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].
152 items found for 2017 [total: 2353]
The interdomain flexible linker of the polypeptide GalNAc transferases dictates their long-range glycosylation preferences Nature Communications, 8 Dec 2017 DOI: 10.1038/s41467-017-02006-0
Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations Scientific Reports, 7 Dec 2017 DOI: 10.1038/s41598-017-07755-y
A half-site multimeric enzyme achieves its cooperativity without conformational changes Scientific Reports, 7 Dec 2017 DOI: 10.1038/s41598-017-16421-2
Structural and functional analysis of proteins involved in the c-di-GMP network of the predatory bacterium Bdellovibrio bacteriovorus Dec 2017
Thesis I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Primer synthesis by a eukaryotic-like archaeal primase is independent of its Fe-S cluster Nature Communications, 8 Dec 2017 DOI: 10.1038/s41467-017-01707-w
Novel 4-amino-1,2,3-triazole inhibitors of indoleamine 2,3-dioxygenase form a long-lived complex with the enzyme and display exquisite cellular potency Chembiochem, Dec 2017 DOI: 10.1002/cbic.201700560
Journal Paper I03-Macromolecular Crystallography
Cyclobutanone mimics of intermediates in metallo-β-lactamase catalysis Chemistry - A European Journal, Dec 2017 DOI: 10.1002/chem.201705886
Crystal structures of murine and human Histamine-Releasing Factor (HRF/TCTP) and a model for HRF dimerisation in mast cell activation Molecular Immunology, 93 Dec 2017 DOI: 10.1016/j.molimm.2017.11.022
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
High resolution crystal structures of Clostridium botulinum neurotoxin A3 and A4 binding domains Journal Of Structural Biology, Dec 2017 DOI: 10.1016/j.jsb.2017.12.010
Journal Paper I03-Macromolecular Crystallography
The role of conserved residues in Fdc decarboxylase in prenylated flavin mononucleotide oxidative maturation, cofactor isomerisation and catalysis Journal Of Biological Chemistry, Dec 2017 DOI: 10.1074/jbc.RA117.000881
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
New insights into the structural and functional involvement of the gate loop in AcrB export activity Biochimica Et Biophysica Acta (bba) - Proteins And Proteomics, Nov 2017 DOI: 10.1016/j.bbapap.2017.11.003
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Structural studies of domain movement in active-site mutants of porphobilinogen deaminase from Bacillus megaterium Acta Crystallographica Section F Structural Biology Communications, 73 Nov 2017 DOI: 10.1107/S2053230X17015436
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Conformational dynamism for DNA interaction in the Salmonella RcsB response regulator Nucleic Acids Research, Nov 2017 DOI: 10.1093/nar/gkx1164
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
The molecular basis of phosphite and hypophosphite recognition by ABC-transporters Nature Communications, 8 Nov 2017 DOI: 10.1038/s41467-017-01226-8
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
New active leads for Tuberculosis booster drugs by structure-based drug discovery Organic & Biomolecular Chemistry, Nov 2017 DOI: 10.1039/C7OB00910K
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Dual molecular mechanisms govern escape at immunodominant HLA A2-restricted HIV epitope Frontiers In Immunology, 8 Nov 2017 DOI: 10.3389/fimmu.2017.01503
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
The human CTF4-orthologue AND-1 interacts with DNA polymerase α/primase via its unique C-terminal HMG box Open Biology, 7 Nov 2017 DOI: 10.1098/rsob.170217
Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase Proceedings Of The National Academy Of Sciences, 264 Nov 2017 DOI: 10.1073/pnas.1713698114
Journal Paper I03-Macromolecular Crystallography
Structure and mechanotransmission mechanism of the MacB ABC transporter superfamily Proceedings Of The National Academy Of Sciences, 23 Nov 2017 DOI: 10.1073/pnas.1712153114
Structure and function of the thermostable L -asparaginase from Thermococcus kodakarensis Acta Crystallographica Section D Structural Biology, 73 Nov 2017 DOI: 10.1107/S2059798317014711
