Instruments by Science Group
Macromolecular
Soft Condensed 
Imaging and
Biological
Magnetic
Structures and
Crystallography 
Spectroscopy I04-1 Contact
Beamline Phone Number:
+44 (0) 1235 778979
Principal Beamline Scientist:
Frank von Delft
Tel: +44 (0) 1235 778997
E-mail: [email protected]
Science Group Leader
Dave Hall
Email: [email protected]
Tel: +44 (0) 1235 778926
I04-1 Fixed wavelength MX
Status: Operational
Beamsize: 60 x 50
Detector: Eiger2 XE 9M
Wavelength: 0.92Å (fixed)
Energy: 13.445 keV
Detector: Eiger2 XE 9M
Wavelength: 0.92Å (fixed)
Energy: 13.445 keV
These publications are based on data gathered on beamline I04-1. If you are aware of any errors or publications that should be listed here, please send details to [email protected].
109 items found for 2019 [total: 1244]
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
Unstructured regions in IRE1α specify BiP-mediated destabilisation of the luminal domain dimer and repression of the UPR Elife, 8 Dec 2019 DOI: 10.7554/eLife.50793
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
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
Biochemical and structural insights into the cytochrome P450 reductase from Candida tropicalis Scientific Reports, 9 Dec 2019 DOI: 10.1038/s41598-019-56516-6
Engineering a surrogate human heteromeric α/β glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein Iucrj, 6 Nov 2019 DOI: 10.1107/S205225251901114X
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
Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors Scientific Reports, 9 Nov 2019 DOI: 10.1038/s41598-019-52141-5
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
[b]-Annulated halogen-substituted indoles as potential DYRK1A inhibitors Molecules, 24 Nov 2019 DOI: 10.3390/molecules24224090
Crystal structure of the catalytic D2 domain of the AAA + ATPase p97 reveals a putative helical split‐washer‐type mechanism for substrate unfolding Febs Letters, Nov 2019 DOI: 10.1002/1873-3468.13667
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
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
Molecular mechanism of SR protein kinase 1 inhibition by the herpes virus protein ICP27 Mbio, 10 Oct 2019 DOI: 10.1128/mBio.02551-19
Near-infrared dual bioluminescence imaging in mouse models of cancer using infraluciferin Elife, 8 Oct 2019 DOI: 10.7554/eLife.45801
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
Biomacromolecular charge chirality detected using chiral plasmonic nanostructures Nanoscale Horizons, 45 Oct 2019 DOI: 10.1039/C9NH00525K
Structure of the Cannabis sativa olivetol‐producing enzyme reveals cyclization plasticity in type III polyketide synthases The Febs Journal, 581 Oct 2019 DOI: 10.1111/febs.15089
S-adenosyl methionine cofactor modifications enhance the biocatalytic repertoire of small molecule C-alkylation Angewandte Chemie International Edition, 38 Oct 2019 DOI: 10.1002/anie.201908681
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
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
Fast iterative synthetic approach toward identification of novel highly selective p38 MAP kinase inhibitors Journal Of Medicinal Chemistry, 62 Oct 2019 DOI: 10.1021/acs.jmedchem.9b01227
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Structural basis for inhibition of human primase by arabinofuranosyl nucleoside analogues fludarabine and vidarabine Acs Chemical Biology, Sept 2019 DOI: 10.1021/acschembio.9b00367
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
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
Structural basis for the interaction of the chaperone Cbp3 with newly synthesized cytochrome b during mitochondrial respiratory chain assembly Journal Of Biological Chemistry, Sept 2019 DOI: 10.1074/jbc.RA119.010483
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
Structural insights into diverse modes of ICAM-1 binding by Plasmodium falciparum -infected erythrocytes Proceedings Of The National Academy Of Sciences, 8 Sept 2019 DOI: 10.1073/pnas.1911900116
Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
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
Rapid identification of novel allosteric PRC2 inhibitors Acs Chemical Biology, Sept 2019 DOI: 10.1021/acschembio.9b00468
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Analysis of glulisine crystallisation utilising phase diagrams and nucleants Crystals, 9 Sept 2019 DOI: 10.3390/cryst9090462
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
The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus Molecular Immunology, 112 Aug 2019 DOI: 10.1016/j.molimm.2019.04.026
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
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
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
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 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
Structural basis of glycerophosphodiester recognition by the Mycobacterium tuberculosis substrate-binding protein UgpB Acs Chemical Biology, Aug 2019 DOI: 10.1021/acschembio.9b00204
Developing chemical tools for the inhibition of activin A signalling Aug 2019 DOI: 10.17863/CAM.54235
Thesis I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs Molecular And Biochemical Parasitology, 231 Jul 2019 DOI: 10.1016/j.molbiopara.2019.111187
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
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
Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2) Bioorganic & Medicinal Chemistry, Jul 2019 DOI: 10.1016/j.bmc.2019.06.026
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Identification and characterization of mutations in ubiquitin required for non-covalent dimer formation Structure, Jul 2019 DOI: 10.1016/j.str.2019.06.008
Journal Paper B21-High Throughput SAXS I04-1-Macromolecular Crystallography (fixed wavelength) open access
Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site Extremophiles, 58 Jul 2019 DOI: 10.1007/s00792-019-01117-4
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Burkholderia pseudomallei d ‐alanine‐ d ‐alanine ligase; detailed characterisation and assessment of a potential antibiotic drug target The Febs Journal, 55 Jul 2019 DOI: 10.1111/febs.14976
Structure based design of potent selective inhibitors of protein kinase D1 (PKD1) Acs Medicinal Chemistry Letters, Jul 2019 DOI: 10.1021/acsmedchemlett.8b00658
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
19F‐NMR monitoring of reversible protein post‐translational modifications: Class D β‐lactamase carbamylation and inhibition Chemistry – A European Journal, Jul 2019 DOI: 10.1002/chem.201902529
