Instruments by Science Group
Macromolecular
Soft Condensed 
Imaging and
Biological
Magnetic
Structures and
Crystallography 
Spectroscopy I03 Contact
Beamline Phone Number:
+44 (0) 1235 778707
Acting Principal Beamline Scientist:
Dave Hall
Tel: +44 (0) 1235 778926
E-mail: [email protected]
Science Group Leader
Dave Hall
Email: [email protected]
Tel: +44 (0) 1235 778926
I03 MX
Status: Operational
Beamsize: 90 µm x 20 µm
Detector: Eiger2 XE 16M
Wavelength: 0.50 - 2.07 Å
Energy: 6 - 25 keV
Detector: Eiger2 XE 16M
Wavelength: 0.50 - 2.07 Å
Energy: 6 - 25 keV
These publications are based on data gathered on beamline I03. If you are aware of any errors or publications that should be listed here, please send details to [email protected].
162 items found for 2016 [total: 2353]
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
Structural basis for regulation and specificity of fructooligosaccharide import in Streptococcus pneumoniae Structure, Dec 2016 DOI: 10.1016/j.str.2016.11.008
Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Purification, crystallization and characterization of the Pseudomonas outer membrane protein FapF, a functional amyloid transporter Acta Crystallographica Section F Structural Biology Communications, 72 Dec 2016 DOI: 10.1107/S2053230X16017921
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
Metallocofactor assembly for [FeFe]-hydrogenases Current Opinion In Structural Biology, 41 Dec 2016 DOI: 10.1016/j.sbi.2016.06.004
Journal Paper I03-Macromolecular Crystallography
The Streptococcus gordonii adhesin CshA binds host fibronectin via a catch-clamp mechanism Journal Of Biological Chemistry, Dec 2016 DOI: 10.1074/jbc.M116.760975
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I22-Small angle scattering & Diffraction 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
Structural mechanism for cargo recognition by the retromer complex Cell, 167 Dec 2016 DOI: 10.1016/j.cell.2016.10.056
Journal Paper B21-High Throughput SAXS I02-Macromolecular Crystallography I03-Macromolecular Crystallography
Structural basis of the mispairing of an artificially expanded genetic information system Chem, 1 Dec 2016 DOI: 10.1016/j.chempr.2016.11.009
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Room temperature structure of human IgG4-Fc from crystals analysed in situ Molecular Immunology, 81 Dec 2016 DOI: 10.1016/j.molimm.2016.11.021
Structural characterisation reveals mechanism of IL-13-neutralising monoclonal antibody tralokinumab as inhibition of binding to IL-13rα1 and IL-13rα2 Journal Of Molecular Biology, Dec 2016 DOI: 10.1016/j.jmb.2016.12.005
The mechanism of a formaldehyde-sensing transcriptional regulator Scientific Reports, 6 Dec 2016 DOI: 10.1038/srep38879
Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands Febs Open Bio, Dec 2016 DOI: 10.1002/2211-5463.12168
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Mechanism of structural tuning of the hepatitis C virus human cellular receptor CD81 large extracellular loop Structure, Dec 2016 DOI: 10.1016/j.str.2016.11.003
Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD Bmc Biology, 14 Dec 2016 DOI: 10.1186/s12915-016-0300-3
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Discovery of new bromodomain scaffolds by biosensor fragment screening Acs Medicinal Chemistry Letters, 7 Dec 2016 DOI: 10.1021/acsmedchemlett.6b00154
Journal Paper I03-Macromolecular Crystallography
Structure of the polycystic kidney disease TRP channel Polycystin-2 (PC2) Nature Structural & Molecular Biology, 24 Dec 2016 DOI: 10.1038/nsmb.3343
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Structure-based design of tricyclic NF-κB inducing kinase (NIK) inhibitors that have high selectivity over phosphoinositide-3-kinase (PI3K) Journal Of Medicinal Chemistry, Dec 2016 DOI: 10.1021/acs.jmedchem.6b01363
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
NMR-filtered virtual screening leads to non-metal chelating metallo-β-lactamase inhibitors Chemical Science, 8 Dec 2016 DOI: 10.1039/C6SC04524C
Structural and functional characterization of a ruminal β-glycosidase defines a novel subfamily of glycoside hydrolase family 3 with permuted domain topology Journal Of Biological Chemistry, 291 Nov 2016 DOI: 10.1074/jbc.M116.747527
Functional and structural analysis of the angucyclinone ketoreductase SimC7 Nov 2016
Thesis I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
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
Selective JAK3 inhibitors with a covalent reversible binding mode targeting a new induced fit binding pocket Cell Chemical Biology, 23 Nov 2016 DOI: 10.1016/j.chembiol.2016.10.008
