaglandin J2 inhibits human soluble epoxide hydrolase by a dual orthosteric and allosteric mechanism", Communications Biology, 2 (2019), DOI: 10.1038/s42003-019-0426-2
- Stephanie Myers, Duncan C. Miller, Lauren Molyneux, Mercedes Arasta, Ruth H. Bawn, Timothy Blackburn, Simon J. Cook, Noel Edwards, Jane A. Endicott, Bernard T. Golding, Roger J. Griffin, Tim Hammonds, Ian R. Hardcastle, Suzannah J. Harnor, Amy Heptinstall, Pamela Lochhead, Mathew P. Martin, Nick C. Martin, David R. Newell, Paul J. Owen, Leon C. Pang, Tristan Reuillon, Laurent J. M. Rigoreau, Huw Thomas, Julie A. Tucker, Lan-Zhen Wang, Ai-Ching Wong, Martin E. M. Noble, Stephen R. Wedge, Celine Cano, "Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38α and BRD4", European Journal Of Medicinal Chemistry (2019), DOI: 10.1016/j.ejmech.2019.05.057
- Martina Wirth, Wenxin Zhang, Minoo Razi, Lynet Nyoni, Dhira Joshi, Nicola O’reilly, Terje Johansen, Sharon A. Tooze, Stephane Mouilleron, "Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins", Nature Communications, 10 (2019), DOI: 10.1038/s41467-019-10059-6
- Sakonwan Kuhaudomlarp, Clare Stevenson, David M. Lawson, Robert Field, "The structure of a GH149 β‐(1 → 3) glucan phosphorylase reveals a new surface oligosaccharide binding site and additional domains that are absent in the disaccharide‐specific GH94 glucose‐β‐(1 → 3)‐glucose (laminaribiose) phosphorylase", Proteins: Structure, Function And Bioinformatics (2019), DOI: 10.1002/prot.25745
- James H. Thorpe, Emma V. Edgar, Kathrine J. Smith, Xiao Q. Lewell, Monika Rella, Gemma V. White, Oxana Polyakova, Pamela Nassau, Ann L. Walker, Duncan S. Holmes, Andrew C. Pearce, Yichen Wang, John Liddle, Alain Hovnanian, "Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome", Acta Crystallographica Section F Structural Biology Communications, 75, 385 - 391 (2019), DOI: 10.1107/S2053230X19003169
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- James B. Murray, James Davidson, Ijen Chen, Ben Davis, Pawel Dokurno, Christopher J. Graham, Richard Harris, Allan Jordan, Natalia Matassova, Christopher Pedder, Stuart Ray, Stephen D. Roughley, Julia Smith, Claire Walmsley, Yikang Wang, Neil Whitehead, Douglas S. Williamson, Patrick Casara, Thierry Le Diguarher, John Hickman, Jerome Stark, András Kotschy, Olivier Geneste, Roderick E. Hubbard, "Establishing drug discovery and identification of hit series for the anti-apoptotic proteins, Bcl-2 and Mcl-1", Acs Omega, 4, 8892 - 8906 (2019), DOI: 10.1021/acsomega.9b00611
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- Allison J. Bancroft, Colin W. Levy, Thomas A. Jowitt, Kelly S. Hayes, Seona Thompson, Edward A. Mckenzie, Matthew D. Ball, Eamon Dubaissi, Aidan P. France, Bruno Bellina, Catherine Sharpe, Aleksandr Mironov, Sheila L. Brown, Peter C. Cook, Andrew S. Macdonald, David J. Thornton, Richard K. Grencis, "The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function", Nature Communications, 10 (2019), DOI: 10.1038/s41467-019-09996-z
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- Samuel T. Cahill, Jonathan M. Tyrrell, Iva Hopkins Navratilova, Karina Calvopina, Sean W. Robinson, Christopher T. Lohans, Michael A. Mcdonough, Ricky Cain, Colin W. G. Fishwick, Matthew B. Avison, Timothy R. Walsh, Christopher J. Schofield, Jurgen Brem, "Studies on the inhibition of AmpC and other β-lactamases by cyclic boronates", Biochimica Et Biophysica Acta (bba) - General Subjects, 1863, 742 - 748 (2019), DOI: 10.1016/j.bbagen.2019.02.004