Discovery of a thiadiazole–pyridazine-based allosteric glutaminase 1 inhibitor series that demonstrates oral bioavailability and activity in tumor xenograft models Journal Of Medicinal Chemistry, 62 Jul 2019 DOI: 10.1021/acs.jmedchem.9b00260
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Complex N-glycan breakdown by gut Bacteroides involves an extensive enzymatic apparatus encoded by multiple co-regulated genetic loci Nature Microbiology, 39 June 2019 DOI: 10.1038/s41564-019-0466-x
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
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
Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation Plos Biology, June 2019 DOI: 10.1371/journal.pbio.3000315
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
A ubiquitin-binding domain that binds a structural fold distinct from that of ubiquitin Structure, June 2019 DOI: 10.1016/j.str.2019.05.003
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
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
KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe Nature Communications, 10 June 2019 DOI: 10.1038/s41467-019-10419-2
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Structure and properties of a natural competence-associated pilin suggest a unique pilus tip-associated DNA receptor Mbio, 10 June 2019 DOI: 10.1128/mBio.00614-19
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Novel inhibitory function of the rhizomucor miehei lipase propeptide and three-dimensional structures of its complexes with the enzyme Acs Omega, 4 June 2019 DOI: 10.1021/acsomega.9b00612
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) 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
Revealing crystallographic protein minor states via multiconformer modeling and PanDDA background subtraction June 2019
Thesis I04-1-Macromolecular Crystallography (fixed wavelength)
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
BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design Nature Chemical Biology, June 2019 DOI: 10.1038/s41589-019-0294-6
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Nucleotide signaling pathway convergence in a cAMP‐sensing bacterial c‐di‐GMP phosphodiesterase The Embo Journal, 3 June 2019 DOI: 10.15252/embj.2018100772
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
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
Crystal structure and biophysical analysis of furfural detoxifying aldehyde reductase from Clostridium beijerinkii Applied And Environmental Microbiology, May 2019 DOI: 10.1128/AEM.00978-19
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Rapid covalent-probe discovery by electrophile-fragment screening Journal Of The American Chemical Society, May 2019 DOI: 10.1021/jacs.9b02822
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Crystal structure of phycocyanin from heterocyst-forming filamentous cyanobacterium Nostoc sp. WR13 International Journal Of Biological Macromolecules, May 2019 DOI: 10.1016/j.ijbiomac.2019.05.099
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Design and characterization of PE-PilA, a candidate fusion antigen for non-typeable Haemophilus influenzae vaccine Infection And Immunity, May 2019 DOI: 10.1128/IAI.00022-19
Unexpected roles of a tether harboring a tyrosine gatekeeper residue in modular nitrite reductase catalysis Acs Catalysis, May 2019 DOI: 10.1021/acscatal.9b01266
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
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
C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays European Journal Of Medicinal Chemistry, May 2019 DOI: 10.1016/j.ejmech.2019.05.041
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
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
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
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
TCR‐induced alteration of primary MHC peptide anchor residue European Journal Of Immunology, May 2019 DOI: 10.1002/eji.201948085
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Characterization of Thiamine diphosphate-dependent 4-hydroxybenzoylformate decarboxylase enzymes from Rhodococcus jostii RHA1 and Pseudomonas fluorescens Pf-5 involved in degradation of Aryl C 2 lignin degradation fragments Biochemistry, May 2019 DOI: 10.1021/acs.biochem.9b00177
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
HspB1 phosphorylation regulates its intramolecular dynamics and mechanosensitive molecular chaperone interaction with filamin C Science Advances, 5 May 2019 DOI: 10.1126/sciadv.aav8421
Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen Medchemcomm, Apr 2019 DOI: 10.1039/C9MD00096H
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Equatorial active site compaction and electrostatic reorganization in catechol-O-methyltransferase Acs Catalysis, Apr 2019 DOI: 10.1021/acscatal.9b00174
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling Bioorganic & Medicinal Chemistry Letters, Apr 2019 DOI: 10.1016/j.bmcl.2019.04.008
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
A GAP‐GTPase‐GDP‐Pi intermediate crystal structure analyzed by DFT shows GTP hydrolysis involves serial proton transfers Chemistry – A European Journal, Apr 2019 DOI: 10.1002/chem.201901627
Relative binding energies predict crystallographic binding modes of ethionamide booster lead compounds The Journal Of Physical Chemistry Letters, Apr 2019 DOI: 10.1021/acs.jpclett.9b00741
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Construction of a shape‐diverse fragment set: Design, synthesis and screen against Aurora‐A kinase Chemistry – A European Journal, 73 Apr 2019 DOI: 10.1002/chem.201900815
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
A folded conformation of MukBEF and cohesin Nature Structural & Molecular Biology, 26 Mar 2019 DOI: 10.1038/s41594-019-0196-z
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
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
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Targeting the small GTPase superfamily through their regulatory proteins Angewandte Chemie International Edition, Mar 2019 DOI: 10.1002/anie.201900585
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
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
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
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Structural comparison of enterococcus faecalis and human thymidylate synthase complexes with the substrate dUMP and its analogue FdUMP provides hints about enzyme conformational variabilities Molecules, 24 Mar 2019 DOI: 10.3390/molecules24071257
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory β subunit and quinolone-based compounds The Febs Journal, 255 Mar 2019 DOI: 10.1111/febs.14790