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
Structural basis for selective interaction between the ESCRT regulator HD-PTP and UBAP1 Structure, Nov 2016 DOI: 10.1016/j.str.2016.10.006
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 of Aichi virus 1 and its empty particle: clues to Kobuvirus genome release mechanism Journal Of Virology, 90 Nov 2016 DOI: 10.1128/JVI.01601-16
Structure-guided design of purine-based probes for selective Nek2 inhibition Oncotarget, Nov 2016 DOI: 10.18632/oncotarget.13249
Structural basis of N-Myc binding by Aurora-A and its destabilization by kinase inhibitors Proceedings Of The National Academy Of Sciences, 113 Nov 2016 DOI: 10.1073/pnas.1610626113
Antibody-antigen kinetics constrain intracellular humoral immunity Scientific Reports, 6 Nov 2016 DOI: 10.1038/srep37457
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
Virtual screening and X-ray crystallography identify non-substrate analog inhibitors of flavin-dependent thymidylate synthase Journal Of Medicinal Chemistry, 59 Oct 2016 DOI: 10.1021/acs.jmedchem.6b00977
Journal Paper I03-Macromolecular Crystallography
Discovery and optimization of a selective ligand for the switch/sucrose nonfermenting-related bromodomains of polybromo protein-1 by the use of virtual screening and hydration analysis Journal Of Medicinal Chemistry, 59 Oct 2016 DOI: 10.1021/acs.jmedchem.6b00355
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
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
Characterisation of homologous sphingosine 1-phosphate lyase (S1PL) isoforms in the bacterial pathogen Burkholderia pseudomallei Journal Of Lipid Research, Oct 2016 DOI: 10.1194/jlr.M071258
Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne Nature, 538 Oct 2016 DOI: 10.1038/nature19836
The Salmonella effector SpvD is a cysteine hydrolase with a serovar-specific polymorphism influencing catalytic activity, suppression of immune responses, and bacterial virulence Journal Of Biological Chemistry, Oct 2016 DOI: 10.1074/jbc.M116.752782
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Structural and calorimetric studies demonstrate that the hepatocyte nuclear factor 1β (HNF1β) transcription factor is imported into the nucleus via a monopartite NLS sequence Journal Of Structural Biology, 195 Sept 2016 DOI: 10.1016/j.jsb.2016.06.018
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
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
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
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
2-Sulfonylpyrimidines: Mild alkylating agents with anticancer activity toward p53-compromised cells Proceedings Of The National Academy Of Sciences, 113 Sept 2016 DOI: 10.1073/pnas.1610421113
The effectors and sensory sites of formaldehyde-responsive regulator FrmR and metal-sensing variant Journal Of Biological Chemistry, 291 Sept 2016 DOI: 10.1074/jbc.M116.745174
Trans-binding mechanism of ubiquitin-like protein activation revealed by a UBA5-UFM1 complex Cell Reports, 16 Sept 2016 DOI: 10.1016/j.celrep.2016.08.067
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
Tankyrase requires SAM domain-dependent polymerization to support Wnt-β-catenin signaling Molecular Cell, 63 Aug 2016 DOI: 10.1016/j.molcel.2016.06.019
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
Structural insights into cardiolipin transfer from the Inner membrane to the outer membrane by PbgA in Gram-negative bacteria Scientific Reports, 6 Aug 2016 DOI: 10.1038/srep30815
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structure of a potential therapeutic antibody bound to interleukin-16 (IL-16) Journal Of Biological Chemistry, 291 Aug 2016 DOI: 10.1074/jbc.M115.709303
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
Structure and genome release mechanism of the Human Cardiovirus Saffold Virus 3 Journal Of Virology, 90 Aug 2016 DOI: 10.1128/JVI.00746-16
Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co–crystal structure European Journal Of Medicinal Chemistry, 118 Aug 2016 DOI: 10.1016/j.ejmech.2016.04.004
Journal Paper I03-Macromolecular Crystallography
Covalent targeting of remote cysteine residues to develop CDK12 and CDK13 inhibitors Nature Chemical Biology, 12 Aug 2016 DOI: 10.1038/nchembio.2166
Journal Paper I03-Macromolecular Crystallography
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
Structure-activity relationships of 2-arylquinazolin-4-ones as highly selective and potent inhibitors of the tankyrases European Journal Of Medicinal Chemistry, 118 Aug 2016 DOI: 10.1016/j.ejmech.2016.04.041
