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].
179 items found for 2016 [total: 2283]
Robust background modelling in DIALS Journal Of Applied Crystallography, 49 Dec 2016 DOI: 10.1107/S1600576716013595
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Contribution of shape and charge to the inhibition of a family GH99 endo -α-1,2-mannanase Journal Of The American Chemical Society, Dec 2016 DOI: 10.1021/jacs.6b10075
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Multivalent histone and DNA engagement by a PHD/BRD/PWWP triple reader cassette recruits ZMYND8 to k14ac-rich chromatin Cell Reports, 17 Dec 2016 DOI: 10.1016/j.celrep.2016.11.014
The ciliopathy-associated Cep104 protein interacts with tubulin and Nek1 kinase Structure, Dec 2016 DOI: 10.1016/j.str.2016.11.014
Membrane pyrophosphatases from Thermotoga maritima and Vigna radiata suggest a conserved coupling mechanism Nature Communications, 7 Dec 2016 DOI: 10.1038/ncomms13596
Crystal structure of Schistosoma mansoni adenosine phosphorylase/5’-methylthioadenosine phosphorylase and its importance on adenosine salvage pathway Plos Neglected Tropical Diseases, 10 Dec 2016 DOI: 10.1371/journal.pntd.0005178
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural basis for potency and promiscuity in poly(ADP-ribose) polymerase (PARP) and tankyrase inhibitors Journal Of Medicinal Chemistry, Dec 2016 DOI: 10.1021/acs.jmedchem.6b00990
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Discovery and optimization of allosteric inhibitors of mutant isocitrate dehydrogenase 1 (R132H IDH1) displaying activity in human acute myeloid leukemia cells Journal Of Medicinal Chemistry, Dec 2016 DOI: 10.1021/acs.jmedchem.6b01320
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Molecular determinants of substrate specificity revealed by the structure of Clostridium thermocellum arabinofuranosidase 43A from glycosyl hydrolase family 43 subfamily 16 Acta Crystallographica Section D Structural Biology, 72 Dec 2016 DOI: 10.1107/S205979831601737X
Journal Paper I04-Macromolecular Crystallography
Molecular basis of RNA guanine-7 methyltransferase (RNMT) activation by RAM Nucleic Acids Research, 44 Dec 2016 DOI: 10.1093/nar/gkw637
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
The structure of murine APAO reveals molecular detail of vertebrate polyamine catabolism Biochemistry, Dec 2016 DOI: 10.1021/acs.biochem.6b01140
Journal Paper I04-Macromolecular Crystallography
Structures of type IV pilins from Thermus thermophilus demonstrate similarities with type II secretion system pseudopilins Journal Of Structural Biology, 196 Dec 2016 DOI: 10.1016/j.jsb.2016.08.006
Journal Paper I02-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Optimization of highly kinase selective Bis-anilino pyrimidine PAK1 inhibitors Acs Medicinal Chemistry Letters, 7 Dec 2016 DOI: 10.1021/acsmedchemlett.6b00322
Journal Paper I04-Macromolecular Crystallography
A TPX2 proteomimetic has enhanced affinity for aurora-a due to hydrocarbon stapling of a helix Acs Chemical Biology, 11 Dec 2016 DOI: 10.1021/acschembio.6b00727
Conserved residues in Ycf54 are required for protochlorophyllide formation in Synechocystis sp. PCC 6803 Biochemical Journal, Dec 2016 DOI: 10.1042/BCJ20161002
NMR-filtered virtual screening leads to non-metal chelating metallo-β-lactamase inhibitors Chemical Science, 8 Dec 2016 DOI: 10.1039/C6SC04524C
Crystal structure of a peptidyl-dipeptidase K-26-DCP from Actinomycete in complex with its natural inhibitor The Febs Journal, Nov 2016 DOI: 10.1111/febs.13928
Direct visualization of a Fe(IV)–OH intermediate in a heme enzyme Nature Communications, 7 Nov 2016 DOI: 10.1038/ncomms13445
Structure of Escherichia coli flavodiiron nitric oxide reductase Journal Of Molecular Biology, 428 Nov 2016 DOI: 10.1016/j.jmb.2016.10.008
Journal Paper I04-Macromolecular Crystallography
Crenactin forms actin-like double helical filaments regulated by arcadin-2 Elife, 5 Nov 2016 DOI: 10.7554/eLife.21600
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation European Journal Of Medicinal Chemistry, 124 Nov 2016 DOI: 10.1016/j.ejmech.2016.08.047
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
X-ray and cryo-EM structures of monomeric and filamentous actin-like protein MamK reveal changes associated with polymerization Proceedings Of The National Academy Of Sciences, Nov 2016 DOI: 10.1073/pnas.1612034113
Journal Paper I04-Macromolecular Crystallography
Functional and structural analysis of the angucyclinone ketoreductase SimC7 Nov 2016
Thesis I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Crystal structure of the neuropilin-1 MAM domain: completing the neuropilin-1 ectodomain picture Structure, 24 Nov 2016 DOI: 10.1016/j.str.2016.08.017
Conservation in the mechanism of glucuronoxylan hydrolysis revealed by the structure of glucuronoxylan xylanohydrolase ( Ct Xyn30A) from Clostridium thermocellum Acta Crystallographica Section D Structural Biology, 72 Nov 2016 DOI: 10.1107/S2059798316014376
Single-binding mode integration of hemicellulose degrading enzymes via adaptor scaffoldins in Ruminococcus flavefaciens cellulosome Journal Of Biological Chemistry, Nov 2016 DOI: 10.1074/jbc.M116.761643
Discovery of potent inhibitors of the lysophospholipase autotaxin Bioorganic & Medicinal Chemistry Letters, 26 Nov 2016 DOI: 10.1016/j.bmcl.2016.10.036
Journal Paper I04-Macromolecular Crystallography