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
A three-domain copper-nitrite reductase with a unique sensing loop Iucrj, 6 Mar 2019 DOI: 10.1107/S2052252519000241
Distinct USP25 and USP28 oligomerization states regulate deubiquitinating activity Molecular Cell, Mar 2019 DOI: 10.1016/j.molcel.2019.02.030
Journal Paper B21-High Throughput SAXS I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
A parsimonious mechanism of sugar dehydration by human GDP-mannose-4,6-dehydratase Acs Catalysis, Mar 2019 DOI: 10.1021/acscatal.9b00064
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Crystal structure of the TreS-Pep2 complex, initiating α-glucan synthesis in the GlgE pathway of mycobacteria Journal Of Biological Chemistry, Mar 2019 DOI: 10.1074/jbc.RA118.004297
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP Nature Communications, 10 Feb 2019 DOI: 10.1038/s41467-019-08450-4
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structure-based in silico screening identifies a potent ebolavirus inhibitor from a traditional Chinese medicine library Journal Of Medicinal Chemistry, Feb 2019 DOI: 10.1021/acs.jmedchem.8b01328
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Identification and characterization of cytochrome P450 1232A24 and 1232F1 from Arthrobacter sp. and their role in the metabolic pathway of papaverine The Journal Of Biochemistry, Feb 2019 DOI: 10.1093/jb/mvz010
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Activation of the endonuclease that defines mRNA 3′ ends requires incorporation into an 8-subunit core cleavage and polyadenylation factor complex Molecular Cell, Feb 2019 DOI: 10.1016/j.molcel.2018.12.023
Cryo-EM structure and in vitro DNA packaging of a thermophilic virus with supersized T=7 capsids Proceedings Of The National Academy Of Sciences, 116 Feb 2019 DOI: 10.1073/pnas.1813204116
In vitro and in vivo characterization of the multiple isoforms of Schistosoma mansoni Hypoxanthine-guanine phosphoribosyltransferases Molecular And Biochemical Parasitology, Feb 2019 DOI: 10.1016/j.molbiopara.2019.02.005
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Structural insights into tiny bacterial harpoons Feb 2019
Science Highlight I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Tricyclic indazoles – a novel class of selective estrogen receptor degrader antagonists Journal Of Medicinal Chemistry, Jan 2019 DOI: 10.1021/acs.jmedchem.8b01837
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Structural and functional characterization of a frataxin from a thermophilic organism The Febs Journal, Jan 2019 DOI: 10.1111/febs.14750
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Structural studies of a surface-entropy reduction mutant of O-GlcNAcase Acta Crystallographica Section D Structural Biology, 75 Jan 2019 DOI: 10.1107/S2059798318016595
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
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome Bioorganic & Medicinal Chemistry Letters, Jan 2019 DOI: 10.1016/j.bmcl.2019.01.020
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models Science Advances, 5 Jan 2019 DOI: 10.1126/sciadv.aau7196
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Crystal structure of Mycobacterium tuberculosis FadB2 implicated in mycobacterial β-oxidation Acta Crystallographica Section D Structural Biology, 75 Jan 2019 DOI: 10.1107/S2059798318017242
A cell-surface GH9 endo-glucanase coordinates with surface glycan binding proteins to mediate xyloglucan uptake in the gut symbiont Bacteroides ovatus Journal Of Molecular Biology, Jan 2019 DOI: 10.1016/j.jmb.2019.01.008
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Thermostable branched-chain amino acid transaminases from the archaea geoglobus acetivorans and Archaeoglobus fulgidus: biochemical and structural characterization Frontiers In Bioengineering And Biotechnology, 7 Jan 2019 DOI: 10.3389/fbioe.2019.00007
Crystal structures of membrane transporter MmpL3, an anti-TB drug target Cell, 176 Jan 2019 DOI: 10.1016/j.cell.2019.01.003
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
One fold, two functions: cytochrome P460 and cytochrome c ′-β from the methanotroph Methylococcus capsulatus (Bath) Chemical Science, 15 Jan 2019 DOI: 10.1039/C8SC05210G
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
- Vitor Mendes, Marta Acebron Garcia De Eulate, Nupur Verma, Michael Blaszczyk, Márcio V. B. Dias, Tom L. Blundell, "Mycobacterial OtsA structures unveil substrate preference mechanism and allosteric regulation by 2-oxoglutarate and 2-phosphoglycerate", Mbio, 10 (2019), DOI: 10.1128/mBio.02272-19
- Niko Amin-Wetzel, Lisa Neidhardt, Yahui Yan, Matthias P. Mayer, David Ron, "Unstructured regions in IRE1α specify BiP-mediated destabilisation of the luminal domain dimer and repression of the UPR", Elife, 8 (2019), DOI: 10.7554/eLife.50793
- Yuguang Zhao, Jingshan Ren, James Hillier, Margaret Jones, Weixian Lu, E. Yvonne Jones, "Structural characterisation of melatonin as an inhibitor of the Wnt deacylase Notum", Journal Of Pineal Research (2019), DOI: 10.1111/jpi.12630
- Yi-Chun Isabella Tsai, Henrik Johansson, David Dixon, Stephen Martin, Chun-Wa Chung, Jane Clarkson, David House, Katrin Rittinger, "Single-domain antibodies as crystallization chaperones to enable structure-based inhibitor development for RBR E3 ubiquitin ligases", Cell Chemical Biology (2019), DOI: 10.1016/j.chembiol.2019.11.007
- Ana C. Ebrecht, Naadia Van Der Bergh, Susan T. L. Harrison, Martha S. Smit, B. Trevor Sewell, Diederik J. Opperman, "Biochemical and structural insights into the cytochrome P450 reductase from Candida tropicalis", Scientific Reports, 9 (2019), DOI: 10.1038/s41598-019-56516-6
- Alice Dawson, Paul Trumper, Juliana Oliveira De Souza, Holly Parker, Mathew J. Jones, Tim G. Hales, William N. Hunter, "Engineering a surrogate human heteromeric α/β glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein", Iucrj, 6 (2019), DOI: 10.1107/S205225251901114X
- Jakub Luptak, Michal Bista, David Fisher, Liz Flavell, Ning Gao, Kate Wickson, Steven L. Kazmirski, Tina Howard, Philip B. Rawlins, David Hargreaves, "Antibody fragments structurally enable a drug-discovery campaign on the cancer target Mcl-1", Acta Crystallographica Section D Structural Biology, 75, 1003 - 1014 (2019), DOI: 10.1107/S2059798319014116
- Irina Kufareva, Benoit Bestgen, Paul Brear, Renaud Prudent, Béatrice Laudet, Virginie Moucadel, Mohamed Ettaoussi, Celine F. Sautel, Isabelle Krimm, Matthias Engel, Odile Filhol, Marc Le Borgne, Thierry Lomberget, Claude Cochet, Ruben Abagyan, "Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors", Scientific Reports, 9 (2019), DOI: 10.1038/s41598-019-52141-5