Journal Paper I03-Macromolecular Crystallography
Structural dissection of human metapneumovirus phosphoprotein using small angle x-ray scattering Scientific Reports, 7 Nov 2017 DOI: 10.1038/s41598-017-14448-z
The molecular structure of the glycoside hydrolase domain of Cwp19 from Clostridium difficile The Febs Journal, 37 Nov 2017 DOI: 10.1111/febs.14310
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Generation of specific inhibitors of SUMO-1– and SUMO-2/3–mediated protein-protein interactions using Affimer (Adhiron) technology Science Signaling, 10 Nov 2017 DOI: 10.1126/scisignal.aaj2005
Structural studies of surfactant protein D in complex with bacterial lipopolysaccharide ligands Nov 2017
Thesis I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Keeping an oncogene down Nov 2017
Science Highlight I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates Nature Communications, 8 Oct 2017 DOI: 10.1038/s41467-017-00862-4
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Structural basis for high-affinity adipate binding to AdpC (RPA4515), an orphan periplasmic binding protein from the Tripartite Tricarboxylate Transporter (TTT) family in Rhodopseudomonas palustris The Febs Journal, Oct 2017 DOI: 10.1111/febs.14304
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
A study of the reactivity of S (VI) –F containing warheads with nucleophilic amino-acid side chains under physiological conditions Organic & Biomolecular Chemistry, 15 Oct 2017 DOI: 10.1039/C7OB02028G
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Biochemical and structural characterization of the carbohydrate transport substrate-binding-protein SP0092 Journal Of Visualized Experiments, Oct 2017 DOI: 10.3791/56294
T cell receptor alpha variable 12-2 bias in the immunodominant response to Yellow fever virus European Journal Of Immunology, Oct 2017 DOI: 10.1002/eji.201747082
Molecular mechanism by which prominent human gut Bacteroidetes utilize mixed-linkage beta-glucans, major health-promoting cereal polysaccharides Cell Reports, 21 Oct 2017 DOI: 10.1016/j.celrep.2017.09.049
Structure and interactions of the TPR domain of Sgt2 with yeast chaperones and Ybr137wp Frontiers In Molecular Biosciences, 4 Oct 2017 DOI: 10.3389/fmolb.2017.00068
Structural basis for GABAA receptor potentiation by neurosteroids Nature Structural & Molecular Biology, 90 Oct 2017 DOI: 10.1038/nsmb.3484
Structural and functional characterization of malate synthase G from opportunistic pathogen Pseudomonas aeruginosa Biochemistry, Oct 2017 DOI: 10.1021/acs.biochem.7b00852
Structure of the guanidine III riboswitch Cell Chemical Biology, Oct 2017 DOI: 10.1016/j.chembiol.2017.08.021
A general strategy for discovery of inhibitors and activators of RING and U-box E3 ligases with ubiquitin variants Molecular Cell, 68 Oct 2017 DOI: 10.1016/j.molcel.2017.09.027
Molecular basis of USP7 inhibition by selective small-molecule inhibitors Nature, 12 Oct 2017 DOI: 10.1038/nature24451
Design of leucine-rich repeat kinase 2 (LRRK2) inhibitors using a crystallographic surrogate derived from checkpoint kinase 1 (CHK1) Journal Of Medicinal Chemistry, Oct 2017 DOI: 10.1021/acs.jmedchem.7b01186
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
A fluorescence polarization activity-based protein profiling assay in the discovery of potent, selective inhibitors for human nonlysosomal glucosylceramidase Journal Of The American Chemical Society, Sept 2017 DOI: 10.1021/jacs.7b07352
Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism Nucleic Acids Research, Sept 2017 DOI: 10.1093/nar/gkx732
A high-throughput screening triage workflow to authenticate a novel series of PFKFB3 inhibitors Slas Discovery: Advancing Life Sciences R&d, 27 Sept 2017 DOI: 10.1177/2472555217732289
An improved crystal structure of C-phycoerythrin from the marine cyanobacterium Phormidium sp. A09DM Photosynthesis Research, Sept 2017 DOI: 10.1007/s11120-017-0443-2
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The origins of specificity in the microcin-processing protease TldD/E Structure, Sept 2017 DOI: 10.1016/j.str.2017.08.006