Identification of (R)‑N‑((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)‑1H‑indole-3-carboxamide (CPI-1205)Lymphomas... Journal Of Medicinal Chemistry, 59 Nov 2016 DOI: 10.1021/acs.jmedchem.6b01315
Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase Medchemcomm, Nov 2016 DOI: 10.1039/C6MD00531D
Engineering archeal surrogate systems for the development of protein–protein interaction inhibitors against human RAD51 Journal Of Molecular Biology, 428 Nov 2016 DOI: 10.1016/j.jmb.2016.10.009
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
An unconventional interaction between Dis1/TOG and Mal3/EB1 promotes the fidelity of chromosome segregation Journal Of Cell Science, Nov 2016 DOI: 10.1242/jcs.197533
Structure of the epigenetic oncogene MMSET and inhibition by N-alkyl sinefungin derivatives Acs Chemical Biology, 11 Nov 2016 DOI: 10.1021/acschembio.6b00308
Structure-guided design of purine-based probes for selective Nek2 inhibition Oncotarget, Nov 2016 DOI: 10.18632/oncotarget.13249
E. coli's adhesive secret Nov 2016
Science Highlight I04-Macromolecular Crystallography
Structure of the bacterial plant-ferredoxin receptor FusA Nature Communications, 7 Oct 2016 DOI: 10.1038/ncomms13308
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Essential but not vulnerable: indazole sulfonamides targeting inosine monophosphate dehydrogenase as potential leads against Mycobacterium tuberculosis Acs Infectious Diseases, Oct 2016 DOI: 10.1021/acsinfecdis.6b00103
The role of ADP-ribosylation in regulating DNA interstrand crosslink repair Journal Of Cell Science, 129 Oct 2016 DOI: 10.1242/jcs.193375
Wnt signalosome assembly by dep domain swapping of dishevelled Molecular Cell, 64 Oct 2016 DOI: 10.1016/j.molcel.2016.08.026
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Crystal structure of glycoprotein C from a hantavirus in the post-fusion conformation Plos Pathogens, 12 Oct 2016 DOI: 10.1371/journal.ppat.1005948
Mirror-image packing provides a molecular basis for the nanomolar equipotency of enantiomers of an experimental herbicide Angewandte Chemie International Edition, 55 Oct 2016 DOI: 10.1002/anie.201607185
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Structure-guided redesign of CYP153AM.aq for the improved terminal hydroxylation of fatty acid Chemcatchem, 8 Oct 2016 DOI: 10.1002/cctc.201600680
Inflammation-induced adhesin-receptor interaction provides a fitness advantage to uropathogenic E. coli during chronic infection Cell Host & Microbe, 20 Oct 2016 DOI: 10.1016/j.chom.2016.08.013
Journal Paper I04-Macromolecular Crystallography
Optimisation of a novel series of potent and orally bioavailable azanaphthyridine SYK inhibitors Bioorganic & Medicinal Chemistry Letters, 26 Oct 2016 DOI: 10.1016/j.bmcl.2016.08.070
Journal Paper I04-Macromolecular Crystallography
Development of selective CBP/P300 benzoxazepine bromodomain inhibitors Journal Of Medicinal Chemistry, 59 Oct 2016 DOI: 10.1021/acs.jmedchem.6b00774
Journal Paper I04-Macromolecular Crystallography
Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia Science Advances, 2 Oct 2016 DOI: 10.1126/sciadv.1600760
Structural basis of glycogen biosynthesis regulation in bacteria Structure, 24 Sept 2016 DOI: 10.1016/j.str.2016.06.023
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Substrate-assisted catalysis in polyketide reduction proceeds via a phenolate intermediate Cell Chemical Biology, Sept 2016 DOI: 10.1016/j.chembiol.2016.07.018
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
A putative siderophore-interacting protein from the marine bacterium Shewanella frigidimarina NCIMB 400: cloning, expression, purification, crystallization and X-ray diffraction analysis Acta Crystallographica Section F Structural Biology Communications, 72 Sept 2016 DOI: 10.1107/S2053230X16011419
Structure of the dual-mode Wnt regulator kremen1 and insight into ternary complex formation with LRP6 and Dickkopf Structure, 24 Sept 2016 DOI: 10.1016/j.str.2016.06.020
Identification of KasA as the cellular target of an anti-tubercular scaffold Nature Communications, 7 Sept 2016 DOI: 10.1038/ncomms12581
Laboratory-evolved enzymes provide snapshots of the development of enantioconvergence in enzyme-catalyzed epoxide hydrolysis Chembiochem, 17 Sept 2016 DOI: 10.1002/cbic.201600330
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Casitas B-lineage lymphoma linker helix mutations found in myeloproliferative neoplasms affect conformation Bmc Biology, 14 Sept 2016 DOI: 10.1186/s12915-016-0298-6
Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension Proceedings Of The National Academy Of Sciences, 113 Sept 2016 DOI: 10.1073/pnas.1525308113
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Benzene probes in molecular dynamics simulations reveal novel binding sites for ligand design The Journal Of Physical Chemistry Letters, 7 Sept 2016 DOI: 10.1021/acs.jpclett.6b01525
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural and biochemical characterization of Rm3, a subclass B3 metallo-β-lactamase identified from a functional metagenomic study Antimicrobial Agents And Chemotherapy, 60 Sept 2016 DOI: 10.1128/AAC.00750-16
Journal Paper I04-Macromolecular Crystallography
Structure and biocatalytic scope of thermophilic flavin-dependent halogenase and flavin reductase enzymes Organic & Biomolecular Chemistry, 14 Sept 2016 DOI: 10.1039/C6OB01861K
