Instruments by Science Group
Macromolecular
Soft Condensed 
Imaging and
Biological
Magnetic
Structures and
Crystallography 
Spectroscopy I04-1 Contact
Beamline Phone Number:
+44 (0) 1235 778979
Principal Beamline Scientist:
Frank von Delft
Tel: +44 (0) 1235 778997
E-mail: [email protected]
Science Group Leader
Dave Hall
Email: [email protected]
Tel: +44 (0) 1235 778926
I04-1 Fixed wavelength MX
Status: Operational
Beamsize: 60 x 50
Detector: Eiger2 XE 9M
Wavelength: 0.92Å (fixed)
Energy: 13.445 keV
Detector: Eiger2 XE 9M
Wavelength: 0.92Å (fixed)
Energy: 13.445 keV
These publications are based on data gathered on beamline I04-1. If you are aware of any errors or publications that should be listed here, please send details to [email protected].
125 items found for 2016 [total: 1244]
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
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
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
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
The toxin-antitoxin system DarTG catalyzes reversible ADP-ribosylation of DNA Molecular Cell, 64 Dec 2016 DOI: 10.1016/j.molcel.2016.11.014
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
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)
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
Structural snapshots of Xer recombination reveal activation by synaptic complex remodeling and DNA bending Elife, 5 Dec 2016 DOI: 10.7554/eLife.19706
Structural basis for the dimerization of Nab2 generated by RNA binding provides insight into its contribution to both poly(A) tail length determination and transcript compaction in Saccharomyces cerevisiae Nucleic Acids Research, Dec 2016 DOI: 10.1093/nar/gkw1224
Importance of the active site “canopy” residues in an O2-tolerant [NiFe]-hydrogenase Biochemistry, Dec 2016 DOI: 10.1021/acs.biochem.6b00868
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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)
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 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
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)
Cyclin-dependent kinase (CDK) inhibitors: structure–activity relationships and insights into the CDK-2 selectivity of 6-substituted 2-arylaminopurines Journal Of Medicinal Chemistry, Dec 2016 DOI: 10.1021/acs.jmedchem.6b01254
Discovery of cofactor-specific, bactericidal Mycobacterium tuberculosis InhA inhibitors using DNA-encoded library technology Proceedings Of The National Academy Of Sciences, 113 Dec 2016 DOI: 10.1073/pnas.1610978113
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
Functional and structural analysis of the angucyclinone ketoreductase SimC7 Nov 2016
Thesis I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Cellular and viral peptides bind multiple sites on the N-terminal domain of clathrin Traffic, Nov 2016 DOI: 10.1111/tra.12457
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
An unusual binding model of the methyl 9-anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) confers high selectivity for dual-specificity tyrosine phosphorylation-regulated kinases Journal Of Medicinal Chemistry, 59 Nov 2016 DOI: 10.1021/acs.jmedchem.6b01083
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme Nature, 539 Nov 2016 DOI: 10.1038/nature20159
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Potent and selective chemical probe of hypoxic signalling downstream of HIF-α hydroxylation via VHL inhibition Nature Communications, 7 Nov 2016 DOI: 10.1038/ncomms13312
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 snapshots for mechanism-based inactivation of a glycoside hydrolase by cyclopropyl carbasugars Angewandte Chemie International Edition, 55 Nov 2016 DOI: 10.1002/anie.201607431
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Structural basis for phospholyase activity of a class III transaminase homologue Chembiochem, Oct 2016 DOI: 10.1002/cbic.201600482
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Structure and substrate recognition of the bottromycin maturation enzyme BotP Chembiochem, Oct 2016 DOI: 10.1002/cbic.201600406
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of streptomyces coelicolor maltosyltransferase GlgE* Journal Of Biological Chemistry, 291 Oct 2016 DOI: 10.1074/jbc.M116.748160
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
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
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
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
A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms Scientific Reports, 6 Oct 2016 DOI: 10.1038/srep34701
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Mechanism of TAp73 inhibition by ΔNp63 and structural basis of p63/p73 hetero-tetramerization Cell Death And Differentiation, 23 Oct 2016 DOI: 10.1038/cdd.2016.83
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
CARP interacts with titin at a unique helical N2A sequence and at the domain Ig81 to form a structured complex Febs Letters, Sept 2016 DOI: 10.1002/1873-3468.12362
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
Full-length model of the human galectin-4 and insights into dynamics of inter-domain communication Scientific Reports, 6 Sept 2016 DOI: 10.1038/srep33633
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
Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target Plos One, 11 Sept 2016 DOI: 10.1371/journal.pone.0161020
Crystal structure of the Pseudomonas aeruginosa bel-1 extended-spectrum β-lactamase and its complexes with moxalactam and imipenem Antimicrobial Agents And Chemotherapy, Sept 2016 DOI: 10.1128/AAC.00936-16
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
In situ formation of the first proteinogenically functionalized [TeW6O24O2(Glu)]7− structure reveals unprecedented chemical and geometrical features of the Anderson-type cluster Chemical Communications, 52 Sept 2016 DOI: 10.1039/C6CC07004C
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
Structural basis of laminin binding to the LARGE glycans on dystroglycan Nature Chemical Biology, Aug 2016 DOI: 10.1038/nchembio.2146
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
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
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)
The mechanism by which arabinoxylanases can recognise highly decorated xylans Journal Of Biological Chemistry, Aug 2016 DOI: 10.1074/jbc.M116.743948
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus 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
The structure of a Trypanosoma cruzi glucose-6-phosphate dehydrogenase reveals differences from the mammalian enzyme Febs Letters, 590 Aug 2016 DOI: 10.1002/1873-3468.12276
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
Development of specific, irreversible inhibitors for a receptor tyrosine kinase EphB3 Journal Of The American Chemical Society, 138 Aug 2016 DOI: 10.1021/jacs.6b05483
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
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