- Adam Hughes, Samuel Wilson, Eleanor J. Dodson, Johan P. Turkenburg, Anthony J. Wilkinson, "Crystal structure of the putative peptide-binding protein AppA from Clostridium difficile", Acta Crystallographica Section F Structural Biology Communications, 75 (2019), DOI: 10.1107/S2053230X1900178X
- Sylwia Czarnota, Linus O. Johannissen, Nicola J. Baxter, Felix Rummel, Alex L. Wilson, Matthew J. Cliff, Colin W. Levy, Nigel S. Scrutton, Jonathan P. Waltho, Sam Hay, "Equatorial active site compaction and electrostatic reorganization in catechol-O-methyltransferase", Acs Catalysis (2019), DOI: 10.1021/acscatal.9b00174
- Jessica Iegre, Paul Brear, David J. Baker, Yaw Sing Tan, Eleanor L. Atkinson, Hannah F. Sore, Daniel H. O'Donovan, Chandra S. Verma, Marko Hyvonen, David R. Spring, "Efficient development of stable and highly functionalised peptides targeting the CK2α/CK2β protein–protein interaction", Chemical Science, 114 (2019), DOI: 10.1039/C9SC00798A
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- [Science Highlight] Diamond Light Source, "Understanding the viruses that kill cancer cells" (2019)
- Daniel J. Wood, José Daniel Lopez-Fernandez, Leanne E. Knight, Islam Al-Khawaldeh, Conghao Gai, Shengyin Lin, Mathew P. Martin, Duncan C. Miller, Celine Cano, Jane A. Endicott, Ian R. Hardcastle, Martin E. M. Noble, Michael J. Waring, "FragLites - minimal, halogenated fragments displaying pharmacophore doublets. An efficient approach to druggability assessment and hit generation", Journal Of Medicinal Chemistry (2019), DOI: 10.1021/acs.jmedchem.9b00304
- Åsa Birna Birgisdottir, Stephane Mouilleron, Zambarlal Bhujabal, Martina Wirth, Eva Sjøttem, Gry Evjen, Wenxin Zhang, Rebecca Lee, Nicola O’reilly, Sharon A. Tooze, Trond Lamark, Terje Johansen, "Members of the autophagy class III phosphatidylinositol 3-kinase complex I interact with GABARAP and GABARAPL1 via LIR motifs", Autophagy, 21, 1 - 23 (2019), DOI: 10.1080/15548627.2019.1581009
- Helen G. Pennington, Rhian Jones, Seomun Kwon, Giulia Bonciani, Hannah Thieron, Thomas Chandler, Peggy Luong, Sian Natasha Morgan, Michal Przydacz, Tolga Bozkurt, Sarah Bowden, Melanie Craze, Emma J. Wallington, James Garnett, Mark Kwaaitaal, Ralph Panstruga, Ernesto Cota, Pietro D. Spanu, "The fungal ribonuclease-like effector protein CSEP0064/BEC1054 represses plant immunity and interferes with degradation of host ribosomal RNA", Plos Pathogens, 15 (2019), DOI: 10.1371/journal.ppat.1007620
- Ian M. Slaymaker, Pablo Mesa, Max J. Kellner, Soumya Kannan, Edward Brignole, Jeremy Koob, Patricia R. Feliciano, Stefano Stella, Omar O. Abudayyeh, Jonathan S. Gootenberg, Jonathan Strecker, Guillermo Montoya, Feng Zhang, "High-resolution structure of cas13b and biochemical characterization of RNA targeting and cleavage", Cell Reports, 26, 3741 - 3751.e5 (2019), DOI: 10.1016/j.celrep.2019.02.094
- Ombeline Mayol, Karine Bastard, Lilian Beloti, Amina Frese, Johan Turkenburg, Jean-Louis Petit, Aline Mariage, Adrien Debard, Virginie Pellouin, Alain Perret, Véronique De Berardinis, Anne Zaparucha, Gideon Grogan, Carine Vergne-Vaxelaire, "A family of native amine dehydrogenases for the asymmetric reductive amination of ketones", Nature Catalysis, 55 (2019), DOI: 10.1038/s41929-019-0249-z
- Marta Artola, Chi-Lin Kuo, Lindsey T. Lelieveld, Rhianna J. Rowland, Gijsbert A. Van Der Marel, Jeroen D. C. Codée, Rolf G. Boot, Gideon J. Davies, Johannes M. F. G. Aerts, Herman S. Overkleeft, "Functionalized cyclophellitols are selective glucocerebrosidase inhibitors and induce a bona fide neuropathic Gaucher model in zebrafish", Journal Of The American Chemical Society (2019), DOI: 10.1021/jacs.9b00056