Exploration of pathomechanisms triggered by a single-nucleotide polymorphism in titin's I-band: the cardiomyopathy-linked mutation T2580I Open Biology, 6 Sept 2016 DOI: 10.1098/rsob.160114
Journal Paper I02-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Activity, stability and 3-D structure of the Cu(ii) form of a chitin-active lytic polysaccharide monooxygenase from Bacillus amyloliquefaciens Dalton Transactions, 45 Sept 2016 DOI: 10.1039/C6DT02793H
Journal Paper I04-Macromolecular Crystallography
Exploring the selectivity of metal ions in the active site of the enzyme superoxide dismutase (SOD) using site-directed mutagenesis Sept 2016
Thesis I04-Macromolecular Crystallography
Insertion device alignment for the Diamond Light Source Sept 2016
Conference Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Exploring the active site of the Streptococcus pneumoniae topoisomerase IV–DNA cleavage complex with novel 7,8-bridged fluoroquinolones Open Biology, 6 Sept 2016 DOI: 10.1098/rsob.160157
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Crystallization and X-ray diffraction analysis of an L -arabinonate dehydratase from Rhizobium leguminosarum bv. trifolii and a D-xylonate dehydratase from Caulobacter crescentus Acta Crystallographica Section F Structural Biology Communications, 72 Aug 2016 DOI: 10.1107/S2053230X16010311
Profiling of flavonol derivatives for the development of antitrypanosomatidic drugs Journal Of Medicinal Chemistry, Aug 2016 DOI: 10.1021/acs.jmedchem.6b00698
aPKC inhibition by Par3 CR3 flanking regions controls substrate access and underpins apical-junctional polarization Developmental Cell, 38 Aug 2016 DOI: 10.1016/j.devcel.2016.07.018
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Pinpointing a mechanistic switch between ketoreduction and “ene” reduction in short-chain dehydrogenases/reductases Angewandte Chemie International Edition, 55 Aug 2016 DOI: 10.1002/anie.201603785
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Hypertrophic cardiomyopathy mutations in the calponin-homology domain of ACTN2 affect actin binding and cardiomyocyte Z-disc incorporation Biochemical Journal, 473 Aug 2016 DOI: 10.1042/BCJ20160421
Structure of an acetylating aldehyde dehydrogenase from the thermophilic ethanologen Geobacillus thermoglucosidasius Protein Science, Aug 2016 DOI: 10.1002/pro.3027
Journal Paper I04-Macromolecular Crystallography
Structures of mammalian ER α-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals Proceedings Of The National Academy Of Sciences, 113 Aug 2016 DOI: 10.1073/pnas.1604463113
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
The SCP2-thiolase-like protein (SLP) of Trypanosoma brucei is an enzyme involved in lipid metabolism Proteins: Structure, Function, And Bioinformatics, 84 Aug 2016 DOI: 10.1002/prot.25054
Structural basis of metallo-β-lactamase, serine-β-lactamase and penicillin-binding protein inhibition by cyclic boronates Nature Communications, 7 Aug 2016 DOI: 10.1038/ncomms12406
Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer Oncotarget, Aug 2016 DOI: 10.18632/oncotarget.11487
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments Elife, 5 Aug 2016 DOI: 10.7554/eLife.18972
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Structural and mechanistic insights into a Bacteroides vulgatus retaining N-acetyl-β-galactosaminidase that uses neighbouring group participation Chemical Communications, Aug 2016 DOI: 10.1039/C6CC04649E
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases Nature Communications, 7 Aug 2016 DOI: 10.1038/ncomms12673
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural basis for plexin activation and regulation Neuron, 91 Aug 2016 DOI: 10.1016/j.neuron.2016.06.018
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Studying the flexibility of the RNA-dependent RNA polymerase of influenza virus Aug 2016
Diamond Annual Review Highlight B21-High Throughput SAXS I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Diffraction software gets global refinement Aug 2016
Science Highlight I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Structure of RNA polymerase in complex with the major variant sigma factor Aug 2016
Diamond Annual Review Highlight I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Insights into Parkinson's disease from crystal structures of Parkin Aug 2016
Diamond Annual Review Highlight I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut Open Biology, 6 Jul 2016 DOI: 10.1098/rsob.160142
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural elucidation of a novel mechanism for the bacteriophage-based inhibition of the RNA degradosome Elife, 5 Jul 2016 DOI: 10.7554/eLife.16413
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site Proceedings Of The National Academy Of Sciences, 113 Jul 2016 DOI: 10.1073/pnas.1600630113
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structure and function analysis of an antibody recognizing all influenza A subtypes Cell, 166 Jul 2016 DOI: 10.1016/j.cell.2016.05.073
Controlling the dissociation of ligands from the adenosine A2A receptor through modulation of salt bridge strength Journal Of Medicinal Chemistry, 59 Jul 2016 DOI: 10.1021/acs.jmedchem.6b00653
Structural basis of host Autophagy-related protein 8 (ATG8) binding by the Irish potato famine pathogen effector protein PexRD54 Journal Of Biological Chemistry, Jul 2016 DOI: 10.1074/jbc.M116.744995