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
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
Allosteric inhibition of Aurora-A kinase by a synthetic vNAR domain Open Biology, 6 Jul 2016 DOI: 10.1098/rsob.160089
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 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
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
A Salmonella toxin promotes persister formation through acetylation of tRNA Molecular Cell, 63 Jul 2016 DOI: 10.1016/j.molcel.2016.05.002
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
Structural and catalytic characterization of a fungal Baeyer-Villiger monooxygenase Plos One, 11 Jul 2016 DOI: 10.1371/journal.pone.0160186
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
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
Arginine demethylation is catalysed by a subset of JmjC histone lysine demethylases Nature Communications, 7 June 2016 DOI: 10.1038/ncomms11974
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
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
Transient Fcho1/2⋅Eps15/R⋅AP-2 nanoclusters prime the AP-2 clathrin adaptor for cargo binding Developmental Cell, 37 June 2016 DOI: 10.1016/j.devcel.2016.05.003
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
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
Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors Acta Crystallographica Section F Structural Biology Communications, 72 May 2016 DOI: 10.1107/S2053230X16004611
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Bacteria in an intense competition for iron: Key component of the Campylobacter jejuni iron uptake system scavenges enterobactin hydrolysis product Proceedings Of The National Academy Of Sciences, May 2016 DOI: 10.1073/pnas.1520829113
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Exploiting protein conformational change to optimize adenosine-derived inhibitors of HSP70 Journal Of Medicinal Chemistry, May 2016 DOI: 10.1021/acs.jmedchem.5b02001
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
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
A cascading activity-based probe sequentially targets E1–E2–E3 ubiquitin enzymes Nature Chemical Biology, 12 May 2016 DOI: 10.1038/nchembio.2084
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
The catalytic mechanism of a natural Diels–Alderase revealed in molecular detail Journal Of The American Chemical Society, 138 May 2016 DOI: 10.1021/jacs.6b00232
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus 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
The extended structure of the periplasmic region of CdsD, a structural protein of the type III secretion system of Chlamydia trachomatis Protein Science, 25 May 2016 DOI: 10.1002/pro.2906
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
A "hotspot" for autoimmune T cells in type 1 diabetes Journal Of Clinical Investigation, 126 May 2016 DOI: 10.1172/JCI88165
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
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
Super-complexes of adhesion GPCRs and neural guidance receptors Nature Communications, 7 Apr 2016 DOI: 10.1038/ncomms11184
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Crystal structures and binding dynamics of odorant-binding protein 3 from two aphid species Megoura viciae and Nasonovia ribisnigri Scientific Reports, 6 Apr 2016 DOI: 10.1038/srep24739
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
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
Structure and organization of heteromeric AMPA-type glutamate receptors Science, Mar 2016 DOI: 10.1126/science.aad3873
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases Proceedings Of The National Academy Of Sciences, 113 (13) Mar 2016 DOI: 10.1073/pnas.1523575113
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)
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
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural studies of the recognition of bacterial lipopolysaccharides by human surfactant protein-D Mar 2016
Thesis I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
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
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
YihQ is a sulfoquinovosidase that cleaves sulfoquinovosyl diacylglyceride sulfolipids Nature Chemical Biology, 12 Mar 2016 DOI: 10.1038/nchembio.2023
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
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
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Design, synthesis, crystallization and biological evaluation of new symmetrical biscationic compounds as selective inhibitors of human Choline Kinase α1 (ChoKα1) Scientific Reports, 6 Mar 2016 DOI: 10.1038/srep23793
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
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) 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
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
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
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
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
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Family-wide structural analysis of human numb- associated protein kinases Structure, Feb 2016 DOI: 10.1016/j.str.2015.12.015
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Catalytic promiscuity of transaminases: preparation of enantioenriched β-fluoroamines by formal tandem hydrodefluorination/deamination Angewandte Chemie International Edition, 55 (9) Feb 2016 DOI: 10.1002/anie.201510554
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Nucleocapsid assembly in pneumoviruses is regulated by conformational switching of the N protein Elife, 5 Feb 2016 DOI: 10.7554/eLife.12627
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Molecular basis of ion permeability in a voltage-gated sodium channel The Embo Journal, 35 (4) Feb 2016 DOI: 10.15252/embj.201593285
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Crystallography captures catalytic steps in human methionine adenosyltransferase enzymes Proceedings Of The National Academy Of Sciences, 113 (8) Feb 2016 DOI: 10.1073/pnas.1510959113
THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria Nature Microbiology, 1 Feb 2016 DOI: 10.1038/nmicrobiol.2015.6
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-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
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
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
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
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
Structural insights into polymorphic abo glycan binding by Helicobacter pylori Cell Host & Microbe, 19 Jan 2016 DOI: 10.1016/j.chom.2015.12.004
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Discovery and characterization of a thermostable and highly halotolerant GH5 cellulase from an Icelandic hot spring isolate Plos One, 11 Jan 2016 DOI: 10.1371/journal.pone.0146454