- Christian Lechner, Maren Flaßhoff, Hannes Falke, Lutz Preu, Nadége Loaëc, Laurent Meijer, Stefan Knapp, Apirat Chaikuad, Conrad Kunick, "[b]-Annulated halogen-substituted indoles as potential DYRK1A inhibitors", Molecules, 24 (2019), DOI: 10.3390/molecules24224090
- Lasse Stach, R. Marc Morgan, Linda Makhlouf, Alice Douangamath, Frank Von Delft, Xiaodong Zhang, Paul S. Freemont, "Crystal structure of the catalytic D2 domain of the AAA + ATPase p97 reveals a putative helical split‐washer‐type mechanism for substrate unfolding", Febs Letters (2019), DOI: 10.1002/1873-3468.13667
- [Science Highlight] Diamond Light Source, "DNA SOS: Understanding DNA signaling pathways" (2019)
- Richard B. Tunnicliffe, William K. Hu, Michele Y. Wu, Colin Levy, A. Paul Mould, Edward A. Mckenzie, Rozanne M. Sandri-Goldin, Alexander P. Golovanov, "Molecular mechanism of SR protein kinase 1 inhibition by the herpes virus protein ICP27", Mbio, 10 (2019), DOI: 10.1128/mBio.02551-19
- Cassandra L. Stowe, Thomas A. Burley, Helen Allan, Maria Vinci, Gabriela Kramer-Marek, Daniela M Ciobota, Gary N. Parkinson, Tara L. Southworth, Giulia Agliardi, Alastair Hotblack, Mark F. Lythgoe, Bruce R. Branchini, Tammy L. Kalber, James C Anderson, Martin A. Pule, "Near-infrared dual bioluminescence imaging in mouse models of cancer using infraluciferin", Elife, 8 (2019), DOI: 10.7554/eLife.45801
- Mikael B. L. Winkler, Rune T. Kidmose, Maria Szomek, Katja Thaysen, Shaun Rawson, Stephen P. Muench, Daniel Wüstner, Bjorn Panyella Pedersen, "Structural insight into eukaryotic sterol transport through Niemann-Pick Type C proteins", Cell (2019), DOI: 10.1016/j.cell.2019.08.038
- Marion Rodier, Chantal Keijzer, Joel Milner, Affar S. Karimullah, Aleksander W. Roszak, Laurence D. Barron, Nikolaj Gadegaard, Adrian J. Lapthorn, Malcolm Kadodwala, "Biomacromolecular charge chirality detected using chiral plasmonic nanostructures", Nanoscale Horizons, 45 (2019), DOI: 10.1039/C9NH00525K
- Lewis J. Kearsey, Nicole Prandi, Vijaykumar Karuppiah, Cunyu Yan, David Leys, Helen Toogood, Eriko Takano, Nigel S. Scrutton, "Structure of the Cannabis sativa olivetol‐producing enzyme reveals cyclization plasticity in type III polyketide synthases", The Febs Journal, 581 (2019), DOI: 10.1111/febs.15089
- Iain J. W. Mckean, Joanna C. Sadler, Anibal Cuetos, Amina Frese, Luke D. Humphreys, Gideon Grogan, Paul A. Hoskisson, Glenn A. Burley, "S-adenosyl methionine cofactor modifications enhance the biocatalytic repertoire of small molecule C-alkylation", Angewandte Chemie International Edition, 38 (2019), DOI: 10.1002/anie.201908681
- Pedro Bule, Léa Chuzel, Elena Blagova, Liang Wu, Melissa A. Gray, Bernard Henrissat, Erdmann Rapp, Carolyn R. Bertozzi, Christopher H. Taron, Gideon J. Davies, "Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action", Nature Communications, 10 (2019), DOI: 10.1038/s41467-019-12684-7
- Sandra Röhm, Benedict-Tilman Berger, Martin Schroeder, Apirat Chaikuad, Rob Winkel, Koen F. W. Hekking, Jorg J. C. Benningshof, Gerhard Müller, Roberta Tesch, Mark Kudolo, Michael Forster, Stefan Laufer, Stefan Knapp, "Fast iterative synthetic approach toward identification of novel highly selective p38 MAP kinase inhibitors", Journal Of Medicinal Chemistry, 62, 10757 - 10782 (2019), DOI: 10.1021/acs.jmedchem.9b01227
- Sandro Holzer, Neil J. Rzechorzek, Isobel R. Short, Michael Jenkyn-Bedford, Luca Pellegrini, Mairi Kilkenny, "Structural basis for inhibition of human primase by arabinofuranosyl nucleoside analogues fludarabine and vidarabine", Acs Chemical Biology (2019), DOI: 10.1021/acschembio.9b00367
- Rosalba Lepore, Andriy Kryshtafovych, Markus Alahuhta, Harshul A. Veraszto, Yannick J. Bomble, Joshua C. Bufton, Alex N. Bullock, Cody Caba, Hongnan Cao, Owen R. Davies, Ambroise Desfosses, Matthew Dunne, Krzysztof Fidelis, Celia W. Goulding, Manickam Gurusaran, Irina Gutsche, Christopher J. Harding, Marcus D. Hartmann, Christopher S. Hayes, Andrzej Joachimiak, Petr G. Leiman, Peter Loppnau, Andrew L. Lovering, Vladimir V. Lunin, Karolina Michalska, Ignacio Mir‐sanchis, Alok Mitra, John Moult, George N. Phillips Jr, Daniel Pinkas, Phoebe A. Rice, Yufeng Tong, Maya Topf, Jonathan D. Walton, Torsten Schwede, "Target highlights in CASP13: Experimental target structures through the eyes of their authors", Proteins: Structure, Function, And Bioinformatics, 7 (2019), DOI: 10.1002/prot.25805
- Mama Ndi, Geoffrey Masuyer, Hannah Dawitz, Andreas Carlström, Mirco Michel, Arne Elofsson, Mikaela Rapp, Pal Stenmark, Martin Ott, "Structural basis for the interaction of the chaperone Cbp3 with newly synthesized cytochrome b during mitochondrial respiratory chain assembly", Journal Of Biological Chemistry (2019), DOI: 10.1074/jbc.RA119.010483
- John F. Darby, Adam P. Hopkins, Seishi Shimizu, Shirley M. Roberts, James A. Brannigan, Johan P. Turkenburg, Gavin H. Thomas, Roderick E. Hubbard, Marcus Fischer, "Water networks can determine the affinity of ligand binding to proteins", Journal Of The American Chemical Society (2019), DOI: 10.1021/jacs.9b06275
- Frank Lennartz, Cameron Smith, Alister G. Craig, Matthew K. Higgins, "Structural insights into diverse modes of ICAM-1 binding by Plasmodium falciparum -infected erythrocytes", Proceedings Of The National Academy Of Sciences, 8 (2019), DOI: 10.1073/pnas.1911900116
- Rose-Laure Indorato, Sandeep K. Talapatra, Fangzhu Lin, Shozeb Haider, Simon P. Mackay, Frank Kozielski, Dimitrios A. Skoufias, "Is the fate of clinical candidate Arry-520 already sealed? Predicting resistance in Eg5-inhibitor complexes", Molecular Cancer Therapeutics (2019), DOI: 10.1158/1535-7163.MCT-19-0154
- Jon A. Read, Jonathan Tart, Philip B. Rawlins, Clare Gregson, Karen Jones, Ning Gao, Xiahui Zhu, Ron Tomlinson, Erin Code, Tony Cheung, Huawei Chen, Sameer P. Kawatkar, Andy Bloecher, Sharan Bagal, Daniel H. O’donovan, James Robinson, "Rapid identification of novel allosteric PRC2 inhibitors", Acs Chemical Biology (2019), DOI: 10.1021/acschembio.9b00468
- Yanmin Li, Lata Govada, Hodaya V. Solomon, Richard B. Gillis, Gary G. Adams, Naomi E. Chayen, "Analysis of glulisine crystallisation utilising phase diagrams and nucleants", Crystals, 9 (2019), DOI: 10.3390/cryst9090462
- Richard W. Meek, Ian T. Cadby, Patrick J. Moynihan, Andrew K. Lovering, "Structural basis for activation of a diguanylate cyclase required for bacterial predation in Bdellovibrio", Nature Communications, 10 (2019), DOI: 10.1038/s41467-019-12051-6