Journal Paper B21-High Throughput SAXS I02-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Structural insights into Arl1-mediated targeting of the Arf-GEF BIG1 to the trans-Golgi Cell Reports, 16 Jul 2016 DOI: 10.1016/j.celrep.2016.06.022
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Specific inhibition of CK2α from an anchor outside the active site Chemical Science, Jul 2016 DOI: 10.1039/C6SC02335E
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity Nature Communications, 7 Jul 2016 DOI: 10.1038/ncomms12116
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structure and activation of pro-activin A Nature Communications, 7 Jul 2016 DOI: 10.1038/ncomms12052
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structures of gate loop variants of the AcrB drug efflux pump bound by erythromycin substrate Plos One, 11 Jul 2016 DOI: 10.1371/journal.pone.0159154
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Cell cycle regulation and novel structural features of thymidine kinase, an essential enzyme in Trypanosoma brucei Molecular Microbiology, Jul 2016 DOI: 10.1111/mmi.13467
Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal Iucrj, 3 Jul 2016 DOI: 10.1107/S205225251600823X
Structural and functional analysis of cell wall-anchored polypeptide adhesin BspA in Streptococcus agalactiae Journal Of Biological Chemistry, 291 Jul 2016 DOI: 10.1074/jbc.M116.726562
Structural basis for integration of GluD receptors within synaptic organizer complexes Science, 353 Jul 2016 DOI: 10.1126/science.aae0104
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
The molecular basis for ubiquitin and ubiquitin-like specificities in bacterial effector proteases Molecular Cell, 63 Jul 2016 DOI: 10.1016/j.molcel.2016.06.015
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Installing hydrolytic activity into a completely de novo protein framework Nature Chemistry, 8 Jul 2016 DOI: 10.1038/nchem.2555
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
The histone chaperone Vps75 forms multiple oligomeric assemblies capable of mediating exchange between histone H3–H4 tetramers and Asf1–H3–H4 complexes Nucleic Acids Research, 44 Jul 2016 DOI: 10.1093/nar/gkw209
Analysis of two Schistosoma mansoni Uridine Phosphorylases isoforms suggests the emergence of a protein with a non-canonical function Biochimie, 125 June 2016 DOI: 10.1016/j.biochi.2016.02.007
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Extending the half-life of a fab fragment through generation of a humanized anti-human serum albumin fv domain: An investigation into the correlation between affinity and serum half-life Mabs, June 2016 DOI: 10.1080/19420862.2016.1185581
Phosphorylation of leukotriene C4 synthase at serine 36 impairs catalytic activity Journal Of Biological Chemistry, June 2016 DOI: 10.1074/jbc.M116.735647
Molecular basis for functional switching of GFP by two disparate non-native post-translational modifications of a phenyl azide reaction handle Chemical Science, June 2016 DOI: 10.1039/C6SC00944A
Novel p38α MAP kinase inhibitors identified from yoctoReactor DNA-encoded small molecule library Medchemcomm, 7 June 2016 DOI: 10.1039/C6MD00241B
EssC: domain structures inform on the elusive translocation channel in the Type VII secretion system Biochemical Journal, 473 June 2016 DOI: 10.1042/BCJ20160257
Harnessing fluorine-sulfur contacts and multipolar interactions for the design of p53 mutant Y220C rescue drugs Acs Chemical Biology, June 2016 DOI: 10.1021/acschembio.6b00315
Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition Proceedings Of The National Academy Of Sciences, 113 June 2016 DOI: 10.1073/pnas.1601558113
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Cross-class metallo-β-lactamase inhibition by bisthiazolidines reveals multiple binding modes Proceedings Of The National Academy Of Sciences, 113 June 2016 DOI: 10.1073/pnas.1601368113
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Pre-40S ribosome biogenesis factor Tsr1 is an inactive structural mimic of translational GTPases Nature Communications, 7 June 2016 DOI: 10.1038/ncomms11789
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Structure of a phleboviral envelope glycoprotein reveals a consolidated model of membrane fusion Proceedings Of The National Academy Of Sciences, 113 June 2016 DOI: 10.1073/pnas.1603827113
Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2 Biochemical Journal, 473 June 2016 DOI: 10.1042/BCJ20160180
A critical base pair in k-turns determines the conformational class adopted, and correlates with biological function Nucleic Acids Research, 44 June 2016 DOI: 10.1093/nar/gkw201
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Hydrogen activation by [NiFe]-hydrogenases Biochemical Society Transactions, 44 June 2016 DOI: 10.1042/BST20160031
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Structural and functional analysis of the solute-binding protein UspC from Mycobacterium tuberculosis that is specific for amino sugars Open Biology, 6 June 2016 DOI: 10.1098/rsob.160105
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structure-based design of tetrahydroisoquinoline-7-carboxamides as selective discoidin domain receptor 1 (DDR1) inhibitors Journal Of Medicinal Chemistry, May 2016 DOI: 10.1021/acs.jmedchem.6b00140
RRM domain of human RBM7: purification, crystallization and structure determination Acta Crystallographica Section F Structural Biology Communications, 72 May 2016 DOI: 10.1107/S2053230X16006129