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
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
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
Toremifene interacts with and destabilizes the Ebola virus glycoprotein Nature, 535 Jul 2016 DOI: 10.1038/nature18615
The active site architecture in peroxiredoxins: a case study on Mycobacterium tuberculosis AhpE Chemical Communications, 52 Jul 2016 DOI: 10.1039/C6CC02645A
Journal Paper I03-Macromolecular Crystallography
Oxaliplatin binding to human copper chaperone Atox1 and protein dimerization Inorganic Chemistry, 55 Jul 2016 DOI: 10.1021/acs.inorgchem.6b00750
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
Crystallographic analysis of the laminin β2 short arm reveals how the LF domain is inserted into a regular array of LE domains Matrix Biology, Jul 2016 DOI: 10.1016/j.matbio.2016.06.006
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) 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
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
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
LD motif recognition by Talin: structure of the Talin-DLC1 complex Structure, 24 Jul 2016 DOI: 10.1016/j.str.2016.04.016
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
Autophagy receptor for endoplasmic reticulum turnover Jul 2016
Diamond Annual Review Highlight I03-Macromolecular Crystallography
Crystal structures of two monomeric triosephosphate isomerase variants identified via a directed-evolution protocol selecting for L -arabinose isomerase activity Acta Crystallographica Section F Structural Biology Communications, 72 June 2016 DOI: 10.1107/S2053230X16007548
Journal Paper I03-Macromolecular Crystallography
Heterogeneity in the histidine-brace copper coordination sphere in auxiliary activity family 10 (AA10) lytic polysaccharide monooxygenases Journal Of Biological Chemistry, 291 June 2016 DOI: 10.1074/jbc.M116.722447
Room-temperature macromolecular crystallography using a micro-patterned silicon chip with minimal background scattering Journal Of Applied Crystallography, 49 June 2016 DOI: 10.1107/S1600576716006348
Journal Paper I03-Macromolecular Crystallography
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
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
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
Direct observation of DNA threading in flap endonuclease complexes Nature Structural & Molecular Biology, 23 June 2016 DOI: 10.1038/nsmb.3241
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2 Scientific Reports, 6 June 2016 DOI: 10.1038/srep28528
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
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
The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-n-(5-fluoro-1h-indazol-3-yl)quinolin-4-amine (gsk583), a highly potent and selective inhibitor of RIP2 kinase Journal Of Medicinal Chemistry, May 2016 DOI: 10.1021/acs.jmedchem.6b00211
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
Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity Journal Of Clinical Investigation, 126 May 2016 DOI: 10.1172/JCI85679
Journal Paper B23-Circular Dichroism I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Identification and development of 2,3-dihydropyrrolo[1,2-a]quinazolin-5(1h)-one inhibitors targeting bromodomains within the switch/sucrose nonfermenting complex Journal Of Medicinal Chemistry, 59 May 2016 DOI: 10.1021/acs.jmedchem.5b01997
A molecular-level account of the antigenic hantaviral surface Cell Reports, 15 May 2016 DOI: 10.1016/j.celrep.2016.03.082
Structural characterization of CYP144A1 – a cytochrome P450 enzyme expressed from alternative transcripts in Mycobacterium tuberculosis Scientific Reports, 6 May 2016 DOI: 10.1038/srep26628
Structural and biochemical characterisation of Archaeoglobus fulgidus esterase reveals a bound CoA molecule in the vicinity of the active site Scientific Reports, 6 May 2016 DOI: 10.1038/srep25542
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
Structural investigation of the STAR protein Sam68 May 2016
Thesis I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Transcriptional triumphs May 2016
Science Highlight I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Proximal ADP-ribose hydrolysis in trypanosomatids is catalyzed by a macrodomain Scientific Reports, 6 Apr 2016 DOI: 10.1038/srep24213
Structural basis for ligand-dependent dimerization of phenylalanine hydroxylase regulatory domain Scientific Reports, 6 Apr 2016 DOI: 10.1038/srep23748
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