Development and structural analysis of adenosine site binding tankyrase inhibitors Bioorganic & Medicinal Chemistry Letters, 26 (2) Jan 2016 DOI: 10.1016/j.bmcl.2015.12.018
Crystal structures of penicillin-binding protein 3 in complex with azlocillin and cefoperazone in both acylated and deacylated forms Febs Letters, Jan 2016 DOI: 10.1002/1873-3468.12054
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
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
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
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Tetrahydroisoquinoline phenols: selective estrogen receptor downregulator antagonists with oral bioavailability in rat Acs Medicinal Chemistry Letters, 7 Jan 2016 DOI: 10.1021/acsmedchemlett.5b00413
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Novel interaction mechanism of a domain antibody based inhibitor of human vascular endothelial growth factor with greater potency than ranibizumab and bevacizumab and improved capacity over aflibercept Journal Of Biological Chemistry, 291 Jan 2016 DOI: 10.1074/jbc.M115.691162
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
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
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
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
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The structure and catalytic mechanism of Human Sphingomyelin Phosphodiesterase like 3a - an acid sphingomyelinase homolog with a novel nucleotide hydrolase activity Febs Journal, Jan 2016 DOI: 10.1111/febs.13655
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
- Esben M. Quistgaard, Ulrich Weininger, Yonca Ural-Blimke, Kristofer Modig, Pär Nordlund, Mikael Akke, Christian Low, "Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD", Bmc Biology, 14 (2016), DOI: 10.1186/s12915-016-0300-3
- Catherine R. Back, Maryta N. Sztukowska, Marisa Till, Richard J. Lamont, Howard F. Jenkinson, Angela H. Nobbs, Paul R. Race, "The Streptococcus gordonii adhesin CshA binds host fibronectin via a catch-clamp mechanism", Journal Of Biological Chemistry (2016), DOI: 10.1074/jbc.M116.760975
- 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
- Marija Petricevic, Lukasz F. Sobala, Pearl Fernandes, Lluís Raich, Andrew James Thompson, Ganeko Bernardo-Seisdedos, Oscar Millet, Sha Zhu, Matthieu Sollogoub, Jesús Jimenez-Barbero, Carme Rovira, Gideon J. Davies, Spencer J. Williams, "Contribution of shape and charge to the inhibition of a family GH99 endo -α-1,2-mannanase", Journal Of The American Chemical Society (2016), DOI: 10.1021/jacs.6b10075
- Gytis Jankevicius, Antonio Ariza, Marijan Ahel, Ivan Ahel, "The toxin-antitoxin system DarTG catalyzes reversible ADP-ribosylation of DNA", Molecular Cell, 64, 1109 - 1116 (2016), DOI: 10.1016/j.molcel.2016.11.014
- Georgette M. Castanedo, Nicole Blaquiere, Maureen H. Beresini, Brandon Bravo, Hans Brightbill, Jacob Chen, Haifeng Cui, Charles Eigenbrot, Christine Everett, Jianwen A. Feng, Robert Godemann, Emily Gogol, Sarah G Hymowitz, Adam R. Johnson, Nobuhiko Kayagaki, Pawan Bir Kohli, Kathleen Knueppel, Joachim Krämer, Susanne Krueger, Pui Loke, Paul Mcewan, Christian Montalbetti, David Allen Roberts, Myron Smith, Stefan Steinbacher, Swathi Sujathabhaskar, Ryan Takahashi, Xiaolu Wang, Lawren C. Wu, Yamin Zhang, Steven Thomas Staben, "Structure-based design of tricyclic NF-κB inducing kinase (NIK) inhibitors that have high selectivity over phosphoinositide-3-kinase (PI3K)", Journal Of Medicinal Chemistry (2016), DOI: 10.1021/acs.jmedchem.6b01363
- 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
- Aleksandra Bebel, Ezgi Karaca, Banushree Kumar, W. Marshall Stark, Orsolya Barabas, "Structural snapshots of Xer recombination reveal activation by synaptic complex remodeling and DNA bending", Elife, 5 (2016), DOI: 10.7554/eLife.19706
- Shintaro Aibara, James M. B. Gordon, Anja S. Riesterer, Stephen H. Mclaughlin, Murray Stewart, "Structural basis for the dimerization of Nab2 generated by RNA binding provides insight into its contribution to both poly(A) tail length determination and transcript compaction in Saccharomyces cerevisiae", Nucleic Acids Research (2016), DOI: 10.1093/nar/gkw1224
- Emily J. Brooke, Rhiannon M. Evans, Shams T. A. Afroza Islam, Gerri M. Roberts, Sara A. M. Wehlin, Stephen B. Carr, Simon E. V. Phillips, Fraser A. Armstrong, "Importance of the active site “canopy” residues in an O2-tolerant [NiFe]-hydrogenase", Biochemistry (2016), DOI: 10.1021/acs.biochem.6b00868
- Linus F. Reichenbach, Ahmad Ahmad Sobri, Nathan R. Zaccai, Christopher Agnew, Nicholas Burton, Lucy P. Eperon, Sara De Ornellas, Ian C. Eperon, R. Leo Brady, Glenn A. Burley, "Structural basis of the mispairing of an artificially expanded genetic information system", Chem, 1, 946 - 958 (2016), DOI: 10.1016/j.chempr.2016.11.009
- 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
- Laziana Ahmad, Elizabeth L. Rylott, Neil C. Bruce, Robert Edwards, Gideon Grogan, "Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands", Febs Open Bio (2016), DOI: 10.1002/2211-5463.12168
- Mariana Grieben, Ashley C. W. Pike, Chitra A. Shintre, Elisa Venturi, Sam El-Ajouz, Annamaria Tessitore, Leela Shrestha, Shubhashish Mukhopadhyay, Pravin Mahajan, Rod Chalk, Nicola A Burgess-Brown, Rebecca Sitsapesan, Juha T. Huiskonen, Elisabeth P. Carpenter, "Structure of the polycystic kidney disease TRP channel Polycystin-2 (PC2)", Nature Structural & Molecular Biology, 24, 114 - 122 (2016), DOI: 10.1038/nsmb.3343
- Christopher R Coxon, Elizabeth Anscombe, Suzannah Jane Harnor, Mathew P. Martin, Benoit Jean-Pierre Carbain, Bernard Thomas Golding, Ian Robert Hardcastle, Lisa K Harlow, Svitlana Korolchuk, Christopher J. Matheson, David R. Newell, Martin E. M. Noble, Mangaleswaran Sivaprakasam, Susan J. Tudhope, David M. Turner, Lan-Zhen Wang, Stephen R Wedge, Christopher Wong, Roger John Griffin, Jane A. Endicott, Celine Cano, "Cyclin-dependent kinase (CDK) inhibitors: structure–activity relationships and insights into the CDK-2 selectivity of 6-substituted 2-arylaminopurines", Journal Of Medicinal Chemistry (2016), DOI: 10.1021/acs.jmedchem.6b01254
- Holly H. Soutter, Paolo Centrella, Matthew A. Clark, John W. Cuozzo, Christoph E. Dumelin, Marie-Aude Guie, Sevan Habeshian, Anthony D. Keefe, Kaitlyn M. Kennedy, Eric A. Sigel, Dawn M. Troast, Ying Zhang, Andrew D. Ferguson, Gareth Davies, Eleanor R. Stead, Jason Breed, Prashanti Madhavapeddi, Jon A. Read, "Discovery of cofactor-specific, bactericidal Mycobacterium tuberculosis InhA inhibitors using DNA-encoded library technology", Proceedings Of The National Academy Of Sciences, 113, E7880 - E7889 (2016), DOI: 10.1073/pnas.1610978113
- Fadi Soukarieh, Matthew Nowicki, Amandine Bastide, Tuija Pöyry, Carolyn Jones, Kate Dudek, Geetanjali Patwardhan, François Meullenet, Neil J. Oldham, Malcolm D. Walkinshaw, Anne E. Willis, Peter M. Fischer, "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, 200 - 217 (2016), DOI: 10.1016/j.ejmech.2016.08.047