- Jingshan Ren, Joanne E. Nettleship, Gemma Harris, William Mwangi, Nahid Rhaman, Clare Grant, Abhay Kotecha, Elizabeth Fry, Bryan Charleston, David I. Stuart, John Hammond, Raymond J. Owens, "The role of the light chain in the structure and binding activity of two cattle antibodies that neutralize bovine respiratory syncytial virus", Molecular Immunology, 112, 123 - 130 (2019), DOI: 10.1016/j.molimm.2019.04.026
- Gavin W. Collie, Cheryl M. Koh, Daniel J. O'Neill, Christopher J. Stubbs, Puneet Khurana, Alice Eddershaw, Arjan Snijder, Fredrik Mauritzson, Louise Barlind, Ian L. Dale, Joseph Shaw, Christopher Phillips, Edward J. Hennessy, Tony Cheung, Ana J. Narvaez, "Structural and molecular insight into resistance mechanisms of first generation cMET inhibitors", Acs Medicinal Chemistry Letters (2019), DOI: 10.1021/acsmedchemlett.9b00276
- Maria Shamin, Tomasz H. Benedyk, Stephen C. Graham, Janet E. Deane, "The lipid transfer protein Saposin B does not directly bind CD1d for lipid antigen loading", Wellcome Open Research, 4 (2019), DOI: 10.12688/wellcomeopenres.15368.2
- William J. Bradshaw, Jean-François Bruxelle, Andrea Kovacs-Simon, Nicholas J. Harmer, Claire Janoir, Severine Péchiné, K. Ravi Acharya, Stephen L. Michell, "Molecular features of lipoprotein CD0873 – a potential vaccine against the human pathogen Clostridioides difficile", Journal Of Biological Chemistry (2019), DOI: 10.1074/jbc.RA119.010120
- Antoni G. Wrobel, Zuzana Kadlecova, Jan Kamenicky, Ji-Chun Yang, Torsten Herrmann, Bernard T. Kelly, Airlie J. Mccoy, Philip R. Evans, Stephen Martin, Stefan Müller, Filip Sroubek, David Neuhaus, Stefan Honing, David J. Owen, "Temporal ordering in endocytic clathrin-coated vesicle formation via AP2 phosphorylation", Developmental Cell, 50, 494 - 508.e11 (2019), DOI: 10.1016/j.devcel.2019.07.017
- Lucile Moynie, Stefan Milenkovic, Gaëtan L. A. Mislin, Véronique Gasser, Giuliano Malloci, Etienne Baco, Rory P. Mccaughan, Malcolm G. P. Page, Isabelle J. Schalk, Matteo Ceccarelli, James H. Naismith, "The complex of ferric-enterobactin with its transporter from Pseudomonas aeruginosa suggests a two-site model", Nature Communications, 10 (2019), DOI: 10.1038/s41467-019-11508-y
- Jonathan S. Fenn, Ridvan Nepravishta, Collette S. Guy, James Harrison, Jesus Angulo, Alexander D. Cameron, Elizabeth Fullam, "Structural basis of glycerophosphodiester recognition by the Mycobacterium tuberculosis substrate-binding protein UgpB", Acs Chemical Biology (2019), DOI: 10.1021/acschembio.9b00204
- [Thesis] J. Mcloughlin, "Developing chemical tools for the inhibition of activin A signalling" (2019), DOI: 10.17863/CAM.54235
- Juliana Roverta Torini, Adriano De Freitas Fernandes, Vitor Hugo Balasco Serrao, Larissa Romanello, Louise Bird, Joanne E. Nettleship, Raymond J. Owens, Jose Brandao-Neto, Ana Eliza Zeraik, Ricardo Demarco, Humberto D'Muniz Pereira, "Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs", Molecular And Biochemical Parasitology, 231 (2019), DOI: 10.1016/j.molbiopara.2019.111187
- Andrew J. Whitehouse, Sherine E. Thomas, Karen P. Brown, Alexander Fanourakis, Daniel S.-H. Chan, M. Daben J. Libardo, Vitor Mendes, Helena I. M. Boshoff, R. Andres Floto, Chris Abell, Tom Blundell, Anthony G. Coyne, "Development of inhibitors against Mycobacterium abscessus tRNA (m 1 G37) methyltransferase (TrmD) using fragment-based approaches", Journal Of Medicinal Chemistry (2019), DOI: 10.1021/acs.jmedchem.9b00809
- Nathan B. P. Adams, Angus J. Robertson, C. Neil Hunter, Andrew Hitchcock, Claudine Bisson, "Phosphite binding by the HtxB periplasmic binding protein depends on the protonation state of the ligand", Scientific Reports, 9 (2019), DOI: 10.1038/s41598-019-46557-2
- Erik De Heuvel, Abhimanyu K. Singh, Pierre Boronat, Albert J. Kooistra, Tiffany Van Der Meer, Payman Sadek, Antoni R. Blaazer, Nathan C. Shaner, Daphne S. Bindels, Guy Caljon, Louis Maes, Geert Jan Sterk, Marco Siderius, Michael Oberholzer, Iwan J. P. De Esch, David G. Brown, Rob Leurs, "Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2)", Bioorganic & Medicinal Chemistry (2019), DOI: 10.1016/j.bmc.2019.06.026
- Mads Gabrielsen, Lori Buetow, Dominika Kowalczyk, Wei Zhang, Sachdev S. Sidhu, Danny Huang, "Identification and characterization of mutations in ubiquitin required for non-covalent dimer formation", Structure (2019), DOI: 10.1016/j.str.2019.06.008
- Hannes M. Beyer, Kornelia M. Mikula, Tatiana V. Kudling, Hideo Iwai, "Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site", Extremophiles, 58 (2019), DOI: 10.1007/s00792-019-01117-4
- Laura Diaz-Saez, Leah S. Torrie, Stuart P. Mcelroy, David Gray, William N. Hunter, "Burkholderia pseudomallei d ‐alanine‐ d ‐alanine ligase; detailed characterisation and assessment of a potential antibiotic drug target", The Febs Journal, 55 (2019), DOI: 10.1111/febs.14976
- Jianwen A. Feng, Patrick Lee, Moulay Hicham Alaoui, Kathy Barrett, Georgette M. Castanedo, Robert Godemann, Paul A. Mcewan, Xiaolu Wang, Ping Wu, Yamin Zhang, Seth F. Harris, Steven T Staben, "Structure based design of potent selective inhibitors of protein kinase D1 (PKD1)", Acs Medicinal Chemistry Letters (2019), DOI: 10.1021/acsmedchemlett.8b00658
- Emma Van Groesen, Christopher T. Lohans, Jurgen Brem, Kristina M. J. Aertker, Timothy D. W. Claridge, Christopher Schofield, "19F‐NMR monitoring of reversible protein post‐translational modifications: Class D β‐lactamase carbamylation and inhibition", Chemistry – A European Journal (2019), DOI: 10.1002/chem.201902529
- M. Raymond V. Finlay, Mark Anderton, Andrew Bailey, Scott Boyd, Joanna Brookfield, Ceri Cairnduff, Mark Charles, Anne Cheasty, Susan E. Critchlow, Janet Culshaw, Tennyson Ekwuru, Ian Hollingsworth, Neil Jones, Fred Leroux, Mairi Littleson, Hollie Mccarron, Jennifer Mckelvie, Lorraine Mooney, J. Willem M. Nissink, David Perkins, Steve Powell, Mar Jimenez Quesada, Piotr Raubo, Verity Sabin, James Smith, Peter D. Smith, Andrew Stark, Attilla Ting, Peng Wang, Zena Wilson, Jon J. Winter-Holt, J. Matthew Wood, Gail L. Wrigley, Guoqing Yu, Peng Zhang, "Discovery of a thiadiazole–pyridazine-based allosteric glutaminase 1 inhibitor series that demonstrates oral bioavailability and activity in tumor xenograft models", Journal Of Medicinal Chemistry, 62, 6540 - 6560 (2019), DOI: 10.1021/acs.jmedchem.9b00260
- Justina Briliūtė, Paulina A. Urbanowicz, Ana S. Luis, Arnaud Basle, Neil Paterson, Osmond Rebello, Jenifer Hendel, Didier A. Ndeh, Elisabeth C. Lowe, Eric C. Martens, Daniel I. R. Spencer, David N. Bolam, Lucy I. Crouch, "Complex N-glycan breakdown by gut Bacteroides involves an extensive enzymatic apparatus encoded by multiple co-regulated genetic loci", Nature Microbiology, 39 (2019), DOI: 10.1038/s41564-019-0466-x