Journal Paper I04-Macromolecular Crystallography
Functional evolution of IGF2:IGF2R domain 11 binding generates novel structural interactions and a specific IGF2 antagonist Proceedings Of The National Academy Of Sciences, 113 May 2016 DOI: 10.1073/pnas.1513023113
Journal Paper I04-Macromolecular Crystallography
Stereoselectivity and structural characterization of an imine reductase (IRED) from Amycolatopsis orientalis Acs Catalysis, May 2016 DOI: 10.1021/acscatal.6b00782
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Structure of astrotactin-2: a conserved vertebrate-specific and perforin-like membrane protein involved in neuronal development Open Biology, 6 May 2016 DOI: 10.1098/rsob.160053
Journal Paper B21-High Throughput SAXS I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
A molecular-level account of the antigenic hantaviral surface Cell Reports, 15 May 2016 DOI: 10.1016/j.celrep.2016.03.082
Glycomimetics targeting glycosyltransferases: synthetic, computational and structural studies of less-polar conjugates Chemistry - A European Journal, 22 May 2016 DOI: 10.1002/chem.201600467
Journal Paper I04-Macromolecular Crystallography
Structural analysis of human KDM5B guides histone demethylase inhibitor development Nature Chemical Biology, May 2016 DOI: 10.1038/nchembio.2087
Journal Paper B21-High Throughput SAXS I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Functional role of TRIM E3 ligase oligomerization and regulation of catalytic activity The Embo Journal, 35 May 2016 DOI: 10.15252/embj.201593741
Detection of active mammalian GH31 α-glucosidases in health and disease using in-class, broad-spectrum activity-based probes Acs Central Science, 2 May 2016 DOI: 10.1021/acscentsci.6b00057
Extra-helical binding site of a glucagon receptor antagonist Nature, 533 May 2016 DOI: 10.1038/nature17414
Journal Paper I04-Macromolecular Crystallography
Structural investigation of the STAR protein Sam68 May 2016
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Transcriptional triumphs May 2016
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Binding of Gd 3+ to the neuronal signalling protein calexcitin identifies an exchangeable Ca 2+ -binding site Acta Crystallographica Section F Structural Biology Communications, 72 (4) Apr 2016 DOI: 10.1107/S2053230X16003526
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Proximal ADP-ribose hydrolysis in trypanosomatids is catalyzed by a macrodomain Scientific Reports, 6 Apr 2016 DOI: 10.1038/srep24213
Structure of a quinolone-stabilized cleavage complex of topoisomerase IV from Klebsiella pneumoniae and comparison with a related Streptococcus pneumoniae complex Acta Crystallographica Section D Structural Biology, 72 Apr 2016 DOI: 10.1107/S2059798316001212
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Diffraction-geometry refinement in the DIALS framework Acta Crystallographica Section D Structural Biology, 72 (4) Apr 2016 DOI: 10.1107/S2059798316002187
Structure of Gremlin-1 and analysis of its interaction with BMP-2 Biochemical Journal, Apr 2016 DOI: 10.1042/BCJ20160254
Structural comparison of yeast and human intra-mitochondrial lipid transport systems Biochemical Society Transactions, 44 Apr 2016 DOI: 10.1042/BST20150264
Conformational diversity and enantioconvergence in potato epoxide hydrolase 1 Organic & Biomolecular Chemistry, Apr 2016 DOI: 10.1039/C6OB00060F
Rapid discovery of pyrido[3,4- d ]pyrimidine inhibitors of monopolar spindle kinase 1 (MPS1) using a structure-based hybridization approach Journal Of Medicinal Chemistry, Apr 2016 DOI: 10.1021/acs.jmedchem.5b01811
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Glyceraldehyde-3-phosphate dehydrogenase and fructose-1, 6-bisphosphatase of the enteric pathogens C. jejuni and H. pylori Apr 2016
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Structural basis for Mep2 ammonium transceptor activation by phosphorylation Nature Communications, 7 Apr 2016 DOI: 10.1038/ncomms11337
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Structure of eukaryotic purine/H+ symporter UapA suggests a role for homodimerization in transport activity Nature Communications, 7 Apr 2016 DOI: 10.1038/ncomms11336
Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM4− siderophore analogues of varied linker length Scientific Reports, 7 Apr 2016 DOI: 10.1038/srep45941
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A novel DFP tripeptide motif interacts with the coagulation factor XI apple 2 domain Blood, 127 Mar 2016 DOI: 10.1182/blood-2015-10-676122
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Crystal structure of a complex of Surfactant Protein D and Haemophilus influenzae lipopolysaccharide reveals shielding of core structures in SP-D resistant strains Infection And Immunity, Mar 2016 DOI: 10.1128/IAI.01239-15
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Fragment-based approaches to the development of Mycobacterium tuberculosis CYP121 inhibitors Journal Of Medicinal Chemistry, Mar 2016 DOI: 10.1021/acs.jmedchem.6b00007
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Re-refinement of 4xan: hen egg-white lysozyme with carboplatin in sodium bromide solution Acta Crystallographica Section F Structural Biology Communications, 72 (3) Mar 2016 DOI: 10.1107/S2053230X16000777
Structure-activity relationship of the peptide binding-motif mediating the BRCA2:RAD51 protein–protein interaction Febs Letters, Mar 2016 DOI: 10.1002/1873-3468.12139