- [Thesis] Martin Schafer, "Functional and structural analysis of the angucyclinone ketoreductase SimC7" (2016)
- Julia Muenzner, Linton M. Traub, Bernard T. Kelly, Stephen Graham, "Cellular and viral peptides bind multiple sites on the N-terminal domain of clathrin", Traffic (2016), DOI: 10.1111/tra.12457
- Apirat Chaikuad, Julien Diharce, Martin Schroeder, Alicia Foucourt, Bertrand Leblond, Anne-Sophie Casagrande, Laurent Désiré, Pascal Bonnet, Stefan Knapp, Thierry Besson, "An unusual binding model of the methyl 9-anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) confers high selectivity for dual-specificity tyrosine phosphorylation-regulated kinases", Journal Of Medicinal Chemistry, 59, 10315 - 10321 (2016), DOI: 10.1021/acs.jmedchem.6b01083
- 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
- Mary Ortmayer, Pierre Lafite, Binuraj R. K. Menon, Tewes Tralau, Karl Fisher, Lukas Denkhaus, Nigel S. Scrutton, Stephen E. J. Rigby, Andrew W. Munro, Sam Hay, David Leys, "An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme", Nature, 539, 593 - 597 (2016), DOI: 10.1038/nature20159
- Julianty Frost, Carles Galdeano, Pedro Soares, Morgan S. Gadd, Katarzyna M. Grzes, Lucy Ellis, Ola Epemolu, Satoko Shimamura, Marcus Bantscheff, Paola Grandi, Kevin D. Read, Doreen A. Cantrell, Sonia Rocha, Alessio Ciulli, "Potent and selective chemical probe of hypoxic signalling downstream of HIF-α hydroxylation via VHL inhibition", Nature Communications, 7 (2016), DOI: 10.1038/ncomms13312
- Tommaso Moschetti, Timothy Sharpe, Gerhard Fischer, May E. Marsh, Hong Kin Ng, Matthew Morgan, Duncan E. Scott, Tom L. Blundell, Ashok R. Venkitaraman, John Skidmore, Chris Abell, Marko Hyvonen, "Engineering archeal surrogate systems for the development of protein–protein interaction inhibitors against human RAD51", Journal Of Molecular Biology, 428, 4589 - 4607 (2016), DOI: 10.1016/j.jmb.2016.10.009
- Christopher Adamson, Robert J. Pengelly, Saeideh Shamsi Kazem Abadi, Saswati Chakladar, Jason Draper, Robert Britton, Tracey M. Gloster, Andrew J. Bennet, "Structural snapshots for mechanism-based inactivation of a glycoside hydrolase by cyclopropyl carbasugars", Angewandte Chemie International Edition, 55, 14978 - 14982 (2016), DOI: 10.1002/anie.201607431
- Anibal Cuetos, Fabian Steffen-Munsberg, Juan Mangas sanchez, Amina Frese, Uwe T. Bornscheuer, Matthias Höhne, Gideon Grogan, "Structural basis for phospholyase activity of a class III transaminase homologue", Chembiochem (2016), DOI: 10.1002/cbic.201600482
- Greg Mann, Liujie Huo, Sebastian Adam, Brunello Nardone, Jeremie Vendome, Nicholas James Westwood, Rolf Müller, Jesko Koehnke, "Structure and substrate recognition of the bottromycin maturation enzyme BotP", Chembiochem (2016), DOI: 10.1002/cbic.201600406
- Karl Syson, Clare E. M. Stevenson, Farzana Miah, J. Elaine Barclay, Minhong Tang, Andrii Gorelik, Abdul M. Rashid, David M. Lawson, Stephen Bornemann, "Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of streptomyces coelicolor maltosyltransferase GlgE*", Journal Of Biological Chemistry, 291, 21531 - 21540 (2016), DOI: 10.1074/jbc.M116.748160
- Rhys Grinter, Inokentijs Josts, Khedidja Mosbahi, Aleksander W. Roszak, Richard J. Cogdell, Alexandre M. J. J. Bonvin, Joel J. Milner, Sharon M. Kelly, Olwyn Byron, Brian O. Smith, Daniel Walker, "Structure of the bacterial plant-ferredoxin receptor FusA", Nature Communications, 7 (2016), DOI: 10.1038/ncomms13308
- Vassilios Myrianthopoulos, Nicolas Gaboriaud-Kolar, Cynthia Tallant, Michelle-Lynn Hall, Stylianos Grigoriou, Peter Moore Brownlee, Oleg Fedorov, Catherine Rogers, David Heidenreich, Marek Wanior, Nikolaos Drosos, Nikitia Mexia, Pavel Savitsky, Tina Bagratuni, Efstathios Kastritis, Evangelos Terpos, Panagis Filippakopoulos, Susanne Müller, Alexios-Leandros Skaltsounis, Jessica Ann Downs, Stefan Knapp, Emmanuel Mikros, "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, 8787 - 8803 (2016), DOI: 10.1021/acs.jmedchem.6b00355
- Melissa V. Gammons, Miha Renko, Christopher M. Johnson, Trevor J. Rutherford, Mariann Bienz, "Wnt signalosome assembly by dep domain swapping of dishevelled", Molecular Cell, 64, 92 - 104 (2016), DOI: 10.1016/j.molcel.2016.08.026
- Alan M. Jones, Isaac M. Westwood, James D. Osborne, Thomas P. Matthews, Matthew D. Cheeseman, Martin G. Rowlands, Fiona Jeganathan, Rosemary Burke, Diane Lee, Nadia Kadi, Manjuan Liu, Meirion Richards, Craig Mcandrew, Norhakim Yahya, Sarah Dobson, Keith Jones, Paul Workman, Ian Collins, Rob L. M. Van Montfort, "A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms", Scientific Reports, 6 (2016), DOI: 10.1038/srep34701
- Jakob Gebel, Laura M. Luh, Daniel Coutandin, Christian Osterburg, Frank Löhr, Birgit Schäfer, Ann-Sophie Frombach, Manuela Sumyk, Lena Buchner, Tobias Krojer, Eidarus Salah, Sebastian Mathea, Peter Güntert, Stefan Knapp, Volker Dötsch, "Mechanism of TAp73 inhibition by ΔNp63 and structural basis of p63/p73 hetero-tetramerization", Cell Death And Differentiation, 23, 1930 - 1940 (2016), DOI: 10.1038/cdd.2016.83
- Grzegorz J. Grabe, Yue Zhang, Michal Przydacz, Nathalie Rolhion, Yi Yang, Jonathan N. Pruneda, David Komander, David W. Holden, Stephen A. Hare, "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 (2016), DOI: 10.1074/jbc.M116.752782
- Tiankun Zhou, Jennifer R. Fleming, Barbara Franke, Julijus Bogomolovas, Igor Barsukov, Daniel J. Rigden, Siegfried Labeit, Olga Mayans, "CARP interacts with titin at a unique helical N2A sequence and at the domain Ig81 to form a structured complex", Febs Letters (2016), DOI: 10.1002/1873-3468.12362
- James T. Macdonald, Burak V. Kabasakal, David Godding, Sebastian Kraatz, Louie Henderson, James Barber, Paul Freemont, James W. Murray, "Synthetic beta-solenoid proteins with the fragment-free computational design of a beta-hairpin extension", Proceedings Of The National Academy Of Sciences, 113, 10346 - 10351 (2016), DOI: 10.1073/pnas.1525308113
- Joane K. Rustiguel, Ricardo O. S. Soares, Steve P. Meisburger, Katherine M. Davis, Kristina L. Malzbender, Nozomi Ando, Marcelo Dias-Baruffi, Maria Cristina Nonato, "Full-length model of the human galectin-4 and insights into dynamics of inter-domain communication", Scientific Reports, 6 (2016), DOI: 10.1038/srep33633
- Yaw Sing Tan, Judith Reeks, Christopher J. Brown, Dawn Thean, Fernando Jose Ferrer Gago, Tsz Ying Yuen, Eunice Tze Leng Goh, Xue Er Cheryl Lee, Claire E. Jennings, Thomas L. Joseph, Rajamani Lakshminarayanan, David P. Lane, Martin E. M. Noble, Chandra S. Verma, "Benzene probes in molecular dynamics simulations reveal novel binding sites for ligand design", The Journal Of Physical Chemistry Letters, 7, 3452 - 3457 (2016), DOI: 10.1021/acs.jpclett.6b01525
- Ángela Rodríguez-Cárdenas, Adriana L. Rojas, María Conde-Giménez, Adrián Velázquez-Campoy, Ramon Hurtado-Guerrero, Javier Sancho, "Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target", Plos One, 11 (2016), DOI: 10.1371/journal.pone.0161020