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Selective nonsteroidal glucocorticoid receptor modulators for the inhaled treatment of pulmonary diseases Journal Of Medicinal Chemistry, Sept 2017 DOI: 10.1021/acs.jmedchem.7b01215
Journal Paper I03-Macromolecular Crystallography
Studies on cyanobacterial protein PipY shed light on structure, potential functions, and vitamin B6-dependent epilepsy Febs Letters, 109 Sept 2017 DOI: 10.1002/1873-3468.12841
Journal Paper I03-Macromolecular Crystallography
Structures of Leishmania fructose-1,6-bisphosphatase reveal species-specific differences in the mechanism of allosteric inhibition Journal Of Molecular Biology, Sept 2017 DOI: 10.1016/j.jmb.2017.08.010
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Increase of enzyme activity through specific covalent modification with fragments Chemical Science, 8 Sept 2017 DOI: 10.1039/C7SC01966A
Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a non-preferred alcohol enantiomer The Febs Journal, Sept 2017 DOI: 10.1111/febs.14279
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Rift Valley fever phlebovirus NSs protein core domain structure suggests molecular basis for nuclear filaments Elife, Sept 2017 DOI: 10.7554/eLife.29236
X-ray free electron laser determination of crystal structures of dark and light states of a reversibly photoswitching fluorescent protein at room temperature International Journal Of Molecular Sciences, 18 Sept 2017 DOI: 10.3390/ijms18091918
Journal Paper B22-Multimode InfraRed imaging And Microspectroscopy I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Structural basis for the potent and selective binding of LDN-212854 to the BMP receptor kinase ALK2 Bone, Sept 2017 DOI: 10.1016/j.bone.2017.09.004
Stereotyped antibody responses target posttranslationally modified gluten in celiac disease Jci Insight, 2 Sept 2017 DOI: 10.1172/jci.insight.93961
Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases Biochemical Journal, Sept 2017 DOI: 10.1042/BCJ20170527
Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials Chemical Science, 30 Sept 2017 DOI: 10.1039/C7SC02103H
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Structural/mechanistic insights into the efficacy of non-classical β-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates Molecular Microbiology, Sept 2017 DOI: 10.1111/mmi.13831
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Structural and functional insights into the lipopolysaccharide ABC transporter LptB2FG Nature Communications, 8 Aug 2017 DOI: 10.1038/s41467-017-00273-5
A novel approach to data collection for difficult structures: data management for large numbers of crystals with the BLEND software Crystals, 7 Aug 2017 DOI: 10.3390/cryst7080242
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structural basis for the mechanism of ATP-dependent acetone carboxylation Scientific Reports, 7 Aug 2017 DOI: 10.1038/s41598-017-06973-8
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Mechanism of regulation of pantothenate biosynthesis by the PanD-PanZ.AcCoA complex reveals an additional mode of action for the antimetabolite N-pentyl pantothenamide (N5-Pan) Biochemistry, Aug 2017 DOI: 10.1021/acs.biochem.7b00509
Structural mechanism for modulation of synaptic neuroligin-neurexin signaling by MDGA proteins Neuron, 95 Aug 2017 DOI: 10.1016/j.neuron.2017.07.040
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Targeting the genome stability hub Ctf4 by stapled-peptide design Angewandte Chemie International Edition, Aug 2017 DOI: 10.1002/anie.201705611
Journal Paper I03-Macromolecular Crystallography
A new class of hybrid secretion system is employed in Pseudomonas amyloid biogenesis Nature Communications, 8 Aug 2017 DOI: 10.1038/s41467-017-00361-6
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Elucidation of molecular mechanisms of polyketide alkaloid biosynthesis Aug 2017
Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Pirating conserved phage mechanisms promotes promiscuous staphylococcal pathogenicity island transfer Elife, 6 Aug 2017 DOI: 10.7554/eLife.26487