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Structurally diverse mitochondrial branched chain aminotransferase (BCATm) leads with varying binding modes identified by fragment screening Journal Of Medicinal Chemistry, 59 Mar 2016 DOI: 10.1021/acs.jmedchem.5b01607
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Functional and structural characterization of a potent GH74 endo -xyloglucanase from the soil saprophyte Cellvibrio japonicus unravels the first step of xyloglucan degradation Febs Journal, Mar 2016 DOI: 10.1111/febs.13696
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Substituted 2-(2-aminopyrimidin-4-yl)pyridine-4-carboxylates as potent inhibitors of JumonjiC domain-containing histone demethylases Future Medicinal Chemistry, Mar 2016 DOI: 10.4155/fmc.15.188
YihQ is a sulfoquinovosidase that cleaves sulfoquinovosyl diacylglyceride sulfolipids Nature Chemical Biology, 12 Mar 2016 DOI: 10.1038/nchembio.2023
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Structural studies of the recognition of bacterial lipopolysaccharides by human surfactant protein-D Mar 2016
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ATP half-sites in RadA and RAD51 recombinases bind nucleotides Febs Open Bio, Mar 2016 DOI: 10.1002/2211-5463.12052
Landscape of activating cancer mutations in FGFR kinases and their differential responses to inhibitors in clinical use Oncotarget, Mar 2016 DOI: 10.18632/oncotarget.8132
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World's first dual topology channel Mar 2016
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Crystal structures reveal the molecular basis of ion translocation in sodium/proton antiporters Nature Structural & Molecular Biology, Feb 2016 DOI: 10.1038/nsmb.3164
Tryptophan oxidation by the heme-containing dioxygenases Feb 2016
Thesis I04-Macromolecular Crystallography
Structural insights into outer membrane permeability of Acinetobacter baumannii Structure, 24 (2) Feb 2016 DOI: 10.1016/j.str.2015.12.009
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Family-wide structural analysis of human numb- associated protein kinases Structure, Feb 2016 DOI: 10.1016/j.str.2015.12.015
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Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB Bioorganic & Medicinal Chemistry Letters, 26 (4) Feb 2016 DOI: 10.1016/j.bmcl.2016.01.009
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Discovery of pyrazolopyridones as a novel class of gyrase B inhibitors using structure guided design Acs Medicinal Chemistry Letters, Feb 2016 DOI: 10.1021/acsmedchemlett.5b00368
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Structure of glycosylated NPC1 luminal domain C reveals insights into NPC2 and Ebola virus interactions Febs Letters, 590 (5) Feb 2016 DOI: 10.1002/1873-3468.12089
HIV-1 integrase strand transfer inhibitors with reduced susceptibility to drug resistant mutant integrases Acs Chemical Biology, 11 Feb 2016 DOI: 10.1021/acschembio.5b00948
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Molecular basis of ion permeability in a voltage-gated sodium channel The Embo Journal, 35 (4) Feb 2016 DOI: 10.15252/embj.201593285
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Nucleocapsid assembly in pneumoviruses is regulated by conformational switching of the N protein Elife, 5 Feb 2016 DOI: 10.7554/eLife.12627
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Centromere localization and function of Mis18 requires Yippee-like domain-mediated oligomerization Embo Reports, 17 (3) Feb 2016 DOI: 10.15252/embr.201541520
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Comparison of verona integron-borne metallo-β-lactamase (VIM) variants reveals differences in stability and inhibition profiles Antimicrobial Agents And Chemotherapy, 60 (3) Feb 2016 DOI: 10.1128/AAC.01768-15
Structures of two melanoma-associated antigens suggest allosteric regulation of effector binding Plos One, 11 Feb 2016 DOI: 10.1371/journal.pone.0148762
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Insight into Coenzyme A cofactor binding and the mechanism of acyl-transfer in an acylating aldehyde dehydrogenase from Clostridium phytofermentans Scientific Reports, 6 Feb 2016 DOI: 10.1038/srep22108
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THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria Nature Microbiology, 1 Feb 2016 DOI: 10.1038/nmicrobiol.2015.6
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Cholesteryl esters stabilize human CD1c conformations for recognition by self-reactive T cells Proceedings Of The National Academy Of Sciences, 113 (9) Feb 2016 DOI: 10.1073/pnas.1519246113
Assembly of methylated KDM1A and CHD1 drives androgen receptor–dependent transcription and translocation Nature Structural & Molecular Biology, 23 Jan 2016 DOI: 10.1038/nsmb.3153
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A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters Organic & Biomolecular Chemistry, 14 Jan 2016 DOI: 10.1039/C5OB02630J
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Structure of AmtR, the global nitrogen regulator of Corynebacterium glutamicum, in free and DNA-bound forms Febs Journal, 6 Jan 2016 DOI: 10.1111/febs.13643