- Patrick J. Moynihan, Ian T. Cadby, Natacha Veerapen, Monika Jankute, Marialuisa Crosatti, Galina V. Mukamolova, Andrew L. Lovering, Gurdyal S. Besra, "The hydrolase LpqI primes mycobacterial peptidoglycan recycling", Nature Communications, 10, 2647 (2019), DOI: 10.1038/s41467-019-10586-2
- Esa-Pekka Kumpula, Andrea J. Lopez, Leila Tajedin, Huijong Han, Inari Kursula, "Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation", Plos Biology (2019), DOI: 10.1371/journal.pbio.3000315
- Michael Lim, Joseph A. Newman, Hannah L. Williams, Laura Masino, Hazel Aitkenhead, Angeline E. Gravard, Opher Gileadi, Jesper Q. Svejstrup, "A ubiquitin-binding domain that binds a structural fold distinct from that of ubiquitin", Structure (2019), DOI: 10.1016/j.str.2019.05.003
- Daniel G. W. Alanine, Doris Quinkert, Rasika Kumarasingha, Shahid Mehmood, Francesca R. Donnellan, Nana K. Minkah, Bernadeta Dadonaite, Ababacar Diouf, Francis Galaway, Sarah E. Silk, Abhishek Jamwal, Jennifer M. Marshall, Kazutoyo Miura, Lander Foquet, Sean C. Elias, Geneviève M. Labbé, Alexander D. Douglas, Jing Jin, Ruth O. Payne, Joseph J. Illingworth, David J. Pattinson, David Pulido, Barnabas G. Williams, Willem A. De Jongh, Gavin J. Wright, Stefan H. I. Kappe, Carol V. Robinson, Carole A. Long, Brendan S. Crabb, Paul R. Gilson, Matthew Higgins, Simon J. Draper, "Human antibodies that slow erythrocyte invasion potentiate malaria-neutralizing antibodies", Cell (2019), DOI: 10.1016/j.cell.2019.05.025
- Nicolas Bery, Sandrine Legg, Judit Debreczeni, Jason Breed, Kevin Embrey, Christopher Stubbs, Paulina Kolasinska-Zwierz, Nathalie Barrett, Rose Marwood, Jo Watson, Jon Tart, Ross Overman, Ami Miller, Christopher Phillips, Ralph Minter, Terence H. Rabbitts, "KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe", Nature Communications, 10, 2607 (2019), DOI: 10.1038/s41467-019-10419-2
- Mohd Zulkifli Salleh, Vijaykumar Karuppiah, Matthew Snee, Angela Thistlethwaite, Colin W. Levy, David Knight, Jeremy P. Derrick, "Structure and properties of a natural competence-associated pilin suggest a unique pilus tip-associated DNA receptor", Mbio, 10, e00614-19 (2019), DOI: 10.1128/mBio.00614-19
- Olga V. Moroz, Elena Blagova, Verena Reiser, Rakhi Saikia, Sohel Dalal, Christian Isak Jørgensen, Vikram K. Bhatia, Lone Baunsgaard, Birgitte Andersen, Allan Svendsen, Keith S. Wilson, "Novel inhibitory function of the rhizomucor miehei lipase propeptide and three-dimensional structures of its complexes with the enzyme", Acs Omega, 4, 9964 - 9975 (2019), DOI: 10.1021/acsomega.9b00612
- Erik De Heuvel, Abhimanyu K. Singh, Ewald Edink, Tiffany Van Der Meer, Melanie Van Der Woude, Payman Sadek, Mikkel P. Krell-Jørgensen, Toine Van Den Bergh, Johan Veerman, Guy Caljon, Titilola D. Kalejaiye, Maikel Wijtmans, Louis Maes, Harry P. De Koning, Geert Jan Sterk, Marco Siderius, Iwan J. P. De Esch, David Brown, Rob Leurs, "Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors", Bioorganic & Medicinal Chemistry (2019), DOI: 10.1016/j.bmc.2019.06.027
- [Thesis] Justin T. Biel, "Revealing crystallographic protein minor states via multiconformer modeling and PanDDA background subtraction" (2019)
- Sherine E. Thomas, Patrick Collins, Rory Hennell James, Vitor Mendes, Sitthivut Charoensutthivarakul, Chris Radoux, Chris Abell, Anthony G. Coyne, R. Andres Floto, Frank Von Delft, Tom Blundell, "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 (2019), DOI: 10.1098/rsta.2018.0422
- William Farnaby, Manfred Koegl, Michael J. Roy, Claire Whitworth, Emelyne Diers, Nicole Trainor, David Zollman, Steffen Steurer, Jale Karolyi-Oezguer, Carina Riedmueller, Teresa Gmaschitz, Johannes Wachter, Christian Dank, Michael Galant, Bernadette Sharps, Klaus Rumpel, Elisabeth Traxler, Thomas Gerstberger, Renate Schnitzer, Oliver Petermann, Peter Greb, Harald Weinstabl, Gerd Bader, Andreas Zoephel, Alexander Weiss-Puxbaum, Katharina Ehrenhöfer-Wölfer, Simon Wöhrle, Guido Boehmelt, Joerg Rinnenthal, Heribert Arnhof, Nicola Wiechens, Meng-Ying Wu, Tom Owen-Hughes, Peter Ettmayer, Mark Pearson, Darryl B. Mcconnell, Alessio Ciulli, "BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design", Nature Chemical Biology (2019), DOI: 10.1038/s41589-019-0294-6
- Ian T. Cadby, Sarah M Basford, Ruth Nottingham, Richard Meek, Rebecca Lowry, Carey Lambert, Matthew Tridgett, Rob Till, Rashidah Ahmad, Rowena Fung, Laura Hobley, William S. Hughes, Patrick J. Moynihan, R. Elizabeth Sockett, Andrew L. Lovering, "Nucleotide signaling pathway convergence in a cAMP‐sensing bacterial c‐di‐GMP phosphodiesterase", The Embo Journal, 3 (2019), DOI: 10.15252/embj.2018100772
- Guto G. Rhys, Christopher W. Wood, Joseph L. Beesley, Nathan R. Zaccai, Antony Burton, R. Leo Brady, Andrew R. Thomson, Derek N. Woolfson, "Navigating the structural landscape of de novo α-helical bundles", Journal Of The American Chemical Society (2019), DOI: 10.1021/jacs.8b13354
- 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
- Alan F. Scott, Joel Cresser-Brown, Thomas L. Williams, Pierre J. Rizkallah, Yi Jin, Louis Y.-P. Luk, Rudolf K. Allemann, "Crystal structure and biophysical analysis of furfural detoxifying aldehyde reductase from Clostridium beijerinkii", Applied And Environmental Microbiology (2019), DOI: 10.1128/AEM.00978-19
- Efrat Resnick, Anthony Bradley, Jinrui Gan, Alice Douangamath, Tobias Krojer, Ritika Sethi, Paul P. Geurink, Anthony Aimon, Gabriel Amitai, Dom Bellini, James Bennett, Michael Fairhead, Oleg Fedorov, Ronen Gabizon, Jin Gan, Jingxu Guo, Alexander Plotnikov, Nava Reznik, Gian Filippo Ruda, Laura Diaz-Saez, Verena M. Straub, Tamas Szommer, Srikannathasan Velupillai, Daniel Zaidman, Yanling Zhang, Alun R. Coker, Christopher G. Dowson, Haim Barr, Chu Wang, Kilian V. M. Huber, Paul E. Brennan, Huib Ovaa, Frank Von Delft, Nir London, "Rapid covalent-probe discovery by electrophile-fragment screening", Journal Of The American Chemical Society (2019), DOI: 10.1021/jacs.9b02822
- Hiral M. Patel, Aleksander W. Roszak, Datta Madamwar, Richard J. Cogdell, "Crystal structure of phycocyanin from heterocyst-forming filamentous cyanobacterium Nostoc sp. WR13", International Journal Of Biological Macromolecules (2019), DOI: 10.1016/j.ijbiomac.2019.05.099
- Normand Blais, Don Somers, Denis Faubert, Steve Labbé, Cindy Castado, Carine Ysebaert, Louis-Patrick Gagnon, Josée Champagne, Martin Gagné, Denis Martin, "Design and characterization of PE-PilA, a candidate fusion antigen for non-typeable Haemophilus influenzae vaccine", Infection And Immunity (2019), DOI: 10.1128/IAI.00022-19
- Tobias Hedison, Rajesh Shenoy, Andreea Iulia Iorgu, Derren Heyes, Karl Fisher, Gareth Wright, Sam Hay, Robert Roy Eady, Svetlana Antonyuk, S. Samar Hasnain, Nigel S. Scrutton, "Unexpected roles of a tether harboring a tyrosine gatekeeper residue in modular nitrite reductase catalysis", Acs Catalysis (2019), DOI: 10.1021/acscatal.9b01266