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Determinants of the inhibition of DprE1 and CYP2C9 by antitubercular thiophenes Angewandte Chemie International Edition, Aug 2017 DOI: 10.1002/anie.201707324
Structure-function analysis of the Fusarium oxysporum Avr2 effector allows uncoupling of its immune-suppressing activity from recognition New Phytologist, 66 Aug 2017 DOI: 10.1111/nph.14733
Pac13 is a small, monomeric dehydratase that mediates the formation of the 3′-deoxy nucleoside of pacidamycins Angewandte Chemie International Edition, Aug 2017 DOI: 10.1002/anie.201705639
Structural characterization of acidic M17 leucine aminopeptidases from the TriTryps and evaluation of their role in nutrient starvation in Trypanosoma brucei Msphere, 2 Aug 2017 DOI: 10.1128/mSphere.00226-17
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage Jci Insight, 2 Jul 2017 DOI: 10.1172/jci.insight.93688
Intact protein analysis at 21 Tesla and X-ray crystallography define structural differences in single amino acid variants of human mitochondrial branched-chain amino acid aminotransferase 2 (BCAT2) Journal Of The American Society For Mass Spectrometry, 28 Jul 2017 DOI: 10.1007/s13361-017-1705-0
Journal Paper I03-Macromolecular Crystallography
Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange Nature Communications, 8 Jul 2017 DOI: 10.1038/ncomms16111
Structural basis for dolichylphosphate mannose biosynthesis Nature Communications, 8 Jul 2017 DOI: 10.1038/s41467-017-00187-2
Molecular mechanisms of Charcot-Marie-Tooth neuropathy linked to mutations in human myelin protein P2 Scientific Reports, 7 Jul 2017 DOI: 10.1038/s41598-017-06781-0
Structure-guided optimization of HIV integrase strand transfer inhibitors Journal Of Medicinal Chemistry, Jul 2017 DOI: 10.1021/acs.jmedchem.7b00596
The self-inhibitory nature of metabolic networks and its alleviation through compartmentalization Nature Communications, 8 Jul 2017 DOI: 10.1038/ncomms16018
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Design of a chemical probe for the Bromodomain and Plant Homeodomain Finger-containing (BRPF) family of proteins Journal Of Medicinal Chemistry, Jul 2017 DOI: 10.1021/acs.jmedchem.7b00611
Journal Paper I03-Macromolecular Crystallography
A nucleotide-controlled conformational switch modulates the activity of eukaryotic IMP dehydrogenases Scientific Reports, 7 June 2017 DOI: 10.1038/s41598-017-02805-x
Structural biology and the design of new therapeutics: from HIV and cancer to mycobacterial infections Journal Of Molecular Biology, June 2017 DOI: 10.1016/j.jmb.2017.06.014
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Activity-based probes for functional interrogation of retaining β-glucuronidases Nature Chemical Biology, 268 June 2017 DOI: 10.1038/nchembio.2395
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Insights into Hunter syndrome from the structure of iduronate-2-sulfatase Nature Communications, 8 June 2017 DOI: 10.1038/ncomms15786
Structure of the Neisseria Adhesin Complex Protein (ACP) and its role as a novel lysozyme inhibitor Plos Pathogens, 13 June 2017 DOI: 10.1371/journal.ppat.1006448
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Pushing the limits of detection of weak binding using fragment based drug discovery: identification of new cyclophilin binders Journal Of Molecular Biology, June 2017 DOI: 10.1016/j.jmb.2017.06.016
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Structural basis for mitotic centrosome assembly in flies Cell, 169 June 2017 DOI: 10.1016/j.cell.2017.05.030
Structural snapshots and loop dynamics along the catalytic cycle of glycosyltransferase GpgS Structure, June 2017 DOI: 10.1016/j.str.2017.05.009
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Structural basis for specific interaction of TGFβ signaling regulators SARA/Endofin with HD-PTP Structure, June 2017 DOI: 10.1016/j.str.2017.05.005
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands The Embo Journal, June 2017 DOI: 10.15252/embj.201796632
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural insights into the function of ZRANB3 in replication stress response Nature Communications, 8 June 2017 DOI: 10.1038/ncomms15847