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Structural basis of RNA recognition and dimerization by the STAR proteins T-STAR and Sam68 Nature Communications, 7 Jan 2016 DOI: 10.1038/ncomms10355
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Chemoenzymatic synthesis of 6-phospho-cyclophellitol as a novel probe of 6-phospho-β-glucosidases Febs Letters, Jan 2016 DOI: 10.1002/1873-3468.12059
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Effects of active-site modification and quaternary structure on the regioselectivity of catechol-o-methyltransferase Angewandte Chemie International Edition, Jan 2016 DOI: 10.1002/anie.201508287
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8-substituted pyrido[3,4-d]pyrimidin-4(3H)-one derivatives as potent, cell permeable, KDM4 (JMJD2) and KDM5 (JARID1) histone lysine demethylase inhibitors Journal Of Medicinal Chemistry, 55 (1) Jan 2016 DOI: 10.1021/acs.jmedchem.5b01635
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Structures of the DfsB protein family suggest a cationic, helical sibling lethal factor peptide Journal Of Molecular Biology, Jan 2016 DOI: 10.1016/j.jmb.2016.01.013
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural insights into polymorphic abo glycan binding by Helicobacter pylori Cell Host & Microbe, 19 Jan 2016 DOI: 10.1016/j.chom.2015.12.004
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Structures of replication initiation proteins from staphylococcal antibiotic resistance plasmids reveal protein asymmetry and flexibility are necessary for replication Nucleic Acids Research, 44 Jan 2016 DOI: 10.1093/nar/gkv1539
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Potent, selective, and CNS-penetrant tetrasubstituted cyclopropane class IIa histone deacetylase (HDAC) inhibitors Acs Medicinal Chemistry Letters, 7 (1) Jan 2016 DOI: 10.1021/acsmedchemlett.5b00302
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Structural basis of substrate specificity in porcine RNase 4 Febs Journal, Jan 2016 DOI: 10.1111/febs.13646
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Structural insights into the quadruplex–duplex 3′ interface formed from a telomeric repeat: a potential molecular target Journal Of The American Chemical Society, 138 (4) Jan 2016 DOI: 10.1021/jacs.5b10492
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
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- Pavel Savitsky, Tobias Krojer, Takao Fujisawa, Jean-Philippe Lambert, Sarah Picaud, Chen-Yi Wang, Erin K. Shanle, Krzysztof Krajewski, Hans Friedrichsen, Alexander Kanapin, Colin Goding, Matthieu Schapira, Anastasia Samsonova, Brian D. Strahl, Anne-Claude Gingras, Panagis Filippakopoulos, "Multivalent histone and DNA engagement by a PHD/BRD/PWWP triple reader cassette recruits ZMYND8 to k14ac-rich chromatin", Cell Reports, 17, 2724 - 2737 (2016), DOI: 10.1016/j.celrep.2016.11.014
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- Juliana Roberta Torini, Jose Brandao-Neto, Ricardo Demarco, Humberto D' Muniz Pereira, "Crystal structure of Schistosoma mansoni adenosine phosphorylase/5’-methylthioadenosine phosphorylase and its importance on adenosine salvage pathway", Plos Neglected Tropical Diseases, 10 (2016), DOI: 10.1371/journal.pntd.0005178
- Ann-Gerd Thorsell, Torun Ekblad, Tobias Karlberg, Mirjam Löw, Ana Filipa Pinto, Lionel Trésaugues, Martin Moche, Michael S. Cohen, Herwig Schüler, "Structural basis for potency and promiscuity in poly(ADP-ribose) polymerase (PARP) and tankyrase inhibitors", Journal Of Medicinal Chemistry (2016), DOI: 10.1021/acs.jmedchem.6b00990
- Stuart Jones, Jonathan Ahmet, Kelly Ayton, Matthew Ball, Mark Cockerill, Emma Fairweather, Nicola Hamilton, Paul Harper, James Hitchin, Allan Jordan, Colin Levy, Ruth Lopez, Eddie Mckenzie, Martin Packer, Darren Plant, Iain Simpson, Peter Simpson, Ian Sinclair, Tim C. P. Somervaille, Helen Small, Gary J. Spencer, Graeme Thomson, Michael Tonge, Ian Waddell, Jarrod Walsh, Bohdan Waszkowycz, Mark Wigglesworth, Daniel H. Wiseman, Donald Ogilvie, "Discovery and optimization of allosteric inhibitors of mutant isocitrate dehydrogenase 1 (R132H IDH1) displaying activity in human acute myeloid leukemia cells", Journal Of Medicinal Chemistry (2016), DOI: 10.1021/acs.jmedchem.6b01320
- Arun Goyal, Shadab Ahmed, Kedar Sharma, Vikas Gupta, Pedro Bule, Victor D. Alves, Carlos M. G. A. Fontes, Shabir Najmudin, "Molecular determinants of substrate specificity revealed by the structure of Clostridium thermocellum arabinofuranosidase 43A from glycosyl hydrolase family 43 subfamily 16", Acta Crystallographica Section D Structural Biology, 72, 1281 - 1289 (2016), DOI: 10.1107/S205979831601737X
- Dhaval Varshney, Alain-Pierre Petit, Juan A. Bueren-Calabuig, Chimed Jansen, Dan A. Fletcher, Mark Peggie, Simone Weidlich, Paul Scullion, Andrei V. Pisliakov, Victoria H. Cowling, "Molecular basis of RNA guanine-7 methyltransferase (RNMT) activation by RAM", Nucleic Acids Research, 44, 10423 - 10436 (2016), DOI: 10.1093/nar/gkw637
- Tove Sjögren, Carola M. Wassvik, Arjan Snijder, Anna Aagaard, Taichi Kumanomidou, Louise Barlind, Tim Patrick Kaminski, Akiko Kashima, Takehiro Yokota, Ola Fjellström, "The structure of murine APAO reveals molecular detail of vertebrate polyamine catabolism", Biochemistry (2016), DOI: 10.1021/acs.biochem.6b01140
- Vijaykumar Karuppiah, Angela Thistlethwaite, Jeremy P. Derrick, "Structures of type IV pilins from Thermus thermophilus demonstrate similarities with type II secretion system pseudopilins", Journal Of Structural Biology, 196, 375 – 384 (2016), DOI: 10.1016/j.jsb.2016.08.006
