Instruments by Science Group
Macromolecular
Soft Condensed 
Imaging and
Biological
Magnetic
Structures and
Crystallography 
Spectroscopy I04 Contact
Beamline Phone Number:
+44 (0) 1235 778679
Principal Beamline Scientist:
Ralf Flaig
Tel: +44 (0) 1235 778412
E-mail: [email protected]
Science Group Leader
Dave Hall
Email: [email protected]
Tel: +44 (0) 1235 778926
I04 Microfocus MX
Status: Operational
Beamsize: 10 µm x 5 µm - 110 µm x 100 µm
Detector: Eiger2 XE 16M
Wavelength: 0.69 - 2.07 Å
Detector: Eiger2 XE 16M
Wavelength: 0.69 - 2.07 Å
These publications are based on data gathered on beamline I04. If you are aware of any errors or publications that should be listed here, please send details to [email protected].
145 items found for 2017 [total: 2283]
Molecular mechanisms of Bdp1 in TFIIIB assembly and RNA polymerase III transcription initiation Nature Communications, 8 Dec 2017 DOI: 10.1038/s41467-017-00126-1
Inhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine Nature Communications, 8 Dec 2017 DOI: 10.1038/s41467-017-02118-7
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
Molecular mechanism for the subversion of the retromer coat by the Legionella effector RidL Proceedings Of The National Academy Of Sciences, 27 Dec 2017 DOI: 10.1073/pnas.1715361115
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
A charge polarization model for the metal-specific activity of superoxide dismutases Physical Chemistry Chemical Physics, 13 Dec 2017 DOI: 10.1039/C7CP06829H
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
An invisible ubiquitin conformation is required for efficient phosphorylation by PINK1 The Embo Journal, Nov 2017 DOI: 10.15252/embj.201797876
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
Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors Bioorganic & Medicinal Chemistry, Nov 2017 DOI: 10.1016/j.bmc.2017.10.042
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
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
Analysis of the natively unstructured RNA/protein-recognition core in the Escherichia coli RNA degradosome and its interactions with regulatory RNA/Hfq complexes Nucleic Acids Research, Nov 2017 DOI: 10.1093/nar/gkx1083
Crystal structure of NucB, a biofilm-degrading endonuclease Nucleic Acids Research, Nov 2017 DOI: 10.1093/nar/gkx1170
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
The use of fluoroproline in MUC1 antigen enables efficient detection of antibodies in patients with prostate cancer Journal Of The American Chemical Society, Nov 2017 DOI: 10.1021/jacs.7b09447
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
Chemical validation of methionyl-trna synthetase as a druggable target in Leishmania donovani Acs Infectious Diseases, Oct 2017 DOI: 10.1021/acsinfecdis.7b00047
Biochemical and structural characterization of the carbohydrate transport substrate-binding-protein SP0092 Journal Of Visualized Experiments, Oct 2017 DOI: 10.3791/56294
Structural basis for the persistence of homing endonucleases in transcription factor IIB inteins Journal Of Molecular Biology, Oct 2017 DOI: 10.1016/j.jmb.2017.10.016
Journal Paper I04-Macromolecular Crystallography
Introducing site-specific cysteines into nanobodies for mercury labelling allows de novo phasing of their crystal structures Acta Crystallographica Section D Structural Biology, 73 Oct 2017 DOI: 10.1107/S2059798317013171
Disulfide bond formation protects Arabidopsis thaliana glutathione transferase tau 23 from oxidative damage Biochimica Et Biophysica Acta (bba) - General Subjects, Oct 2017 DOI: 10.1016/j.bbagen.2017.10.007
Structural basis for maintenance of bacterial outer membrane lipid asymmetry Nature Microbiology, 70 Oct 2017 DOI: 10.1038/s41564-017-0046-x
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
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
Structure of the large terminase from a hyperthermophilic virus reveals a unique mechanism for oligomerization and ATP hydrolysis Nucleic Acids Research, Oct 2017 DOI: 10.1093/nar/gkx947
Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose Journal Of Biological Chemistry, Oct 2017 DOI: 10.1074/jbc.M117.807768
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
Structure of PINK1 in complex with its substrate ubiquitin Nature, Oct 2017 DOI: 10.1038/nature24645
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
The mystery of allostery Oct 2017
Science Highlight I04-Macromolecular Crystallography
Convergent evolution involving dimeric and trimeric dUTPases in pathogenicity island mobilization Plos Pathogens, 13 Sept 2017 DOI: 10.1371/journal.ppat.1006581
Exploiting the 2-amino-1,3,4-thiadiazole scaffold to inhibit Trypanosoma brucei pteridine reductase in support of early-stage drug discovery Acs Omega, 2 Sept 2017 DOI: 10.1021/acsomega.7b00473
A linear diubiquitin-based probe for efficient and selective detection of the deubiquitinating enzyme OTULIN Cell Chemical Biology, Sept 2017 DOI: 10.1016/j.chembiol.2017.08.006
Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80α dUTPase Scientific Reports, 7 Sept 2017 DOI: 10.1038/s41598-017-11234-9
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
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
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
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
Target identification of Mycobacterium tuberculosis phenotypic hits using a concerted chemogenomic, biophysical, and structural approach Frontiers In Pharmacology, 8 Sept 2017 DOI: 10.3389/fphar.2017.00681
Ubiquitin linkage-specific affimers reveal insights into K6-linked ubiquitin signaling Molecular Cell, Sept 2017 DOI: 10.1016/j.molcel.2017.08.020
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
BTN3A1 discriminates γδ T cell phosphoantigens from non-antigenic small molecules via a conformational sensor in its B30.2 domain Acs Chemical Biology, Sept 2017 DOI: 10.1021/acschembio.7b00694
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
Chimeric 14-3-3 proteins for unraveling interactions with intrinsically disordered partners Scientific Reports, 7 Sept 2017 DOI: 10.1038/s41598-017-12214-9
1.12 Å resolution crystal structure of the catalytic domain of the plasmid-mediated colistin resistance determinant MCR-2 Acta Crystallographica Section F Structural Biology Communications, 73 Aug 2017 DOI: 10.1107/S2053230X17009669
Uncoupling conformational states from activity in an allosteric enzyme Nature Communications, 8 Aug 2017 DOI: 10.1038/s41467-017-00224-0
The key role of glutamate 172 in the mechanism of type II NADH:quinone oxidoreductase of Staphylococcus aureus Biochimica Et Biophysica Acta (bba) - Bioenergetics, Aug 2017 DOI: 10.1016/j.bbabio.2017.08.002
Journal Paper I04-Macromolecular Crystallography
Structural basis of catalysis in the bacterial monoterpene synthases linalool synthase and 1,8-cineole synthase Acs Catalysis, Aug 2017 DOI: 10.1021/acscatal.7b01924
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
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
Structural transitions of the conserved and metastable hantaviral glycoprotein envelope Journal Of Virology, Aug 2017 DOI: 10.1128/JVI.00378-17
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
Studies on the interaction of the histone demethylase KDM5B with tricarboxylic acid cycle intermediates Journal Of Molecular Biology, Aug 2017 DOI: 10.1016/j.jmb.2017.08.007
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Inhibiting mycobacterial tryptophan synthase by targeting the inter-subunit interface Scientific Reports, 7 Aug 2017 DOI: 10.1038/s41598-017-09642-y
Elucidation of molecular mechanisms of polyketide alkaloid biosynthesis Aug 2017
Thesis I03-Macromolecular Crystallography I04-Macromolecular Crystallography
Targeting prolyl-tRNA synthetase to accelerate drug discovery against malaria, leishmaniasis, toxoplasmosis, cryptosporidiosis, and coccidiosis Structure, Aug 2017 DOI: 10.1016/j.str.2017.07.015
Journal Paper I04-Macromolecular Crystallography
Regioselective para-carboxylation of catechols with a prenylated flavin dependent decarboxylase Angewandte Chemie International Edition, Aug 2017 DOI: 10.1002/anie.201708091
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
Thermal sensitivity and flexibility of the Cε3 domains in immunoglobulin E Biochimica Et Biophysica Acta (bba) - Proteins And Proteomics, Aug 2017 DOI: 10.1016/j.bbapap.2017.08.005
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
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
The cubicon method for concentrating membrane proteins in the cubic mesophase Nature Protocols, 12 Aug 2017 DOI: 10.1038/nprot.2017.057
Structures of carboxylic acid reductase reveal domain dynamics underlying catalysis Nature Chemical Biology, 1146 Jul 2017 DOI: 10.1038/nchembio.2434
Cwp2 from Clostridium difficile exhibits an extended three domain fold and cell adhesion in vitro The Febs Journal, Jul 2017 DOI: 10.1111/febs.14157
Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange Nature Communications, 8 Jul 2017 DOI: 10.1038/ncomms16111
An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-α-mannanase inhibitor Chemical Communications, 81 Jul 2017 DOI: 10.1039/C7CC04977C
1,6-cyclophellitol cyclosulfates: a new class of irreversible glycosidase inhibitor Acs Central Science, Jul 2017 DOI: 10.1021/acscentsci.7b00214
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
Delivering selective and cell-active inhibitors of V804M mutant RET kinase through structure-guided drug discovery Cancer Research, 77 Jul 2017 DOI: 10.1158/1538-7445.AM2017-3236
Conference Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Structure-guided optimization of HIV integrase strand transfer inhibitors Journal Of Medicinal Chemistry, Jul 2017 DOI: 10.1021/acs.jmedchem.7b00596
Checking the checkpoint Jul 2017