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structures of PGAM5 provide insight into active site plasticity and multimeric assembly Structure, June 2017 DOI: 10.1016/j.str.2017.05.020
Partial-occupancy binders identified by the Pan-Dataset Density Analysis method offer new chemical opportunities and reveal cryptic binding sites Structural Dynamics, 4 May 2017 DOI: 10.1063/1.4974176
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Characterisation of a pucBA deletion mutant from Rhodopseudomonas palustris lacking all but the pucBAd genes Photosynthesis Research, May 2017 DOI: 10.1007/s11120-017-0386-7
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Molecular basis for PrimPol recruitment to replication forks by RPA Nature Communications, 8 May 2017 DOI: 10.1038/ncomms15222
Structural basis for spumavirus GAG tethering to chromatin Proceedings Of The National Academy Of Sciences, 114 May 2017 DOI: 10.1073/pnas.1621159114
The origin and evolution of human glutaminases and their atypical C-terminal ankyrin repeats Journal Of Biological Chemistry, May 2017 DOI: 10.1074/jbc.M117.787291
A Bacteroidetes locus dedicated to fungal 1,6-β-glucan degradation: unique substrate conformation drives specificity of the key endo-1,6-β-glucanase Journal Of Biological Chemistry, May 2017 DOI: 10.1074/jbc.M117.787606
5-Formylcytosine does not change the global structure of DNA Nature Structural & Molecular Biology, 74 May 2017 DOI: 10.1038/nsmb.3411
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Visualizing biological copper storage: the importance of thiolate-coordinated tetranuclear clusters Angewandte Chemie International Edition, May 2017 DOI: 10.1002/anie.201703107
A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density Nature Communications, 8 Apr 2017 DOI: 10.1038/ncomms15123
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Design and synthesis of potent inhibitors of the mono(ADP-ribosyl)transferase, PARP14 Bioorganic & Medicinal Chemistry Letters, Apr 2017 DOI: 10.1016/j.bmcl.2017.04.089
Journal Paper I03-Macromolecular Crystallography
Allosteric mechanism of action of the therapeutic anti-IgE antibody omalizumab Journal Of Biological Chemistry, Apr 2017 DOI: 10.1074/jbc.M117.776476
The conserved protein Seb1 drives transcription termination by binding RNA polymerase II and nascent RNA Nature Communications, 8 Apr 2017 DOI: 10.1038/ncomms14861
Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate Proceedings Of The National Academy Of Sciences, 69 Apr 2017 DOI: 10.1073/pnas.1617760114
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Unusual active site location and catalytic apparatus in a glycoside hydrolase family Proceedings Of The National Academy Of Sciences, 447 Apr 2017 DOI: 10.1073/pnas.1701130114
Structure-guided discovery of potent and selective inhibitors of ERK1/2 from a modestly active and promiscuous chemical start point Journal Of Medicinal Chemistry, Apr 2017 DOI: 10.1021/acs.jmedchem.7b00267
Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach British Journal Of Pharmacology, Apr 2017 DOI: 10.1111/bph.13810
A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066 Bioorganic & Medicinal Chemistry, Apr 2017 DOI: 10.1016/j.bmc.2017.04.037
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters Nature Chemical Biology, 13 Apr 2017 DOI: 10.1038/nchembio.2361
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Improving the ‘tool box’ for robust industrial enzymes Journal Of Industrial Microbiology & Biotechnology, 44 Apr 2017 DOI: 10.1007/s10295-017-1920-5
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural insights into the ene-reductase synthesis of profens Organic & Biomolecular Chemistry, Apr 2017 DOI: 10.1039/C7OB00163K
Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Chemistry at the protein–mineral interface in L-ferritin assists the assembly of a functional (μ 3 -oxo)Tris[(μ 2 -peroxo)] triiron(III) cluster Proceedings Of The National Academy Of Sciences, 114 Mar 2017 DOI: 10.1073/pnas.1614302114