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Exploring the divalent effect in fucosidase inhibition with stereoisomeric pyrrolidine dimers Organic & Biomolecular Chemistry, 14 Apr 2016 DOI: 10.1039/C6OB00647G
Journal Paper I03-Macromolecular Crystallography
Diffraction-geometry refinement in the DIALS framework Acta Crystallographica Section D Structural Biology, 72 (4) Apr 2016 DOI: 10.1107/S2059798316002187
Structural studies of neuropilin-2 reveal a zinc ion binding site remote from the vascular endothelial growth factor binding pocke Febs Journal, Apr 2016 DOI: 10.1111/febs.13711
Evolutionary diversification of the trypanosome haptoglobin-haemoglobin receptor from an ancestral haemoglobin receptor Elife, 5 Apr 2016 DOI: 10.7554/eLife.13044
Molecular and cellular basis of T-cell responses to melanoma antigens Apr 2016
Thesis I02-Macromolecular Crystallography I03-Macromolecular Crystallography open access
The discovery of 2-substituted phenol quinazolines as potent RET kinase inhibitors with improved KDR selectivity European Journal Of Medicinal Chemistry, 112 Apr 2016 DOI: 10.1016/j.ejmech.2016.01.039
Structural comparison of yeast and human intra-mitochondrial lipid transport systems Biochemical Society Transactions, 44 Apr 2016 DOI: 10.1042/BST20150264
Glyceraldehyde-3-phosphate dehydrogenase and fructose-1, 6-bisphosphatase of the enteric pathogens C. jejuni and H. pylori Apr 2016
Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Structural basis for Mep2 ammonium transceptor activation by phosphorylation Nature Communications, 7 Apr 2016 DOI: 10.1038/ncomms11337
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
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
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Initiation of T cell signaling by CD45 segregation at 'close contacts' Nature Immunology, Mar 2016 DOI: 10.1038/ni.3392
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Distinct structural pathways coordinate the activation of ampa receptor-auxiliary subunit complexes Neuron, 89 Mar 2016 DOI: 10.1016/j.neuron.2016.01.038
Non-linear and flexible regions of the human Notch1 extracellular domain revealed by high-resolution structural studies Structure, 24 Mar 2016 DOI: 10.1016/j.str.2016.02.010
Structure of Thermobifida fusca DyP-type peroxidase and activity towards Kraft lignin and lignin model compounds Archives Of Biochemistry And Biophysics, 594 Mar 2016 DOI: 10.1016/j.abb.2016.02.019
The use of noncrystallographic symmetry averaging to solve structures from data affected by perfect hemihedral twinning Acta Crystallographica Section F Structural Biology Communications, 72 (3) Mar 2016 DOI: 10.1107/S2053230X16000923
Structural insights into DNA sequence recognition by Type ISP restriction-modification enzymes Nucleic Acids Research, Mar 2016 DOI: 10.1093/nar/gkw154
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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Oligomerization as a strategy for cold adaptation: Structure and dynamics of the GH1 β-glucosidase from Exiguobacterium antarcticum B7 Scientific Reports, 6 Mar 2016 DOI: 10.1038/srep23776
Using selenomethionyl derivatives to assign sequence in low-resolution structures of the AP2 clathrin adaptor Acta Crystallographica Section D Structural Biology, 72 Mar 2016 DOI: 10.1107/S2059798315021580
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Radiation damage and derivatization in macromolecular crystallography: a structure factor's perspective Acta Crystallographica Section D Structural Biology, 72 (3) Mar 2016 DOI: 10.1107/S2059798315021555
Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structure of the human protein kinase ZAK in complex with vemurafenib Acs Chemical Biology, 11 Mar 2016 DOI: 10.1021/acschembio.6b00043
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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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A second-generation ferrocene–iminosugar hybrid with improved fucosidase binding properties Bioorganic & Medicinal Chemistry Letters, 26 Mar 2016 DOI: 10.1016/j.bmcl.2016.02.017
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MTH1 substrate recognition - an example of specific promiscuity Plos One, 11 Mar 2016 DOI: 10.1371/journal.pone.0151154
Crystal structure of the cohesin gatekeeper Pds5 and in complex with Kleisin Scc1 Cell Reports, 14 (9) Mar 2016 DOI: 10.1016/j.celrep.2016.02.020
Structural studies of the recognition of bacterial lipopolysaccharides by human surfactant protein-D Mar 2016