Science Highlight I04-Macromolecular Crystallography Krios I-Titan Krios I at Diamond
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
Discovery of Allosteric Inhibitors Targeting the Spliceosomal RNA helicase Brr2 Journal Of Medicinal Chemistry, June 2017 DOI: 10.1021/acs.jmedchem.7b00461
Journal Paper I04-Macromolecular Crystallography
Cdt1 stabilizes an open MCM ring for helicase loading Nature Communications, 8 June 2017 DOI: 10.1038/ncomms15720
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
13 C-Carbamylation as a mechanistic probe for the inhibition of class D β-lactamases by avibactam and halide ions Organic & Biomolecular Chemistry, 6 June 2017 DOI: 10.1039/C7OB01514C
Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fiber protein Gp34 Viruses, 9 June 2017 DOI: 10.3390/v9070168
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
Crystal structure of a bacterial L-arabinonate dehydratase contains [2Fe-2S] cluster Acs Chemical Biology, June 2017 DOI: 10.1021/acschembio.7b00304
Journal Paper I04-Macromolecular Crystallography
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
An evolutionarily distinct family of polysaccharide lyases removes rhamnose capping of complex arabinogalactan proteins Journal Of Biological Chemistry, June 2017 DOI: 10.1074/jbc.M117.794578
The malate sensing two-component system MaeKR is a non-canonical class of sensory complex for C4-dicarboxylates Scientific Reports, 7 June 2017 DOI: 10.1038/s41598-017-02900-z
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
New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents Iucrj, 4 May 2017 DOI: 10.1107/S2052252517003475
A chemical-genetic approach to generate selective covalent inhibitors of protein kinases Acs Chemical Biology, May 2017 DOI: 10.1021/acschembio.6b01083
The structure of the guanidine-II riboswitch Cell Chemical Biology, May 2017 DOI: 10.1016/j.chembiol.2017.05.014
Journal Paper I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
The herpes viral transcription factor ICP4 forms a novel DNA recognition complex Nucleic Acids Research, May 2017 DOI: 10.1093/nar/gkx419
Journal Paper B21-High Throughput SAXS I02-Macromolecular Crystallography I04-Macromolecular Crystallography open access
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
Fragment screening against the EthR–DNA interaction by native mass spectrometry Angewandte Chemie International Edition, 277 May 2017 DOI: 10.1002/anie.201702888
Journal Paper I04-Macromolecular Crystallography
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
The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions Plos One, 12 Apr 2017 DOI: 10.1371/journal.pone.0176049
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
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
Remote mutations induce functional changes in active site residues of human DNA polymerase beta Biochemistry, Apr 2017 DOI: 10.1021/acs.biochem.6b01287
Journal Paper I04-Macromolecular Crystallography
Immunoglobulin domain interface exchange as a platform technology for the generation of Fc heterodimers and bispecific antibodies Journal Of Biological Chemistry, Apr 2017 DOI: 10.1074/jbc.M117.782433
Parkin–phosphoubiquitin complex reveals cryptic ubiquitin-binding site required for RBR ligase activity Nature Structural & Molecular Biology, Apr 2017 DOI: 10.1038/nsmb.3400
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
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
Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-β-lactamase inhibition Chemical Communications, 54 Apr 2017 DOI: 10.1039/C7CC02394D
Journal Paper I04-Macromolecular Crystallography
Biophysical and functional characterization of hippocalcin mutants responsible for human dystonia Human Molecular Genetics, Apr 2017 DOI: 10.1093/hmg/ddx133
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structure of the hexagonal surface layer on Caulobacter crescentus cells Nature Microbiology, 2 Apr 2017 DOI: 10.1038/nmicrobiol.2017.59
Journal Paper I04-Macromolecular Crystallography
Chroman-4-one derivatives targeting pteridine reductase 1 and showing anti-parasitic activity Molecules, 22 Mar 2017 DOI: 10.3390/molecules22030426
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
Development of a selective inhibitor of protein arginine deiminase 2 Journal Of Medicinal Chemistry, Mar 2017 DOI: 10.1021/acs.jmedchem.7b00274
Deconvolution of Buparlisib’s mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention Nature Communications, 8 Mar 2017 DOI: 10.1038/ncomms14683
Structure determination of a major facilitator peptide transporter: Inward facing PepTSt from Streptococcus thermophilus crystallized in space group P3121 Plos One, 12 Mar 2017 DOI: 10.1371/journal.pone.0173126
Journal Paper I02-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
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