- Cecilia Pozzi, Filomena De Luca, Manuela Benvenuti, Laurent Poirel, Patrice Nordmann, Gian Maria Rossolini, Stefano Mangani, Jean-Denis Docquier, "Crystal structure of the Pseudomonas aeruginosa bel-1 extended-spectrum β-lactamase and its complexes with moxalactam and imipenem", Antimicrobial Agents And Chemotherapy (2016), DOI: 10.1128/AAC.00936-16
- Javier O. Cifuente, Natalia Comino, Julene Madariaga-Marcos, Sonia López-Fernández, Mikel García-Alija, Jon Agirre, David Albesa-Jove, Marcelo E. Guerin, "Structural basis of glycogen biosynthesis regulation in bacteria", Structure, 24, 1613 - 1622 (2016), DOI: 10.1016/j.str.2016.06.023
- Martin Schafer, Clare E. M. Stevenson, Barrie Wilkinson, David M. Lawson, Mark J. Buttner, "Substrate-assisted catalysis in polyketide reduction proceeds via a phenolate intermediate", Cell Chemical Biology (2016), DOI: 10.1016/j.chembiol.2016.07.018
- Christian Molitor, Aleksandar Bijelic, Annette Rompel, "In situ formation of the first proteinogenically functionalized [TeW6O24O2(Glu)]7− structure reveals unprecedented chemical and geometrical features of the Anderson-type cluster", Chemical Communications, 52, 12286 - 12289 (2016), DOI: 10.1039/C6CC07004C
- Ivan Laponogov, Xiao-Su Pan, Dennis A. Veselkov, Ryan T. Cirz, Allan Wagman, Heinz E. Moser, L. Mark Fisher, Mark R. Sanderson, "Exploring the active site of the Streptococcus pneumoniae topoisomerase IV–DNA cleavage complex with novel 7,8-bridged fluoroquinolones", Open Biology, 6 (2016), DOI: 10.1098/rsob.160157
- David C. Briggs, Takako Yoshida-Moriguchi, Tianqing Zheng, David Venzke, Mary E. Anderson, Andrea Strazzulli, Marco Moracci, Liping Yu, Erhard Hohenester, Kevin P Campbell, "Structural basis of laminin binding to the LARGE glycans on dystroglycan", Nature Chemical Biology (2016), DOI: 10.1038/nchembio.2146
- Alessandro T. Caputo, Dominic S. Alonzi, Lucia Marti, Ida-Barbara Reca, John Kiappes, Weston B. Struwe, Alice Cross, Souradeep Basu, Ed Lowe, Benoit Darlot, Angelo Santino, Pietro Roversi, Nicole Zitzmann, "Structures of mammalian ER α-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals", Proceedings Of The National Academy Of Sciences, 113, E4630 - E4638 (2016), DOI: 10.1073/pnas.1604463113
- Amit Nathubhai, Teemu Haikarainen, Penelope C. Hayward, Silvia Muñoz-Descalzo, Andrew S. Thompson, Matthew D. Lloyd, Lari Lehtiö, Michael D. Threadgill, "Structure-activity relationships of 2-arylquinazolin-4-ones as highly selective and potent inhibitors of the tankyrases", European Journal Of Medicinal Chemistry, 118, 316 - 327 (2016), DOI: 10.1016/j.ejmech.2016.04.041
- Aurore Labourel, Lucy I. Crouch, Joana L. A. Brás, Adam Jackson, Artur Rogowski, Joseph Gray, Madhav P. Yadav, Bernard Henrissat, Carlos M. G. A. Fontes, Harry J. Gilbert, Shabir Najmudin, Arnaud Basle, Fiona Cuskin, "The mechanism by which arabinoxylanases can recognise highly decorated xylans", Journal Of Biological Chemistry (2016), DOI: 10.1074/jbc.M116.743948
- Rasheduzzaman Chowdhury, Ivanhoe K. H. Leung, Ya-Min Tian, Martine I. Abboud, Wei Ge, Carmen Domene, François-Xavier Cantrelle, Isabelle Landrieu, Adam P. Hardy, Christopher W. Pugh, Peter J. Ratcliffe, Timothy D. W. Claridge, Christopher J. Schofield, "Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases", Nature Communications, 7 (2016), DOI: 10.1038/ncomms12673
- Youxin Kong, Bert J. C. Janssen, Tomas Malinauskas, Vamshidhar r. Vangoor, Charlotte Coles, Rainer Kaufmann, Tao Ni, Robert J. C. Gilbert, Sergi Padilla-Parra, R. jeroen Pasterkamp, E. yvonne Jones, "Structural basis for plexin activation and regulation", Neuron, 91, 548 - 560 (2016), DOI: 10.1016/j.neuron.2016.06.018
- Gustavo F. Mercaldi, Alice Dawson, Willian N. Hunter, Artur Cordeiro, "The structure of a Trypanosoma cruzi glucose-6-phosphate dehydrogenase reveals differences from the mammalian enzyme", Febs Letters, 590, 2776 - 2786 (2016), DOI: 10.1002/1873-3468.12276
- Judith E. Unterlass, Arnaud Basle, Timothy J. Blackburn, Julie Tucker, Céline Cano, Martin E. M. Noble, Nicola J. Curtin, "Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer", Oncotarget (2016), DOI: 10.18632/oncotarget.11487
- Alvin Kung, Ying-Chu Chen, Marianne Schimpl, Feng Ni, Jianfa Zhu, Maurice Turner, Henrik Molina, Ross Overman, Chao Zhang, "Development of specific, irreversible inhibitors for a receptor tyrosine kinase EphB3", Journal Of The American Chemical Society, 138, 10554 - 10560 (2016), DOI: 10.1021/jacs.6b05483
- [Diamond Annual Review Highlight] Diamond Light Source, "Insights into Parkinson's disease from crystal structures of Parkin" (2016)
- Paul Brear, Claudia De Fusco, Kathy Hadje Georgiou, Nicola J. Francis-Newton, Christopher J. Stubbs, Hannah F. Sore, Ashok R. Venkitaraman, Chris Abell, David R. Spring, Marko Hyvonen, "Specific inhibition of CK2α from an anchor outside the active site", Chemical Science (2016), DOI: 10.1039/C6SC02335E
- David Pulido, David C. Briggs, Jinwen Hua, Erhard Hohenester, "Crystallographic analysis of the laminin β2 short arm reveals how the LF domain is inserted into a regular array of LE domains", Matrix Biology (2016), DOI: 10.1016/j.matbio.2016.06.006
- Jonathan Elegheert, W. Kakegawa, J. Clay, N. F. Shanks, E. Behiels, K. Matsuda, K. Kohda, E. Miura, M. Rossmann, Nikolaos Mitakidis, J. Motohashi, Veronica T. Chang, Christian Siebold, Ingo H. Greger, Terunaga Nakagawa, M. Yuzaki, A. Radu Aricescu, "Structural basis for integration of GluD receptors within synaptic organizer complexes", Science, 353, 295 - 299 (2016), DOI: 10.1126/science.aae0104
- Selena G. Burgess, Arkadiusz Oleksy, Tommaso Cavazza, Mark W. Richards, Isabelle Vernos, David Matthews, Richard Bayliss, "Allosteric inhibition of Aurora-A kinase by a synthetic vNAR domain", Open Biology, 6 (2016), DOI: 10.1098/rsob.160089
- 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
- Anna Stavrinides, Evangelos C. Tatsis, Lorenzo Caputi, Emilien Foureau, Clare E. M. Stevenson, David M. Lawson, Vincent Courdavault, Sarah E. O'Connor, "Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity", Nature Communications, 7 (2016), DOI: 10.1038/ncomms12116
- Antonio Galindo, Nicolas Soler, Stephen h. Mclaughlin, Minmin Yu, Roger Williams, Sean Munro, "Structural insights into Arl1-mediated targeting of the Arf-GEF BIG1 to the trans-Golgi", Cell Reports, 16, 839 - 850 (2016), DOI: 10.1016/j.celrep.2016.06.022
- Angela M. Cheverton, Bridget Gollan, Michal Przydacz, Chi T. Wong, Anastasia Mylona, Stephen A. Hare, Sophie Helaine, "A Salmonella toxin promotes persister formation through acetylation of tRNA", Molecular Cell, 63, 86 - 96 (2016), DOI: 10.1016/j.molcel.2016.05.002
- Jonathan N. Pruneda, Charlotte H. Durkin, Paul P. Geurink, Huib Ovaa, Balaji Santhanam, David W. Holden, David Komander, "The molecular basis for ubiquitin and ubiquitin-like specificities in bacterial effector proteases", Molecular Cell, 63, 261 - 276 (2016), DOI: 10.1016/j.molcel.2016.06.015
- Felix Martin Ferroni, Carmien Tolmie, Martha Sophia Smit, Diederik Opperman, "Structural and catalytic characterization of a fungal Baeyer-Villiger monooxygenase", Plos One, 11 (2016), DOI: 10.1371/journal.pone.0160186