Structure of the MeCP2–TBLR1 complex reveals a molecular basis for Rett syndrome and related disorders Proceedings Of The National Academy Of Sciences, Mar 2017 DOI: 10.1073/pnas.1700731114
Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules Journal Of Biological Chemistry, Mar 2017 DOI: 10.1074/jbc.M117.775924
Structural and functional insight into human O-GlcNAcase Nature Chemical Biology, 258 Mar 2017 DOI: 10.1038/nchembio.2358
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Development of a selective inhibitor of protein arginine deiminase 2 Journal Of Medicinal Chemistry, Mar 2017 DOI: 10.1021/acs.jmedchem.7b00274
Catalytic determinants of alkene production by the cytochrome P450 peroxygenase OleTJE Journal Of Biological Chemistry, 292 Mar 2017 DOI: 10.1074/jbc.M116.762336
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Ligand-induced conformational change of Insulin-regulated aminopeptidase: insights on catalytic mechanism and active site plasticity Journal Of Medicinal Chemistry, Mar 2017 DOI: 10.1021/acs.jmedchem.6b01890
Journal Paper I03-Macromolecular Crystallography
Using X-ray crystallography, biophysics, and functional assays to determine the mechanisms governing T-cell receptor recognition of cancer antigens Journal Of Visualized Experiments, Mar 2017 DOI: 10.3791/54991
Structure of the Sac3 RNA-binding M-region in the Saccharomyces cerevisiae TREX-2 complex Nucleic Acids Research, Mar 2017 DOI: 10.1093/nar/gkx158
Structure and function of the PiuA and PirA siderophore-drug receptors from Pseudomonas aeruginosa and Acinetobacter baumannii Antimicrobial Agents And Chemotherapy, 61 Mar 2017 DOI: 10.1128/AAC.02531-16
Structural basis of Eco1-mediated cohesin acetylation Scientific Reports, 7 Mar 2017 DOI: 10.1038/srep44313
IgE binds asymmetrically to its B cell receptor CD23 Scientific Reports, 7 Mar 2017 DOI: 10.1038/srep45533
Fragment-sized EthR inhibitors exhibit exceptionally strong ethionamide boosting effect in whole cell Mycobacterium tuberculosis assays Acs Chemical Biology, Mar 2017 DOI: 10.1021/acschembio.7b00091
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
An improved model of the Trypanosoma brucei ctp synthetase glutaminase domain–acivicin complex Chemmedchem, 62 Mar 2017 DOI: 10.1002/cmdc.201700118
Disarming bacterial defences Mar 2017
Science Highlight I03-Macromolecular Crystallography
PCNA dependent cellular activities tolerate dramatic perturbations in PCNA client interactions Dna Repair, 50 Feb 2017 DOI: 10.1016/j.dnarep.2016.12.003
Journal Paper I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
The crystal structure of PD1, a Haemophilus surface fibril domain Acta Crystallographica Section F Structural Biology Communications, 73 Feb 2017 DOI: 10.1107/S2053230X17001406
Structural insights into human angiogenin variants implicated in Parkinson’s disease and Amyotrophic Lateral Sclerosis Scientific Reports, 7 Feb 2017 DOI: 10.1038/srep41996
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
DNA-PKcs structure suggests an allosteric mechanism modulating DNA double-strand break repair Science, 355 Feb 2017 DOI: 10.1126/science.aak9654
Development of potent, selective SRPK1 inhibitors as potential topical therapeutics for neovascular eye disease Acs Chemical Biology, Feb 2017 DOI: 10.1021/acschembio.6b01048
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
A key centriole assembly interaction interface between human Plk4 and STIL appears to not be conserved in flies Biology Open, Feb 2017 DOI: 10.1242/bio.024661
A two-tailed phosphopeptide crystallizes to form a lamellar structure Angewandte Chemie International Edition, Feb 2017 DOI: 10.1002/anie.201609877
Structural basis of the specificity of USP18 toward ISG15 Nature Structural & Molecular Biology, Feb 2017 DOI: 10.1038/nsmb.3371
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
ATG4B contains a C-terminal LIR motif important for binding and efficient cleavage of mammalian orthologs of yeast Atg8 Autophagy, Feb 2017 DOI: 10.1080/15548627.2017.1287651
Structural studies of RFC C tf18 reveal a novel chromatin recruitment role for Dcc1 Embo Reports, Feb 2017 DOI: 10.15252/embr.201642825