- Xeni Miliara, Takashi Tatsuta, Jamie-Lee Berry, Sarah L. Rouse, Kübra Solak, Dror S. Chorev, Di Wu, Carol V. Robinson, Stephen Matthews, Thomas Langer, "Structural determinants of lipid specificity within Ups/PRELI lipid transfer proteins", Nature Communications, 10 (2019), DOI: 10.1038/s41467-019-09089-x
- Marc Cabry, Wendy Offen, Philip Saleh, Yi Li, Thilo Winzer, Ian A. Graham, Gideon J. Davies, "Structure of Papaver somniferum O-methyltransferase 1 reveals initiation of noscapine biosynthesis with implications for plant natural product methylation", Acs Catalysis (2019), DOI: 10.1021/acscatal.9b01038
- Didi He, Cecilia Piergentili, Jennifer Ross, Emma Tarrant, Laura R. Tuck, C. Logan Mackay, Zak Mciver, Kevin J. Waldron, David J. Clarke, Jon Marles-Wright, "Conservation of the structural and functional architecture of encapsulated ferritins in bacteria and archaea", Biochemical Journal, 476, 975 - 989 (2019), DOI: 10.1042/BCJ20180922
- Pasquale Linciano, Cecilia Pozzi, Lucia Dello Iacono, Flavio Di Pisa, Giacomo Landi, Alessio Bonucci, Sheraz Gul, Maria Kuzikov, Bernhard Ellinger, Gesa Witt, Nuno Santarem, Catarina Baptista, Caio Franco, Carolina Borsoi Moraes, Wolfgang Müller, Ulrike Wittig, Rosaria Luciani, Antony Sesenna, Antonio Quotadamo, Stefania Ferrari, Ina Pöhner, Anabela Cordeiro-Da-Silva, Stefano Mangani, Luca Costantino, Maria Paola Costi, "Enhancement of benzothiazoles as Pteridine Reductase-1 (PTR1) inhibitors for the treatment of Trypanosomatidic infections", Journal Of Medicinal Chemistry (2019), DOI: 10.1021/acs.jmedchem.8b02021
- Sooin Jang, Nicola J. Cook, Valerie Pye, Gregory J. Bedwell, Amanda M. Dudek, Parmit K. Singh, Peter Cherepanov, Alan N. Engelman, "Differential role for phosphorylation in alternative polyadenylation function versus nuclear import of SR-like protein CPSF6", Nucleic Acids Research, 10 (2019), DOI: 10.1093/nar/gkz206
- [Thesis] Nina Franko, "Inhibition of cysteine biosynthesis for the development of enhancers of antibiotic therapy" (2019)
- Aurore Labourel, Arnaud Basle, Jose Munoz-Munoz, Didier Ndeh, Simon Booth, Sergey A. Nepogodiev, Robert A. Field, Alan Cartmell, "Structural and functional analysis of glycoside hydrolase 138 enzymes targeting chain A galacturonic acid in the complex pectin rhamnogalacturonan II", Journal Of Biological Chemistry (2019), DOI: 10.1074/jbc.RA118.006626
- Jessica B. Casaletto, Melissa L. Geddie, Adnan O. Abu-Yousif, Kristina Masson, Aaron Fulgham, Antoine Boudot, Tim Maiwald, Jeffrey D. Kearns, Neeraj Kohli, Stephen Su, Maja Razlog, Andreas Raue, Ashish Kalra, Maria Håkansson, Derek T. Logan, Martin Welin, Shrikanta Chattopadhyay, Brian D. Harms, Ulrik B. Nielsen, Birgit Schoeberl, Alexey A. Lugovskoy, Gavin Macbeath, "MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM", Proceedings Of The National Academy Of Sciences, 10 (2019), DOI: 10.1073/pnas.1819085116
- Yahui Yan, Claudia Rato, Lukas Rohland, Steffen Preissler, David Ron, "MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP", Nature Communications, 10 (2019), DOI: 10.1038/s41467-019-08450-4
- Francisca Gallego Del Sol, José R. Penadés, Alberto Marina, "Deciphering the molecular mechanism underpinning phage arbitrium communication systems", Molecular Cell (2019), DOI: 10.1016/j.molcel.2019.01.025