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Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA Nature Communications, 7 Mar 2016 DOI: 10.1038/ncomms10906
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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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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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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A molecular switch abrogates glycoprotein 100 (GP100) t-cell receptor (TCR) targeting of a human melanoma antigen Journal Of Biological Chemistry, Feb 2016 DOI: 10.1074/jbc.M115.707414
Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function Nature, 530 Feb 2016 DOI: 10.1038/nature16955
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Potent and selective inhibitors of MTH1 probe its role in cancer cell survival Journal Of Medicinal Chemistry, 59 Feb 2016 DOI: 10.1021/acs.jmedchem.5b01760
Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by human O-GlcNAcase Chemical Science, Feb 2016 DOI: 10.1039/C6SC00370B
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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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Hydrocarbon constrained peptides – understanding preorganisation and binding affinity Chemical Science, 7 Feb 2016 DOI: 10.1039/C5SC04048E
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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Optimization of the expression of human aldehyde oxidase for investigations of single-nucleotide polymorphisms Drug Metabolism And Disposition, Feb 2016 DOI: 10.1124/dmd.115.068395
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Structural basis of outer membrane protein insertion by the BAM complex Nature, 531 Feb 2016 DOI: 10.1038/nature17199
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Targeted redox inhibition of protein phosphatase 1 by Nox4 regulates eIF2 -mediated stress signaling The Embo Journal, Jan 2016 DOI: 10.15252/embj.201592394
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Structure of BRCA1-BRCT/Abraxas complex reveals phosphorylation-dependent BRCT dimerization at DNA damage sites Molecular Cell, Jan 2016 DOI: 10.1016/j.molcel.2015.12.017
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Rational steering of insulin binding specificity by intra-chain chemical crosslinking Scientific Reports, 6 Jan 2016 DOI: 10.1038/srep19431
Kinetic and structural characterisation of amyloid-β peptides hydrolysis by human angiotensin-1-converting enzyme Febs Journal, Jan 2016 DOI: 10.1111/febs.13647
Better than nature: nicotinamide biomimetics that outperform natural coenzymes Journal Of The American Chemical Society, 138 (3) Jan 2016 DOI: 10.1021/jacs.5b12252
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
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
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
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
Identification of LACTB2, a metallo-β-lactamase protein, as a human mitochondrial endoribonuclease Nucleic Acids Research, Jan 2016 DOI: 10.1093/nar/gkw050
Structure-based identification of inhibitory fragments targeting the p300/CBP-associated factor bromodomain Journal Of Medicinal Chemistry, 59 (4) Jan 2016 DOI: 10.1021/acs.jmedchem.5b01719
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
Discovery of 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a potent, WT sparing, irreversible inhibitor of T790M-containing EGFR mutants Journal Of Medicinal Chemistry, 59 Jan 2016 DOI: 10.1021/acs.jmedchem.5b01633
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- [Diamond Annual Review Highlight] Diamond Light Source, "Studying the flexibility of the RNA-dependent RNA polymerase of influenza virus" (2016)
- [Science Highlight] Diamond Light Source, "Diffraction software gets global refinement" (2016)
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- Glyn Hemsworth, Andrew J. Thompson, Judith Stepper, Lukasz Sobala, Travis Coyle, Johan Larsbrink, Oliver Spadiut, Ethan D. Goddard-Borger, Keith A. Stubbs, Harry Brumer, Gideon Grogan, "Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut", Open Biology, 6 (2016), DOI: 10.1098/rsob.160142
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- [Diamond Annual Review Highlight] Diamond Light Source, "Autophagy receptor for endoplasmic reticulum turnover" (2016)
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- [Science Highlight] Diamond Light Source, "Transcriptional triumphs" (2016)
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