Structure based design of non-natural peptidic macrocyclic Mcl-1 inhibitors Acs Medicinal Chemistry Letters, 8 Feb 2017 DOI: 10.1021/acsmedchemlett.6b00464
Journal Paper I03-Macromolecular Crystallography
Structural characterization of the Streptococcus pneumoniae carbohydrate substrate-binding protein SP0092 Acta Crystallographica Section F Structural Biology Communications, 73 Jan 2017 DOI: 10.1107/S2053230X16020252
Mechanisms of Yersinia YopO kinase substrate specificity Scientific Reports, 7 Jan 2017 DOI: 10.1038/srep39998
Insights into the mechanistic basis of plasmid-mediated colistin resistance from crystal structures of the catalytic domain of MCR-1 Scientific Reports, 7 Jan 2017 DOI: 10.1038/srep39392
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Active site maturation and activity of the copper-radical oxidase GlxA is governed by a tryptophan residue Biochemical Journal, Jan 2017 DOI: 10.1042/BCJ20160968
Journal Paper I03-Macromolecular Crystallography
Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism Nucleic Acids Research, Jan 2017 DOI: 10.1093/nar/gkw1354
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Structure of the Toll/Interleukin-1 Receptor (TIR) domain of the B-cell adaptor that links phosphoinositide metabolism with the negative regulation of the Toll-like Receptor (TLR) signalosome Journal Of Biological Chemistry, 292 Jan 2017 DOI: 10.1074/jbc.M116.761528
Structural characterization and ligand/inhibitor identification provide functional insights into the Mycobacterium tuberculosis cytochrome P450 CYP126A1 Journal Of Biological Chemistry, 292 Jan 2017 DOI: 10.1074/jbc.M116.748822
Structure of the cohesin loader Scc2 Nature Communications, 8 Jan 2017 DOI: 10.1038/ncomms13952
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-Macromolecular Crystallography open access
Discovery of a potent, cell penetrant, and selective p300/CBP-associated factor (PCAF)/general control nonderepressible 5 (GCN5) bromodomain chemical probe Journal Of Medicinal Chemistry, 60 Jan 2017 DOI: 10.1021/acs.jmedchem.6b01566
Journal Paper I03-Macromolecular Crystallography
Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site Proceedings Of The National Academy Of Sciences, Jan 2017 DOI: 10.1073/pnas.1616502114
The structure of a calcium-dependent phosphoinositide-specific phospholipase C from Pseudomonas sp. 62186, the first from a Gram-negative bacterium Acta Crystallographica Section D Structural Biology, 73 Jan 2017 DOI: 10.1107/S2059798316019616
Journal Paper I03-Macromolecular Crystallography
Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16 Biochemical Journal, Jan 2017 DOI: 10.1042/BCJ20160941
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Structural basis for nutrient acquisition by dominant members of the human gut microbiota Nature, 541 Jan 2017 DOI: 10.1038/nature20828
Journal Paper I03-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Oxidative maturation and structural characterization of prenylated FMN binding by UbiD, a decarboxylase involved in bacterial ubiquinone biosynthesis Journal Of Biological Chemistry, Jan 2017 DOI: 10.1074/jbc.M116.762732
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5 Nucleic Acids Research, Jan 2017 DOI: 10.1093/nar/gkw1362
Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structure and cooperativity of the cytosolic domain of the CorA Mg2+ channel from Escherichia coli Structure, Jan 2017 DOI: 10.1016/j.str.2017.05.024
Thwarting antibiotic resistance Jan 2017
Science Highlight I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
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- Mairi L. Kilkenny, Aline C. Simon, Jack Mainwaring, David Wirthensohn, Sandro Holzer, Luca Pellegrini, "The human CTF4-orthologue AND-1 interacts with DNA polymerase α/primase via its unique C-terminal HMG box", Open Biology, 7 (2017), DOI: 10.1098/rsob.170217
- Ruben M. Buey, Juan B. Arellano, Luis López-Maury, Sergio Galindo-Trigo, Adrián Velázquez-Campoy, José L. Revuelta, Jose M. De Pereda, Francisco J. Florencio, Peter Schürmann, Bob B. Buchanan, Monica Balsera, "Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase", Proceedings Of The National Academy Of Sciences, 264 (2017), DOI: 10.1073/pnas.1713698114