- Alexander T. Baker, Alexander Greenshields Watson, Lynda Coughlan, James A. Davies, Hanni Uusi-Kerttula, David K. Cole, Pierre J. Rizkallah, Alan L. Parker, "Diversity within the adenovirus fiber knob hypervariable loops influences primary receptor interactions", Nature Communications, 10 (2019), DOI: 10.1038/s41467-019-08599-y
- Pernille Von Freiesleben, Olga V. Moroz, Elena Blagova, Mathias Wiemann, Nikolaj Spodsberg, Jane W. Agger, Gideon J. Davies, Keith S. Wilson, Henrik Stålbrand, Anne S. Meyer, Kristian B. R. M. Krogh, "Crystal structure and substrate interactions of an unusual fungal non-CBM carrying GH26 endo-β-mannanase from Yunnania penicillata", Scientific Reports, 9 (2019), DOI: 10.1038/s41598-019-38602-x
- Chan Li, Kayleigh M. Voos, Monika Pathak, Gareth Hall, Keith R. Mccrae, Ingrid Dreveny, Renhao Li, Jonas Emsley, "Plasma kallikrein structure reveals apple domain disc rotated conformation compared to Factor XI", Journal Of Thrombosis And Haemostasis (2019), DOI: 10.1111/jth.14418
- Chen Gao, Mitchell A. Pallett, Tristan I. Croll, Geoffrey L. Smith, Stephen C. Graham, "Molecular basis of cullin-3 (Cul3) ubiquitin ligase subversion by vaccinia virus protein A55", Journal Of Biological Chemistry (2019), DOI: 10.1074/jbc.RA118.006561
- Laura N. Jeffreys, Harshwardhan Poddar, Marina Golovanova, Colin Levy, Hazel M. Girvan, Kirsty J. Mclean, Michael W. Voice, David Leys, Andrew Munro, "Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs", Scientific Reports, 9 (2019), DOI: 10.1038/s41598-018-37330-y
- [Science Highlight] Diamond Light Source, "Structural insights into tiny bacterial harpoons" (2019)
- Robert M. Cleverley, Zoe J. Rutter, Jeanine Rismondo, Federico Corona, Ho-Ching Tiffany Tsui, Fuad A. Alatawi, Richard A. Daniel, Sven Halbedel, Orietta Massidda, Malcolm E. Winkler, Richard J. Lewis, "The cell cycle regulator GpsB functions as cytosolic adaptor for multiple cell wall enzymes", Nature Communications, 10 (2019), DOI: 10.1038/s41467-018-08056-2
- Alice Tianbu Zhang, Martin G. Montgomery, Andrew G. W. Leslie, Gregory M. Cook, John E. Walker, "The structure of the catalytic domain of the ATP synthase from Mycobacterium smegmatis is a target for developing antitubercular drugs", Proceedings Of The National Academy Of Sciences, 60 (2019), DOI: 10.1073/pnas.1817615116
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- Peter Aasted Paulsen, Tania F. Custodio, Bjorn Panyella Pedersen, "Crystal structure of the plant symporter STP10 illuminates sugar uptake mechanism in monosaccharide transporter superfamily", Nature Communications, 10 (2019), DOI: 10.1038/s41467-018-08176-9
- Stuart Francis, Daniel Croft, Alexander W. Schuettelkopf, Charles Parry, Angelo Pugliese, Ken Cameron, Sophie Claydon, Martin Drysdale, Claire Gardner, Andrea Gohlke, Gillian Goodwin, Christopher H. Gray, Jennifer Konczal, Laura Mcdonald, Mokdad Mezna, Andrew Pannifer, Nikki Paul, Laura Machesky, Heather Mckinnon, Justin Bower, "Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents", Bioorganic & Medicinal Chemistry Letters (2019), DOI: 10.1016/j.bmcl.2019.01.035
- Saba Dehghani-Tafti, Vladimir Levdikov, Alfred A. Antson, Ben Bax, Cyril M. Sanders, "Structural and functional analysis of the nucleotide and DNA binding activities of the human PIF1 helicase", Nucleic Acids Research, 426 (2019), DOI: 10.1093/nar/gkz028
- Federica Riccio, Sandeep K. Talapatra, Sally Oxenford, Richard Angell, Michela Mazzon, Frank Kozielski, "Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases", Biology Open, 8 (2019), DOI: 10.1242/bio.037663