- 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
- Yann-Vai Le Bihan, Rachel M. Lanigan, Butrus Atrash, Mark G. Mclaughlin, Srikannathasan Velupillai, Andrew G. Malcolm, Katherine S. England, Gian Filippo Ruda, N. Yi Mok, Anthony Tumber, Kathy Tomlin, Harry Saville, Erald Shehu, Craig Mcandrew, Leanne Carmichael, James M. Bennett, Fiona Jeganathan, Paul Eve, Adam Donovan, Angela Hayes, Francesca Wood, Florence I. Raynaud, Oleg Fedorov, Paul Brennan, Rosemary Burke, Rob Van Montfort, Olivia W. Rossanese, Julian Blagg, Vassilios Bavetsias, "C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays", European Journal Of Medicinal Chemistry (2019), DOI: 10.1016/j.ejmech.2019.05.041
- Laura Pirovano, Simone Culurgioni, Manuel Carminati, Andrea Alfieri, Silvia Monzani, Valentina Cecatiello, Chiara Gaddoni, Francesca Rizzelli, James Foadi, Sebastiano Pasqualato, Marina Mapelli, "Hexameric NuMA:LGN structures promote multivalent interactions required for planar epithelial divisions", Nature Communications, 10 (2019), DOI: 10.1038/s41467-019-09999-w
- Terence T. L. Tang, James A. W. Stowell, Chris H. Hill, Lori Passmore, "The intrinsic structure of poly(A) RNA determines the specificity of Pan2 and Caf1 deadenylases", Nature Structural & Molecular Biology, 2 (2019), DOI: 10.1038/s41594-019-0227-9
- Florian Madura, Pierre J. Rizkallah, Mateusz Legut, Christopher J. Holland, Anna Fuller, Anna Bulek, Andrea J. Schauenburg, Andrew Trimby, Jade R. Hopkins, Stephen Wells, Andrew Godkin, John J. Miles, Malkit Sami, Yi Li, Nathaniel Liddy, Bent K. Jakobsen, E. Joel Loveridge, David K. Cole, Andrew K. Sewell, "TCR‐induced alteration of primary MHC peptide anchor residue", European Journal Of Immunology (2019), DOI: 10.1002/eji.201948085
- Zhen Wei, Rachael C. Wilkinson, Goran M. M. Rashid, David Brown, Vilmos Fulop, Timothy D. H. Bugg, "Characterization of Thiamine diphosphate-dependent 4-hydroxybenzoylformate decarboxylase enzymes from Rhodococcus jostii RHA1 and Pseudomonas fluorescens Pf-5 involved in degradation of Aryl C 2 lignin degradation fragments", Biochemistry (2019), DOI: 10.1021/acs.biochem.9b00177
- Miranda P. Collier, T. Reid Alderson, Carin P. De Villiers, Daisy Nicholls, Heidi Y. Gastall, Timothy Allison, Matteo T. Degiacomi, He Jiang, Georg Mlynek, Dieter O. Fürst, Peter F. M. Van Der Ven, Kristina Djinovic-Carugo, Andrew J. Baldwin, Hugh Watkins, Katja Gehmlich, Justin L. P. Benesch, "HspB1 phosphorylation regulates its intramolecular dynamics and mechanosensitive molecular chaperone interaction with filamin C", Science Advances, 5 (2019), DOI: 10.1126/sciadv.aav8421
- Benjamin Nicholas Atkinson, David Steadman, Yuguang Zhao, James Sipthorp, Luca Vecchia, Reinis Reinholds Ruza, Fiona Jeganathan, Georgie Lines, Sarah Frew, Amy Monaghan, Svend Kjaer, Magda Bictash, Yvonne Jones, Paul V. Fish, "Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen", Medchemcomm (2019), DOI: 10.1039/C9MD00096H
- 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
- Mark Zak, Emily J. Hanan, Patrick Lupardus, David G. Brown, Colin Robinson, Michael Siu, Joseph P. Lyssikatos, F. Anthony Romero, Guiling Zhao, Terry Kellar, Rohan Mendonca, Nicholas C. Ray, Simon C. Goodacre, Peter H. Crackett, Neville Mclean, Christopher A. Hurley, Po-Wai Yuen, Yun-Xing Cheng, Xiongcai Liu, Marya Liimatta, Pawan Bir Kohli, Jim Nonomiya, Gary Salmon, Gerry Buckley, Julia Lloyd, Paul Gibbons, Nico Ghilardi, Jane R. Kenny, Adam Johnson, "Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling", Bioorganic & Medicinal Chemistry Letters (2019), DOI: 10.1016/j.bmcl.2019.04.008
- Yi Jin, Robert W. Molt Jr., Erika Pellegrini, "A GAP‐GTPase‐GDP‐Pi intermediate crystal structure analyzed by DFT shows GTP hydrolysis involves serial proton transfers", Chemistry – A European Journal (2019), DOI: 10.1002/chem.201901627
- Natalie J. Tatum, Fernanda Duarte, Shina C. L. Kamerlin, Ehmke Pohl, "Relative binding energies predict crystallographic binding modes of ethionamide booster lead compounds", The Journal Of Physical Chemistry Letters (2019), DOI: 10.1021/acs.jpclett.9b00741
- Rong Zhang, Patrick J. Mcintyre, Patrick M. Collins, Daniel J. Foley, Christopher Arthur, Frank Von Delft, Richard Bayliss, Stuart Warriner, Adam Nelson, "Construction of a shape‐diverse fragment set: Design, synthesis and screen against Aurora‐A kinase", Chemistry – A European Journal, 73 (2019), DOI: 10.1002/chem.201900815
- Frank Bürmann, Byung-Gil Lee, Thane Than, Ludwig Sinn, Francis J. O'Reilly, Stanislau Yatskevich, Juri Rappsilber, Bin Hu, Kim Nasmyth, Jan Lowe, "A folded conformation of MukBEF and cohesin", Nature Structural & Molecular Biology, 26, 227 - 236 (2019), DOI: 10.1038/s41594-019-0196-z
- 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
- 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
- Janine L. Gray, Frank Von Delft, Paul Brennan, "Targeting the small GTPase superfamily through their regulatory proteins", Angewandte Chemie International Edition (2019), DOI: 10.1002/anie.201900585
- 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
- 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
- Cecilia Pozzi, Stefania Ferrari, Rosaria Luciani, Giusy Tassone, Maria Costi, Stefano Mangani, "Structural comparison of enterococcus faecalis and human thymidylate synthase complexes with the substrate dUMP and its analogue FdUMP provides hints about enzyme conformational variabilities", Molecules, 24 (2019), DOI: 10.3390/molecules24071257
- Jiraporn Panmanee, Jack Bradley-Clarke, Jose M. Mato, Paul M. O'Neill, Svetlana V. Antonyuk, Samar Hasnain, "Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory β subunit and quinolone-based compounds", The Febs Journal, 255 (2019), DOI: 10.1111/febs.14790
- Diederik Johannes Opperman, Daniel Horacio Murgida, Sergio Daniel Dalosto, Carlos Dante Brondino, Felix Martín Ferroni, "A three-domain copper-nitrite reductase with a unique sensing loop", Iucrj, 6 (2019), DOI: 10.1107/S2052252519000241
- Malte Gersch, Jane L. Wagstaff, Angela V. Toms, Bradford Graves, Stefan M. V. Freund, David Komander, "Distinct USP25 and USP28 oligomerization states regulate deubiquitinating activity", Molecular Cell (2019), DOI: 10.1016/j.molcel.2019.02.030
- Martin Pfeiffer, Catrine Johansson, Tobias Krojer, Kathryn L. Kavanagh, Udo C. T. Oppermann, Bernd Nidetzky, "A parsimonious mechanism of sugar dehydration by human GDP-mannose-4,6-dehydratase", Acs Catalysis (2019), DOI: 10.1021/acscatal.9b00064