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- Jingxu Guo, Alun Coker, Steve P. Wood, Jonathan B. Cooper, Shahid Mahmood Chohan, Naeem Rashid, Muhummad Akhtar, "Structure and function of the thermostable L -asparaginase from Thermococcus kodakarensis", Acta Crystallographica Section D Structural Biology, 73, 889 - 895 (2017), DOI: 10.1107/S2059798317014711
- Max Renner, Guido C. Paesen, Claire M. Grison, Sébastien Granier, Jonathan M. Grimes, Cedric Leyrat, "Structural dissection of human metapneumovirus phosphoprotein using small angle x-ray scattering", Scientific Reports, 7 (2017), DOI: 10.1038/s41598-017-14448-z
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- [Science Highlight] Diamond Light Source, "Keeping an oncogene down" (2017)
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- Leonardo T. Rosa, Samuel R. Dix, John B. Rafferty, David J. Kelly, "Structural basis for high-affinity adipate binding to AdpC (RPA4515), an orphan periplasmic binding protein from the Tripartite Tricarboxylate Transporter (TTT) family in Rhodopseudomonas palustris", The Febs Journal (2017), DOI: 10.1111/febs.14304
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- Alyssa C. Mcvey, Prasanthi Medarametla, Xavier Chee, Sean Bartlett, Antti Poso, David R. Spring, Taufiq Rahman, Martin Welch, "Structural and functional characterization of malate synthase G from opportunistic pathogen Pseudomonas aeruginosa", Biochemistry (2017), DOI: 10.1021/acs.biochem.7b00852
- David Lilley, Lin Huang, Jia Wang, Timothy J. Wilson, "Structure of the guanidine III riboswitch", Cell Chemical Biology (2017), DOI: 10.1016/j.chembiol.2017.08.021
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- Eleanor Williams, Alex N. Bullock, "Structural basis for the potent and selective binding of LDN-212854 to the BMP receptor kinase ALK2", Bone (2017), DOI: 10.1016/j.bone.2017.09.004
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- Anastasia Mylona, Stephen Carr, Pierre Aller, Isabel Moraes, Richard Treisman, Gwyndaf Evans, James Foadi, "A novel approach to data collection for difficult structures: data management for large numbers of crystals with the BLEND software", Crystals, 7 (2017), DOI: 10.3390/cryst7080242
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- Zoe L. P. Arnott, Shingo Nozaki, Diana C. F. Monteiro, Holly E. Morgan, Arwen R. Pearson, Hironori Niki, Michael E. Webb, "Mechanism of regulation of pantothenate biosynthesis by the PanD-PanZ.AcCoA complex reveals an additional mode of action for the antimetabolite N-pentyl pantothenamide (N5-Pan)", Biochemistry (2017), DOI: 10.1021/acs.biochem.7b00509
- Jonathan Elegheert, Vedrana Cvetkovska, Amber J. Clayton, Christina Heroven, Kristel M. Vennekens, Samuel N. Smukowski, Michael C. Regan, Wanyi Jia, Alexandra C. Smith, Hiro Furukawa, Jeffrey N. Savas, Joris De Wit, Jo Begbie, Ann Marie Craig, Alexandru Aricescu, "Structural mechanism for modulation of synaptic neuroligin-neurexin signaling by MDGA proteins", Neuron, 95, 896 - 913.e10 (2017), DOI: 10.1016/j.neuron.2017.07.040
- Yuteng Wu, Fabrizio Villa, Joseph Maman, Lina Dobnikar, Yu H. Lau, Aline C. Simon, Karim Labib, David R. Spring, Luca Pellegrini, "Targeting the genome stability hub Ctf4 by stapled-peptide design", Angewandte Chemie International Edition (2017), DOI: 10.1002/anie.201705611
- Sarah L. Rouse, William J. Hawthorne, Jamie-Lee Berry, Dror S. Chorev, Sandra A. Ionescu, Sebastian Lambert, Fisentzos Stylianou, Wiebke Ewert, Uma Mackie, R. Marc L. Morgan, Daniel Otzen, Florian-Alexander Herbst, Per H. Nielsen, Morten Dueholm, Hagan Bayley, Carol V. Robinson, Stephen Hare, Stephen Matthews, "A new class of hybrid secretion system is employed in Pseudomonas amyloid biogenesis", Nature Communications, 8 (2017), DOI: 10.1038/s41467-017-00361-6
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- [Science Highlight] Diamond Light Source, "Thwarting antibiotic resistance" (2017)
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