- Keshalini Sabaratnam, Max Renner, Guido Paesen, Karl Harlos, Venugopal Nair, Raymond J. Owens, Jonathan M. Grimes, "Insights from the crystal structure of the chicken CREB3 bZIP suggest members of the CREB3 subfamily transcription factors may be activated in response to oxidative stress", Protein Science (2019), DOI: 10.1002/pro.3573
- Justin M. Bradley, Dimitri A. Svistunenko, Jacob Pullin, Natalie Hill, Rhona K. Stuart, Brian Palenik, Michael T. Wilson, Andrew M. Hemmings, Geoffrey R. Moore, Nick E. Le Brun, "Reaction of O2 with a diiron protein generates a mixed-valent Fe2+/Fe3+ center and peroxide", Proceedings Of The National Academy Of Sciences, 37 (2019), DOI: 10.1073/pnas.1809913116
- Jon Agirre, Olga Moroz, Sebastian Meier, Jesper Brask, Astrid Munch, Tine Hoff, Carsten Andersen, Keith S. Wilson, Gideon J. Davies, "The structure of the AliC GH13 α-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the α-amylase family", Acta Crystallographica Section D Structural Biology, 75, 1 - 7 (2019), DOI: 10.1107/S2059798318014900
- Hedwich C. Vlieg, Eric G. Huizinga, Bert J. C. Janssen, "Structure and flexibility of the extracellular region of the PirB receptor", Journal Of Biological Chemistry (2019), DOI: 10.1074/jbc.RA118.004396
- Dmitry Ghilarov, Clare E. M. Stevenson, Dmitrii Y. Travin, Julia Piskunova, Marina Serebryakova, Anthony Maxwell, David M. Lawson, Konstantin Severinov, "Architecture of microcin B17 synthetase: an octameric protein complex converting a ribosomally synthesized peptide into a DNA gyrase poison", Molecular Cell (2019), DOI: 10.1016/j.molcel.2018.11.032
- Lin Huang, Jia Wang, Timothy J. Wilson, David Lilley, "Structure-guided design of a high affinity ligand for a riboswitch", Rna (2019), DOI: 10.1261/rna.069567.118
- Kathrin Heuberger, Henry J. Bailey, Patricie Burda, Apirat Chaikuad, Ewelina Krysztofinska, Terttu Suormala, Céline Bürer, Seraina Lutz, Brian Fowler, D. Sean Froese, Wyatt W. Yue, Matthias R. Baumgartner, "Genetic, structural, and functional analysis of pathogenic variations causing methylmalonyl-CoA epimerase deficiency", Biochimica Et Biophysica Acta (bba) - Molecular Basis Of Disease (2019), DOI: 10.1016/j.bbadis.2019.01.021
- Saleta Vazquez-Rodriguez, Miranda Wright, Catherine M. Rogers, Adam P. Cribbs, Srikannathasan Velupillai, Martin Philpott, Henry Lee, James E. Dunford, Kilian V. M. Huber, Matthew B. Robers, James D. Vasta, Marie-Laetitia Thezenas, Sarah Bonham, Benedikt Kessler, James Bennett, Oleg Fedorov, Florence Raynaud, Adam Donovan, Julian Blagg, Vassilios Bavetsias, Udo Oppermann, Chas Bountra, Akane Kawamura, Paul E. Brennan, "Design, synthesis and characterization of covalent kdm5 inhibitors", Angewandte Chemie International Edition, 58, 515 - 519 (2019), DOI: 10.1002/anie.201810179
- Nicholas R. Lees, Li-Chen Han, Matthew J. Byrne, Jonathan Davies, Alice E. Parnell, Pollyanna E. Moreland, James E. M. Stach, Marc W. Van Der Kamp, Christine L. Willis, Paul R. Race, "An esterase‐like lyase catalyzes acetate elimination in spirotetronate/spirotetramate biosynthesis", Angewandte Chemie International Edition (2019), DOI: 10.1002/anie.201812105
- Bruno M. Fonseca, Luís Silva, Inês B. Trindade, Elin Moe, Pedro M. Matias, Ricardo O. Louro, Catarina M. Paquete, "Optimizing electroactive organisms: The effect of orthologous proteins", Frontiers In Energy Research, 7 (2019), DOI: 10.3389/fenrg.2019.00002
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