- Philip Hinchliffe, Mariano M. González, Maria F. Mojica, Javier M. González, Valerie Castillo, Cecilia Saiz, Magda Kosmopoulou, Catherine Tooke, Leticia I. Llarrull, Graciela Mahler, Robert A. Bonomo, Alejandro J. Vila, Jim Spencer, "Cross-class metallo-β-lactamase inhibition by bisthiazolidines reveals multiple binding modes", Proceedings Of The National Academy Of Sciences, 113, E3745 - E3754 (2016), DOI: 10.1073/pnas.1601368113
- Lin Huang, Jia Wang, David Lilley, "A critical base pair in k-turns determines the conformational class adopted, and correlates with biological function", Nucleic Acids Research, 44, 5390 - 5398 (2016), DOI: 10.1093/nar/gkw201
- S. B. Carr, R. M. Evans, E. J. Brooke, S. A. M. Wehlin, E. Nomerotskaia, F. Sargent, F. A. Armstrong, S. E. V. Phillips, "Hydrogen activation by [NiFe]-hydrogenases", Biochemical Society Transactions, 44, 863 - 868 (2016), DOI: 10.1042/BST20160031
- Louise J. Walport, Richard J. Hopkinson, Rasheduzzaman Chowdhury, Rachel Schiller, Wei Ge, Akane Kawamura, Christopher J. Schofield, "Arginine demethylation is catalysed by a subset of JmjC histone lysine demethylases", Nature Communications, 7 (2016), DOI: 10.1038/ncomms11974
- Antônio Marinho Da Silva Neto, Juliana Roberta Torini De Souza, Larissa Romanelo, Alexandre Cassago, Vitor Hugo Balasco Serrão, Ricardo Demarco, José Brandão-Neto , Richard Charles Garratt, Humberto D’ Muniz Pereira, "Analysis of two Schistosoma mansoni Uridine Phosphorylases isoforms suggests the emergence of a protein with a non-canonical function", Biochimie, 125, 12–22 (2016), DOI: 10.1016/j.biochi.2016.02.007
- Immacolata Venditto, Ana S. Luis, Maja Rydahl, Julia Schückel, Vânia O. Fernandes, Silvia Vidal-Melgosa, Pedro Bule, Arun Goyal, Virginia M. R. Pires, Catarina G. Dourado, Luís M. A. Ferreira, Pedro M. Coutinho, Bernard Henrissat, J. Paul Knox, Arnaud Baslé, Shabir Najmudin, Harry J. Gilbert, William G. T. Willats, Carlos M. G. A. Fontes, "Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition", Proceedings Of The National Academy Of Sciences, 113, 7136 - 7141 (2016), DOI: 10.1073/pnas.1601558113
- Li Ma, Perunthottathu k. Umasankar, Antoni G. Wrobel, Anastasia Lymar, Airlie J. Mccoy, Sachin s. Holkar, Anupma Jha, Tirthadipa Pradhan-Sundd, Simon c. Watkins, David J. Owen, Linton m. Traub, "Transient Fcho1/2⋅Eps15/R⋅AP-2 nanoclusters prime the AP-2 clathrin adaptor for cargo binding", Developmental Cell, 37, 428 - 443 (2016), DOI: 10.1016/j.devcel.2016.05.003
- Elizabeth Fullam, Ivan Prokes, Klaus Futterer, Gurdyal S. Besra, "Structural and functional analysis of the solute-binding protein UspC from Mycobacterium tuberculosis that is specific for amino sugars", Open Biology, 6 (2016), DOI: 10.1098/rsob.160105
- Matej Janeček, Maxim Rossmann, Pooja Sharma, Amy Emery, David J. Huggins, Simon R. Stockwell, Jamie E. Stokes, Yaw S. Tan, Estrella Guarino Almeida, Bryn Hardwick, Ana Narvaez, Marko Hyvonen, David R. Spring, Grahame J. Mckenzie, Ashok R. Venkitaraman, "Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2", Scientific Reports, 6 (2016), DOI: 10.1038/srep28528
- Darja Lavogina, Katrin Kestav, Apirat Chaikuad, Christina Heroven, Stefan Knapp, Asko Uri, "Co-crystal structures of the protein kinase haspin with bisubstrate inhibitors", Acta Crystallographica Section F Structural Biology Communications, 72 (2016), DOI: 10.1107/S2053230X16004611
- Daniel Raines, Olga Moroz, Elena Blagova, Johan Turkenburg, Keith Wilson, Anne Duhme- Klair, "Bacteria in an intense competition for iron: Key component of the Campylobacter jejuni iron uptake system scavenges enterobactin hydrolysis product", Proceedings Of The National Academy Of Sciences (2016), DOI: 10.1073/pnas.1520829113
- Matthew D. Cheeseman, Isaac Westwood, Olivier Barbeau, Martin Rowlands, Sarah Dobson, Alan M. Jones, Fiona Jeganathan, Rosemary Burke, Nadia Kadi, Paul Workman, Ian Collins, Rob Van Montfort, Keith Jones, "Exploiting protein conformational change to optimize adenosine-derived inhibitors of HSP70", Journal Of Medicinal Chemistry (2016), DOI: 10.1021/acs.jmedchem.5b02001
- Catrine Johansson, Velupillai Srikannathasan, Anthony Tumber, Aleksandra Szykowska, Edward S. Hookway, Radoslaw Nowak, Claire Strain-Damerell, Carina Gileadi, Martin Philpott, Nicola Burgess-Brown, Na Wu, Jolanta Kopec, Andrea Nuzzi, Holger Steuber, Ursula Egner, Volker Badock, Shonagh Munro, Nicholas B Lathangue, Sue Westaway, Jack Brown, Nick Athanasou, Rab Prinjha, Paul E Brennan, Udo Oppermann, "Structural analysis of human KDM5B guides histone demethylase inhibitor development", Nature Chemical Biology (2016), DOI: 10.1038/nchembio.2087
- Monique P. C. Mulder, Katharina Witting, Ilana Berlin, Jonathan N. Pruneda, Kuen-Phon Wu, Jer-Gung Chang, Remco Merkx, Johanna Bialas, Marcus Groettrup, Alfred C. O. Vertegaal, Brenda A Schulman, David Komander, Jacques Neefjes, Farid El Oualid, Huib Ovaa, "A cascading activity-based probe sequentially targets E1–E2–E3 ubiquitin enzymes", Nature Chemical Biology, 12, 523 - 530 (2016), DOI: 10.1038/nchembio.2084
- Matthew J. Byrne, Nicholas R. Lees, Li-Chen Han, Marc W. Van Der Kamp, Adrian J. Mulholland, James E. M. Stach, Christine L. Willis, Paul R. Race, "The catalytic mechanism of a natural Diels–Alderase revealed in molecular detail", Journal Of The American Chemical Society, 138, 6095 - 6098 (2016), DOI: 10.1021/jacs.6b00232
- Tao Ni, Karl Harlos, Robert J. C. Gilbert, "Structure of astrotactin-2: a conserved vertebrate-specific and perforin-like membrane protein involved in neuronal development", Open Biology, 6 (2016), DOI: 10.1098/rsob.160053
- David Cole, Anna Bulek, Garry Dolton, Andrea J. Schauenberg, Barbara Szomolay, William Rittase, Andrew Trimby, Prithiviraj Jothikumar, Anna Fuller, Ania Skowera, Jamie Rossjohn, Cheng Zhu, John Miles, Mark Peakman, Linda Wooldridge, Pierre Rizkallah, Andrew K. Sewell, "Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity", Journal Of Clinical Investigation, 126, 2191 - 2204 (2016), DOI: 10.1172/JCI85679
- Gitte Meriläinen, M. Kristian Koski, Rik K. Wierenga, "The extended structure of the periplasmic region of CdsD, a structural protein of the type III secretion system of Chlamydia trachomatis", Protein Science, 25, 987 - 998 (2016), DOI: 10.1002/pro.2906
- [Thesis] Jaelle Foot, "Structural investigation of the STAR protein Sam68" (2016)
- Brian D. Stadinski, Reinhard Obst, Eric S. Huseby, "A "hotspot" for autoimmune T cells in type 1 diabetes", Journal Of Clinical Investigation, 126, 2040 - 2042 (2016), DOI: 10.1172/JCI88165
- Paolo Innocenti, Hannah L. Woodward, Savade Solanki, Sébastien Naud, Isaac Westwood, Nora Cronin, Angela Hayes, Jennie Roberts, Alan T. Henley, Ross Baker, Amir Faisal, Grace Wing-Yan Mak, Gary Box, Melanie Valenti, Alexis De Haven Brandon, Lisa O’ Fee, Harry Saville, Jessica Schmitt, Berry Matijssen, Rosemary Burke, Rob Van Montfort, Florence I. Raynaud, Suzanne A. Eccles, Spiros Linardopoulos, Julian Blagg, Swen Hoelder, "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 (2016), DOI: 10.1021/acs.jmedchem.5b01811