Structure-enabled discovery of a stapled peptide inhibitor to target the oncogenic transcriptional repressor TLE1 Chemistry - A European Journal, Mar 2017 DOI: 10.1002/chem.201700747
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
Proteolytic properties of single-chain factor XII: a mechanism for triggering contact activation Blood, 129 Mar 2017 DOI: 10.1182/blood-2016-10-744110
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
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
Mechanistic insights into the allosteric regulation of bacterial ADP-glucose pyrophosphorylases Journal Of Biological Chemistry, Feb 2017 DOI: 10.1074/jbc.M116.773408
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural insights unravel the zymogenic mechanism of the virulence factor gingipain K from Porphyromonas gingivalis, a causative agent of gum disease from the human oral microbiome. Journal Of Biological Chemistry, Feb 2017 DOI: 10.1074/jbc.M117.776724
Tetrahydroisoquinoline-7-carboxamide derivatives as new selective discoidin domain receptor 1 (DDR1) inhibitors Acs Medicinal Chemistry Letters, Feb 2017 DOI: 10.1021/acsmedchemlett.6b00497
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases Scientific Reports, 7 Feb 2017 DOI: 10.1038/srep42166
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structure of a lipid A phosphoethanolamine transferase suggests how conformational changes govern substrate binding Proceedings Of The National Academy Of Sciences, Feb 2017 DOI: 10.1073/pnas.1612927114
Journal Paper I02-Macromolecular Crystallography I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Studies on low pH-activated HA2 from Influenza haemagglutinin Feb 2017
Thesis I04-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
Specialized interfaces of Smc5/6 control hinge stability and DNA association Nature Communications, 8 Jan 2017 DOI: 10.1038/ncomms14011
Flexibility in mannan-binding lectin-associated serine proteases-1 and -2 provides insight on lectin pathway activation Structure, Jan 2017 DOI: 10.1016/j.str.2016.12.014
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Binding of myomesin to obscurin-like-1 at the muscle M-band provides a strategy for isoform-specific mechanical protection Structure, 25 Jan 2017 DOI: 10.1016/j.str.2016.11.015
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Production in Pichia pastoris, antifungal activity and crystal structure of a class I chitinase from cowpea (Vigna unguiculata): Insights into sugar binding mode and hydrolytic action Biochimie, Jan 2017 DOI: 10.1016/j.biochi.2017.01.014
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Computational design of experiment unveils the conformational reaction coordinate of GH125 α-mannosidases Journal Of The American Chemical Society, Jan 2017 DOI: 10.1021/jacs.6b11247
Snapshots of the catalytic cycle of the industrial enzyme α-amino-ε-caprolactam racemase (ACLR) observed using X-ray crystallography Acs Catalysis, Jan 2017 DOI: 10.1021/acscatal.6b03056
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Small molecule microarray based discovery of PARP14 inhibitors Angewandte Chemie International Edition, 56 Jan 2017 DOI: 10.1002/anie.201609655
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Design of a biased potent small molecule inhibitor of the bromodomain and PHD finger-containing (BRPF) proteins suitable for cellular and in vivo studies Journal Of Medicinal Chemistry, 60 Jan 2017 DOI: 10.1021/acs.jmedchem.6b01583
Controlled lid-opening in Thermomyces lanuginosus lipase– An engineered switch for studying lipase function Biochimica Et Biophysica Acta (bba) - Proteins And Proteomics, 1865 Jan 2017 DOI: 10.1016/j.bbapap.2016.09.016
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Structural and functional insights into asymmetric enzymatic dehydration of alkenols Nature Chemical Biology, Jan 2017 DOI: 10.1038/nchembio.2271
Structural mechanism underpinning cross-reactivity of a CD8+ T-cell clone that recognizes a peptide derived from human telomerase reverse transcriptase Journal Of Biological Chemistry, 292 Jan 2017 DOI: 10.1074/jbc.M116.741603
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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
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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
The crystal structure of the Sgt1-Skp1 complex: the link between Hsp90 and both SCF E3 ubiquitin ligases and kinetochores Scientific Reports, 7 Jan 2017 DOI: 10.1038/srep41626
A supramolecular assembly mediates lentiviral DNA integration Science, 355 Jan 2017 DOI: 10.1126/science.aah7002
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
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
KSHV SOX mediated host shutoff: the molecular mechanism underlying mRNA transcript processing Nucleic Acids Research, Jan 2017 DOI: 10.1093/nar/gkw1340
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
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