- William Mccoull, Edward J. Hennessy, Kevin Blades, Claudio Chuaqui, James E. Dowling, Andrew D. Ferguson, Frederick W. Goldberg, Nicholas Howe, Christopher R. Jones, Paul D. Kemmitt, Gillian Lamont, Jeffrey G. Varnes, Richard A. Ward, Bin Yang, "Optimization of highly kinase selective Bis-anilino pyrimidine PAK1 inhibitors", Acs Medicinal Chemistry Letters, 7, 1118 - 1123 (2016), DOI: 10.1021/acsmedchemlett.6b00322
- Yana K. Rennie, Patrick Mcintyre, Tito Akindele, Richard Bayliss, Andrew G. Jamieson, "A TPX2 proteomimetic has enhanced affinity for aurora-a due to hydrocarbon stapling of a helix", Acs Chemical Biology, 11, 3383 - 3390 (2016), DOI: 10.1021/acschembio.6b00727
- Sarah Hollingshead, Sophie Bliss, Patrick J. Baker, C. Neil Hunter, "Conserved residues in Ycf54 are required for protochlorophyllide formation in Synechocystis sp. PCC 6803", Biochemical Journal (2016), DOI: 10.1042/BCJ20161002
- Guo-Bo Li, Martine I. Abboud, Jurgen Brem, Hidenori Someya, Christopher T. Lohans, Sheng-Yong Yang, James Spencer, David W. Wareham, Michael A. Mcdonough, Christopher J. Schofield, "NMR-filtered virtual screening leads to non-metal chelating metallo-β-lactamase inhibitors", Chemical Science, 8, 928 - 937 (2016), DOI: 10.1039/C6SC04524C
- Geoffrey Masuyer, Gyles E. Cozier, Glenna J. Kramer, Brian O. Bachmann, Ravi Acharya, "Crystal structure of a peptidyl-dipeptidase K-26-DCP from Actinomycete in complex with its natural inhibitor", The Febs Journal (2016), DOI: 10.1111/febs.13928
- Hanna Kwon, Jaswir Basran, Cecilia M. Casadei, Alistair J. Fielding, Tobias E. Schrader, Andreas Ostermann, Juliette M. Devos, Pierre Aller, Matthew P. Blakeley, P. C. E. Moody, Emma L. Raven, "Direct visualization of a Fe(IV)–OH intermediate in a heme enzyme", Nature Communications, 7 (2016), DOI: 10.1038/ncomms13445
- Célia V. Romão, João B. Vicente, Patricia Borges, Bruno L. Victor, Pedro Lamosa, Elísio Silva, Luís Pereira, Tiago M. Bandeiras, Cláudio M. Soares, Maria A. Carrondo, David Turner, Miguel Teixeira, Carlos Frazao, "Structure of Escherichia coli flavodiiron nitric oxide reductase", Journal Of Molecular Biology, 428, 4686 - 4707 (2016), DOI: 10.1016/j.jmb.2016.10.008
- Thierry Izore, Danguole Kureisaite-Ciziene, Stephen H Mclaughlin, Jan Lowe, "Crenactin forms actin-like double helical filaments regulated by arcadin-2", Elife, 5 (2016), DOI: 10.7554/eLife.21600
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- Jan Lowe, Shaoda He, Sjors H. W. Scheres, Christos G. Savva, "X-ray and cryo-EM structures of monomeric and filamentous actin-like protein MamK reveal changes associated with polymerization", Proceedings Of The National Academy Of Sciences (2016), DOI: 10.1073/pnas.1612034113
- [Thesis] Martin Schafer, "Functional and structural analysis of the angucyclinone ketoreductase SimC7" (2016)
- Tamas Yelland, Snezana Djordjevic, "Crystal structure of the neuropilin-1 MAM domain: completing the neuropilin-1 ectodomain picture", Structure, 24, 2008 - 2015 (2016), DOI: 10.1016/j.str.2016.08.017
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- Pedro Bule, Victor Diogo Alves, André Leitão, Luis M. A. Ferreira, Edward A. Bayer, Steven P. Smith, Harry J Gilbert, Shabir Najmudin, Carlos M. G. A. Fontes, "Single-binding mode integration of hemicellulose degrading enzymes via adaptor scaffoldins in Ruminococcus flavefaciens cellulosome", Journal Of Biological Chemistry (2016), DOI: 10.1074/jbc.M116.761643
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- Rishi G. Vaswani, Victor S. Gehling, Les A. Dakin, Andrew S. Cook, Christopher G. Nasveschuk, Martin Duplessis, Priyadarshini Iyer, Srividya Balasubramanian, Feng Zhao, Andrew C. Good, Robert Campbell, Christina Lee, Nico Cantone, Richard T. Cummings, Emmanuel Normant, Steven F. Bellon, Brian K. Albrecht, Jean-Christophe Harmange, Patrick Trojer, James E. Audia, Ying Zhang, Neil Justin, Shuyang Chen, Jon R. Wilson, Steven J. Gamblin, "Identification of (R)‑N‑((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)‑1H‑indole-3-carboxamide (CPI-1205)Lymphomas...", Journal Of Medicinal Chemistry, 59, 9928 - 9941 (2016), DOI: 10.1021/acs.jmedchem.6b01315
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- Katherine A. Abrahams, Chun-Wa Chung, Sonja Ghidelli-Disse, Joaquín Rullas, María José Rebollo-López, Sudagar S. Gurcha, Jonathan A. G. Cox, Alfonso Mendoza, Elena Jiménez-Navarro, María Santos Martínez-Martínez, Margarete Neu, Anthony Shillings, Paul Homes, Argyrides Argyrou, Ruth Casanueva, Nicholas J. Loman, Patrick J. Moynihan, Joël Lelièvre, Carolyn Selenski, Matthew Axtman, Laurent Kremer, Marcus Bantscheff, Iñigo Angulo-Barturen, Mónica Cacho Izquierdo, Nicholas C. Cammack, Gerard Drewes, Lluis Ballell, David Barros, Gurdyal S. Besra, Robert H. Bates, "Identification of KasA as the cellular target of an anti-tubercular scaffold", Nature Communications, 7 (2016), DOI: 10.1038/ncomms12581
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- [Diamond Annual Review Highlight] Diamond Light Source, "Studying the flexibility of the RNA-dependent RNA polymerase of influenza virus" (2016)
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- [Science Highlight] Diamond Light Source, "World's first dual topology channel" (2016)
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