- Dennis Veselkov, Ivan Laponogov, Xiao-Su Pan, Jogitha Selvarajah, Galyna Skamrova, Arthur Branstrom, Jana Narasimhan, Josyula V. N. Vara Prasad, L. Mark Fisher, Mark Sanderson, "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, 488 - 496 (2016), DOI: 10.1107/S2059798316001212
- Verity A. Jackson, Shahid Mehmood, Matthieu Chavent, Pietro Roversi, Maria Carrasquero, Daniel Del Toro, Goenuel Seyit-Bremer, Fanomezana M. Ranaivoson, Davide Comoletti, Mark S. P. Sansom, Carol V. Robinson, Rüdiger Klein, Elena Seiradake, "Super-complexes of adhesion GPCRs and neural guidance receptors", Nature Communications, 7 (2016), DOI: 10.1038/ncomms11184
- Tom Northey, Herbert Venthur, Filomena De Biasio, Francois Xavier Chauviac, Ambrose Cole, Karlos Antonio Lisboa Ribeiro, Gerarda Grossi, Patrizia Falabella, Linda M. Field, Nicholas H. Keep, Jing-Jiang Zhou, "Crystal structures and binding dynamics of odorant-binding protein 3 from two aphid species Megoura viciae and Nasonovia ribisnigri", Scientific Reports, 6 (2016), DOI: 10.1038/srep24739
- Bert Van Den Berg, Anupama Chembath, Damien Jefferies, Arnaud Basle, Syma Khalid, Julian C. Rutherford, "Structural basis for Mep2 ammonium transceptor activation by phosphorylation", Nature Communications, 7 (2016), DOI: 10.1038/ncomms11337
- B. Herguedas Frances, J. Garcia-Nafria, O. Cais, R. Fernandez-Leiro, J. Krieger, H. Ho, I. H. Greger, "Structure and organization of heteromeric AMPA-type glutamate receptors", Science (2016), DOI: 10.1126/science.aad3873
- Christian Molitor, Stephan Mauracher, Annette Rompel, "Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases", Proceedings Of The National Academy Of Sciences, 113 (13), E1806 - E1815 (2016), DOI: 10.1073/pnas.1523575113
- Veronica T. Chang, Ricardo A. Fernandes, Kristina A. Ganzinger, Steven F. Lee, Christian Siebold, James Mccoll, Peter Jönsson, Matthieu Palayret, Karl Harlos, Charlotte H. Coles, Edith Jones, Yuan Lui, Elizabeth Huang, Robert J. C. Gilbert, David Klenerman, A. Radu Aricescu, Simon J. Davis, "Initiation of T cell signaling by CD45 segregation at 'close contacts'", Nature Immunology (2016), DOI: 10.1038/ni.3392
- Harshnira Patani, Tom D. Bunney, Nethaji Thiyagarajan, Richard A. Norman, Derek Ogg, Jason Breed, Paul Ashford, Andrew Potterton, Mina Edwards, Sarah V. Williams, Gary S. Thomson, Camilla S. M. Pang, Margaret A. Knowles, Alexander L. Breeze, Christine Orengo, Chris Phillips, Matilda Katan, "Landscape of activating cancer mutations in FGFR kinases and their differential responses to inhibitors in clinical use", Oncotarget (2016), DOI: 10.18632/oncotarget.8132
- [Thesis] Caroline C. Smallcombe, "Structural studies of the recognition of bacterial lipopolysaccharides by human surfactant protein-D" (2016)
- Howard W. Clark, Rose-Marie Mackay, Mary E. Deadman, Derek W. Hood, Jens Madsen, E. Richard Moxon, J. Paul Townsend, Kenneth B. M. Reid, Abdul Ahmed, Amy J. Shaw, Trevor J. Greenhough, Annette K. Shrive, "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 (2016), DOI: 10.1128/IAI.01239-15
- Gaetano Speciale, Yi Jin, Gideon Davies, Spencer J Williams, Ethan D. Goddard-Borger, "YihQ is a sulfoquinovosidase that cleaves sulfoquinovosyl diacylglyceride sulfolipids", Nature Chemical Biology, 12, 215 - 217 (2016), DOI: 10.1038/nchembio.2023
- Bernie Kelly, Stephen C. Graham, David Owen, "Using selenomethionyl derivatives to assign sequence in low-resolution structures of the AP2 clathrin adaptor", Acta Crystallographica Section D Structural Biology, 72, 336 - 345 (2016), DOI: 10.1107/S2059798315021580
- Santiago Schiaffino-Ortega, Eleonora Baglioni, Elena Mariotto, Roberta Bortolozzi, Lucía Serran Aguilera, Pablo Ríos-Marco, M. Paz Carrasco-Jimenez, Miguel A. Gallo, Ramon Hurtado-Guerrero, Carmen Marco, Giuseppe Basso, Giampietro Viola, Antonio Entrena, Luisa Carlota López-Cara, "Design, synthesis, crystallization and biological evaluation of new symmetrical biscationic compounds as selective inhibitors of human Choline Kinase α1 (ChoKα1)", Scientific Reports, 6 (2016), DOI: 10.1038/srep23793
- Jason B. Cross, Jing Zhang, Qingyi Yang, Michael F. Mesleh, Jan Antoinette C. Romero, Bin Wang, Doug Bevan, Katherine M. Poutsiaka, Felix Epie, Terence Moy, Anu Daniel, Joseph Shotwell, Brian Chamberlain, Nicole Carter, Ole Andersen, John Barker, M. Dominic Ryan, Chester A. Metcalf, Jared Silverman, Kien Nguyen, Blaise Lippa, Roland E. Dolle, "Discovery of pyrazolopyridones as a novel class of gyrase B inhibitors using structure guided design", Acs Medicinal Chemistry Letters (2016), DOI: 10.1021/acsmedchemlett.5b00368
- Michael Zahn, Satya prathyusha Bhamidimarri, Arnaud Basle, Mathias Winterhalter, Bert Van Den Berg, "Structural insights into outer membrane permeability of Acinetobacter baumannii", Structure, 24 (2), 221 - 231 (2016), DOI: 10.1016/j.str.2015.12.009
- Michael F. Mesleh, Jason B. Cross, Jing Zhang, Jan Kahmann, Ole A. Andersen, John Barker, Robert K. Cheng, Brunella Felicetti, Michael Wood, Andrea T. Hadfield, Christoph Scheich, Terence I. Moy, Qingyi Yang, Joseph Shotwell, Kien Nguyen, Blaise Lippa, Roland Dolle, M. Dominic Ryan, "Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB", Bioorganic & Medicinal Chemistry Letters, 26 (4), 1314 - 1318 (2016), DOI: 10.1016/j.bmcl.2016.01.009
- Xue Zhi Zhao, Steven J. Smith, Daniel Maskell, Mathieu Metifiot, Valerie Pye, Katherine Fesen, Christophe Marchand, Yves Pommier, Peter Cherepanov, Stephen H. Hughes, Terrence R. Burke, "HIV-1 integrase strand transfer inhibitors with reduced susceptibility to drug resistant mutant integrases", Acs Chemical Biology, 11, 1074–1081 (2016), DOI: 10.1021/acschembio.5b00948
- Fiona Sorrell, Marta Szklarz, Kamal r. Abdul azeez, Jon m. Elkins, Stefan Knapp, "Family-wide structural analysis of human numb- associated protein kinases", Structure (2016), DOI: 10.1016/j.str.2015.12.015
- Aníbal Cuetos, Marina García- Ramos, Eva- Maria Fischereder, Alba Díaz- Rodríguez, Gideon Grogan, Vicente Gotor, Wolfgang Kroutil, Iván Lavandera, "Catalytic promiscuity of transaminases: preparation of enantioenriched β-fluoroamines by formal tandem hydrodefluorination/deamination", Angewandte Chemie International Edition, 55 (9), 3144 - 3147 (2016), DOI: 10.1002/anie.201510554
- Max Renner, Mattia Bertinelli, Cedric Leyrat, G. C. Paesen, Laura Freitas Saraiva De Oliveira, Juha Huiskonen, Jonathan Grimes, "Nucleocapsid assembly in pneumoviruses is regulated by conformational switching of the N protein", Elife, 5 (2016), DOI: 10.7554/eLife.12627
- Claire E. Naylor, Claire Bagneris, Paul G. Decaen, Altin Sula, Antonella Scaglione, David E. Clapham, Bonnie A. Wallace, "Molecular basis of ion permeability in a voltage-gated sodium channel", The Embo Journal, 35 (4), 371 - 457 (2016), DOI: 10.15252/embj.201593285
- Ben Murray, Svetlana V. Antonyuk, Alberto Marina, Shelly C. Lu, Jose M. Mato, S. Samar Hasnain, Adriana Rojas, "Crystallography captures catalytic steps in human methionine adenosyltransferase enzymes", Proceedings Of The National Academy Of Sciences, 113 (8), 2104 - 2109 (2016), DOI: 10.1073/pnas.1510959113