- Ali A. Kermani, Rana Roy, Chai Gopalasingam, Klaudia I. Kocurek, Trushar R. Patel, Luke J. Alderwick, Gurdyal S. Besra, Klaus Fütterer, "Crystal structure of the TreS-Pep2 complex, initiating α-glucan synthesis in the GlgE pathway of mycobacteria", Journal Of Biological Chemistry (2019), DOI: 10.1074/jbc.RA118.004297
- 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
- Faraz Shaikh, Yuguang Zhao, Luis Alvarez, Maria Iliopoulou, Christopher Thomas Lohans, Christopher J. Schofield, Sergi Padilla-Parra, Shirley W. I. Siu, Elizabeth Fry, Jingshan Ren, David I. Stuart, "Structure-based in silico screening identifies a potent ebolavirus inhibitor from a traditional Chinese medicine library", Journal Of Medicinal Chemistry (2019), DOI: 10.1021/acs.jmedchem.8b01328
- Jan M. Klenk, Max-Philipp Fischer, Paulina Dubiel, Mahima Sharma, Benjamin Rowlinson, Gideon Grogan, Bernhard Hauer, "Identification and characterization of cytochrome P450 1232A24 and 1232F1 from Arthrobacter sp. and their role in the metabolic pathway of papaverine", The Journal Of Biochemistry (2019), DOI: 10.1093/jb/mvz010
- Chris H. Hill, Vytautė Boreikaitė, Ananthanarayanan Kumar, Ana Casanal, Peter Kubík, Gianluca Degliesposti, Sarah Maslen, Angelica Mariani, Ottilie Von Loeffelholz, Mathias Girbig, Mark Skehel, Lori A. Passmore, "Activation of the endonuclease that defines mRNA 3′ ends requires incorporation into an 8-subunit core cleavage and polyadenylation factor complex", Molecular Cell (2019), DOI: 10.1016/j.molcel.2018.12.023
- Oliver W. Bayfield, Evgeny Klimuk, Dennis C. Winkler, Emma L. Hesketh, Maria Chechik, Naiqian Cheng, Eric C. Dykeman, Leonid Minakhin, Neil A. Ranson, Konstantin Severinov, Alasdair C. Steven, Alfred A. Antson, "Cryo-EM structure and in vitro DNA packaging of a thermophilic virus with supersized T=7 capsids", Proceedings Of The National Academy Of Sciences, 116, 3556 - 3561 (2019), DOI: 10.1073/pnas.1813204116
- Larissa Romanello, Ana Eliza Zeraik, Adriano De Freitas Fernandes, Juliana Roberta Torini, Louise E. Bird, Joanne E. Nettleship, Heather Rada, Yamini Reddivari, Ray J. Owens, Vitor Hugo Balasco Serrão, Ricardo Demarco, Jose Brandao-Neto, Humberto D'Muniz Pereira, "In vitro and in vivo characterization of the multiple isoforms of Schistosoma mansoni Hypoxanthine-guanine phosphoribosyltransferases", Molecular And Biochemical Parasitology (2019), DOI: 10.1016/j.molbiopara.2019.02.005
- [Science Highlight] Diamond Light Source, "Structural insights into tiny bacterial harpoons" (2019)
- James S. Scott, Andrew Bailey, David Buttar, Rodrigo J. Carbajo, Jon Curwen, Paul Davey, Robert D. M. Davies, Sebastien L. Degorce, Craig Donald, Eric Gangl, Ryan David Robert Greenwood, Sam Groombridge, Tony Johnson, Scott Lamont, Mandy Lawson, Andrew Lister, Christopher Morrow, Thomas A. Moss, Jennifer H. Pink, Radoslaw Polanski, "Tricyclic indazoles – a novel class of selective estrogen receptor degrader antagonists", Journal Of Medicinal Chemistry (2019), DOI: 10.1021/acs.jmedchem.8b01837
- Masooma Rasheed, Mostafa Jamshidiha, Rita Puglisi, Robert Yan, Ernesto Cota, Annalisa Pastore, "Structural and functional characterization of a frataxin from a thermophilic organism", The Febs Journal (2019), DOI: 10.1111/febs.14750
- Alexandra Males, Gideon J. Davies, "Structural studies of a surface-entropy reduction mutant of O-GlcNAcase", Acta Crystallographica Section D Structural Biology, 75, 70 - 78 (2019), DOI: 10.1107/S2059798318016595
- 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
- Gemma V. White, Emma V. Edgar, Duncan S. Holmes, Xiao Qing Lewell, John Liddle, Oxana Polyakova, Kathrine J. Smith, James H. Thorpe, Ann L. Walker, Yichen Wang, Robert J. Young, Alain Hovnanian, "Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome", Bioorganic & Medicinal Chemistry Letters (2019), DOI: 10.1016/j.bmcl.2019.01.020
- Mark Elliott, Christine Favre-Guilmard, Sai Man Liu, Jacquie Maignel, Geoffrey Masuyer, Matthew Beard, Christopher Boone, Denis Carré, Mikhail Kalinichev, Stephane Lezmi, Imran Mir, Camille Nicoleau, Shilpa Palan, Cindy Perier, Elsa Raban, Sicai Zhang, Min Dong, Pal Stenmark, Johannes Krupp, "Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models", Science Advances, 5 (2019), DOI: 10.1126/sciadv.aau7196
- Jonathan A. G. Cox, Rebecca C. Taylor, Alistair K. Brown, Samuel Attoe, Gurdyal S. Besra, Klaus Fütterer, "Crystal structure of Mycobacterium tuberculosis FadB2 implicated in mycobacterial β-oxidation", Acta Crystallographica Section D Structural Biology, 75, 101 - 108 (2019), DOI: 10.1107/S2059798318017242
- Matthew H. Foley, Guillaume Déjean, Glyn R. Hemsworth, Gideon J. Davies, Harry Brumer, Nicole M. Koropatkin, "A cell-surface GH9 endo-glucanase coordinates with surface glycan binding proteins to mediate xyloglucan uptake in the gut symbiont Bacteroides ovatus", Journal Of Molecular Biology (2019), DOI: 10.1016/j.jmb.2019.01.008
- Michail N. Isupov, Konstantin M. Boyko, Jan-Moritz Sutter, Paul James, Christopher Sayer, Marcel Schmidt, Peter Schoenheit, Alena Yu. Nikolaeva, Tatiana N. Stekhanova, Andrey V. Mardanov, Nikolai V. Ravin, Ekaterina Yu. Bezsudnova, Vladimir O. Popov, Jennifer A. Littlechild, "Thermostable branched-chain amino acid transaminases from the archaea geoglobus acetivorans and Archaeoglobus fulgidus: biochemical and structural characterization", Frontiers In Bioengineering And Biotechnology, 7, article 7 (2019), DOI: 10.3389/fbioe.2019.00007
- Bing Zhang, Jun Li, Xiaolin Yang, Lijie Wu, Jia Zhang, Yang Yang, Yao Zhao, Lu Zhang, Xiuna Yang, Xiaobao Yang, Xi Cheng, Zhijie Liu, Biao Jiang, Hualiang Jiang, Luke W. Guddat, Haitao Yang, Zihe Rao, "Crystal structures of membrane transporter MmpL3, an anti-TB drug target", Cell, 176, 636 - 648.e13 (2019), DOI: 10.1016/j.cell.2019.01.003
- Hannah R. Adams, Callie Krewson, Jenny E. Vardanega, Sotaro Fujii, Tadeo Moreno Chicano, Yoshihiro Sambongi, Dimitri Svistunenko, Jordi Paps, Colin R. Andrew, Michael A. Hough, "One fold, two functions: cytochrome P460 and cytochrome c ′-β from the methanotroph Methylococcus capsulatus (Bath)", Chemical Science, 15 (2019), DOI: 10.1039/C8SC05210G
Diamond Light Source is the UK's national synchrotron science facility, located at the Harwell Science and Innovation Campus in Oxfordshire.
Diamond Light Source Ltd
Diamond House
Harwell Science & Innovation Campus
Didcot
Oxfordshire
OX11 0DE
Copyright © Diamond Light Source. Diamond Light Source® and the Diamond logo are registered trademarks of Diamond Light Source Ltd
Registered in England and Wales at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom. Company number: 4375679. VAT number: 287 461 957. Economic Operators Registration and Identification (EORI) number: GB287461957003.