- Jonathan A. G. Cox, Katherine A. Abrahams, Carlos Alemparte, Sonja Ghidelli-Disse, Joaquín Rullas, Iñigo Angulo-Barturen, Albel Singh, Sudagar S. Gurcha, Vijayashankar Nataraj, Stephen Bethell, Modesto J. Remuiñán, Lourdes Encinas, Peter J. Jervis, Nicholas C. Cammack, Apoorva Bhatt, Ulrich Kruse, Marcus Bantscheff, Klaus Fütterer, David Barros, Lluis Ballell, Gerard Drewes, Gurdyal S. Besra, "THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria", Nature Microbiology, 1 (2016), DOI: 10.1038/nmicrobiol.2015.6
- C. X. Santos, A. D. Hafstad, M. Beretta, M. Zhang, C. Molenaar, J. Kopec, D. Fotinou, T. V. Murray, A. M. Cobb, D. Martin, M. Zeh Silva, N. Anilkumar, K. Schroder, C. M. Shanahan, A. C. Brewer, R. P. Brandes, E. Blanc, M. Parsons, V. Belousov, R. Cammack, R. C. Hider, R. A. Steiner, A. M. Shah, "Targeted redox inhibition of protein phosphatase 1 by Nox4 regulates eIF2 -mediated stress signaling", The Embo Journal (2016), DOI: 10.15252/embj.201592394
- Qian Wu, Atanu Paul, Dan Su, Shahid Mehmood, Tzeh keong Foo, Takashi Ochi, Emma l. Bunting, Bing Xia, Carol v Robinson, Bin Wang, Tom l. Blundell, "Structure of BRCA1-BRCT/Abraxas complex reveals phosphorylation-dependent BRCT dimerization at DNA damage sites", Molecular Cell (2016), DOI: 10.1016/j.molcel.2015.12.017
- Shutian Liang, Ravi Acharya, "Structural basis of substrate specificity in porcine RNase 4", Febs Journal (2016), DOI: 10.1111/febs.13646
- Vassilios Bavetsias, Rachel M. Lanigan, Gian Filippo Ruda, Butrus Atrash, Mark G. Mclaughlin, Anthony Tumber, N. Yi Mok, Yann-Vaï Le Bihan, Sally Dempster, Katherine J. Boxall, Fiona Jeganathan, Stephanie B. Hatch, Pavel Savitsky, Velupillai Srikannathasan, Tobias Krojer, Katherine S. England, Jimmy Sejberg, Ching Thai, Adam Donovan, Akos Pal, "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) (2016), DOI: 10.1021/acs.jmedchem.5b01635
- Jonathan Taylor, Gabrielle Taylor, Stephen A. Hare, Steve Matthews, "Structures of the DfsB protein family suggest a cationic, helical sibling lethal factor peptide", Journal Of Molecular Biology (2016), DOI: 10.1016/j.jmb.2016.01.013
- Kristof Moonens, Pär Gideonsson, Suresh Subedi, Jeanna Bugaytsova, Ema Romaõ, Melissa Mendez, Jenny Nordén, Mahsa Fallah, Lena Rakhimova, Anna Shevtsova, Martina Lahmann, Gaetano Castaldo, Kristoffer Brännström, Fanny Coppens, Alvin W Lo, Tor Ny, Jay v Solnick, Guy Vandenbussche, Stefan Oscarson, Lennart Hammarström, Anna Arnqvist, Douglas e Berg, Serge Muyldermans, Thomas Borén, Han Remaut, "Structural insights into polymorphic abo glycan binding by Helicobacter pylori", Cell Host & Microbe, 19, 55 - 66 (2016), DOI: 10.1016/j.chom.2015.12.004
- Dimitra Zarafeta, Dimitrios Kissas, Christopher Sayer, Sóley R. Gudbergsdottir, Efthymios Ladoukakis, Misha Isupov, Aristotelis Chatziioannou, Xu Peng, Jennifer Littlechild, Georgios Skretas, Fragiskos N. Kolisis, Maria Gasset, "Discovery and characterization of a thermostable and highly halotolerant GH5 cellulase from an Icelandic hot spring isolate", Plos One, 11 (2016), DOI: 10.1371/journal.pone.0146454
- Teemu Haikarainen, Jo Waaler, Alexander Ignatev, Yves Nkizinkiko, Harikanth Venkannagari, Ezeogo Obaji, Stefan Krauss, Lari Lehtio, "Development and structural analysis of adenosine site binding tankyrase inhibitors", Bioorganic & Medicinal Chemistry Letters, 26 (2), 328 - 333 (2016), DOI: 10.1016/j.bmcl.2015.12.018
- Jingshan Ren, Joanne E. Nettleship, Alexandra Males, Dave Stuart, Ray Owens, "Crystal structures of penicillin-binding protein 3 in complex with azlocillin and cefoperazone in both acylated and deacylated forms", Febs Letters (2016), DOI: 10.1002/1873-3468.12054
- Irene Russo Krauss, Sneha Ramaswamy, Stephen Neidle, Shozeb Haider, Gary Parkinson, "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) (2016), DOI: 10.1021/jacs.5b10492
- Petar O. Nikiforov, Sachin Surade, Michael Blaszczyk, Vincent Delorme, Priscille Brodin, Alain R. Baulard, Tom L. Blundell, Chris Abell, "A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters", Organic & Biomolecular Chemistry, 14, 2318 - 2326 (2016), DOI: 10.1039/C5OB02630J
- James S. Scott, Andrew Bailey, Robert D. M. Davies, Sébastien L. Degorce, Philip A. Macfaul, Helen Gingell, Thomas Moss, Richard A. Norman, Jennifer H. Pink, Alfred A. Rabow, Bryan Roberts, Peter D. Smith, "Tetrahydroisoquinoline phenols: selective estrogen receptor downregulator antagonists with oral bioavailability in rat", Acs Medicinal Chemistry Letters, 7, 94 - 99 (2016), DOI: 10.1021/acsmedchemlett.5b00413
- Adam Walker, Chun-Wa Chung, Margaret Neu, Manish Burman, Thil Batuwangala, Gavin Jones, Chi-Man Tang, Michael Steward, Michael Mullin, Nadia Tournier, Alan Lewis, Justyna Korczynska, Vicky Chung, Ian Catchpole, "Novel interaction mechanism of a domain antibody based inhibitor of human vascular endothelial growth factor with greater potency than ranibizumab and bevacizumab and improved capacity over aflibercept", Journal Of Biological Chemistry, 291, 5500-5511 (2016), DOI: 10.1074/jbc.M115.691162
- Mikael Feracci, Jaelle Foot, Sushma N. Grellscheid, Marina Danilenko, Ralf Stehle, Oksana Gonchar, Hyun-Seo Kang, Caroline Dalgliesh, N. Helge Meyer, Yilei Liu, Albert Lahat, Michael Sattler, Ian C. Eperon, David J. Elliott, Cyril Dominguez, "Structural basis of RNA recognition and dimerization by the STAR proteins T-STAR and Sam68", Nature Communications, 7 (2016), DOI: 10.1038/ncomms10355
- Stephen B. Carr, Simon E. V. Phillips, Christopher D. Thomas, "Structures of replication initiation proteins from staphylococcal antibiotic resistance plasmids reveal protein asymmetry and flexibility are necessary for replication", Nucleic Acids Research, 44, 2417–2428 (2016), DOI: 10.1093/nar/gkv1539
- Brian J. C. Law, Matthew R. Bennett, Mark L. Thompson, Colin Levy, Sarah A. Shepherd, David Leys, Jason Micklefield, "Effects of active-site modification and quaternary structure on the regioselectivity of catechol-o-methyltransferase", Angewandte Chemie International Edition (2016), DOI: 10.1002/anie.201508287
- Sing Mei Lim, Kit Yeung, Lionel Tresaugues, Teo Hsiang Ling, Pär Nordlund, "The structure and catalytic mechanism of Human Sphingomyelin Phosphodiesterase like 3a - an acid sphingomyelinase homolog with a novel nucleotide hydrolase activity", Febs Journal (2016), DOI: 10.1111/febs.13655
Diamond Light Source is the UK's national synchrotron science facility, located at the Harwell Science and Innovation Campus in Oxfordshire.
Diamond Light Source Ltd
Diamond House
Harwell Science & Innovation Campus
Didcot
Oxfordshire
OX11 0DE
Copyright © Diamond Light Source. Diamond Light Source® and the Diamond logo are registered trademarks of Diamond Light Source Ltd
Registered in England and Wales at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom. Company number: 4375679. VAT number: 287 461 957. Economic Operators Registration and Identification (EORI) number: GB287461957003.