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].
128 items found for 2017 [total: 1244]
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
The design and development of a potent and selective novel diprolyl derivative that binds to the N-domain of angiotensin-I converting enzyme Journal Of Medicinal Chemistry, Dec 2017 DOI: 10.1021/acs.jmedchem.7b01478
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
An allosteric binding site of the α7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine binding protein Journal Of Biological Chemistry, Dec 2017 DOI: 10.1074/jbc.M117.815316
Discovery and optimization of thiazolidinyl- and pyrrolidinyl- derivatives as inhaled PDE4 inhibitors for respiratory diseases Journal Of Medicinal Chemistry, Dec 2017 DOI: 10.1021/acs.jmedchem.7b01044
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides Nature Microbiology, 344 Dec 2017 DOI: 10.1038/s41564-017-0079-1
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
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
6-Substituted quinolines as RORγt inverse agonists Bioorganic & Medicinal Chemistry Letters, 27 Dec 2017 DOI: 10.1016/j.bmcl.2017.10.027
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
Intracellular immunization against HIV infection with an intracellular antibody that mimics HIV integrase binding to the cellular LEDGF protein Scientific Reports, 7 Dec 2017 DOI: 10.1038/s41598-017-16742-2
The SGC beyond structural genomics: redefining the role of 3D structures by coupling genomic stratification with fragment-based discovery Essays In Biochemistry, 61 Nov 2017 DOI: 10.1042/EBC20170051
Structural studies of domain movement in active-site mutants of porphobilinogen deaminase from Bacillus megaterium Acta Crystallographica Section F Structural Biology Communications, 73 Nov 2017 DOI: 10.1107/S2053230X17015436
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Conformational dynamism for DNA interaction in the Salmonella RcsB response regulator Nucleic Acids Research, Nov 2017 DOI: 10.1093/nar/gkx1164
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
The molecular basis of phosphite and hypophosphite recognition by ABC-transporters Nature Communications, 8 Nov 2017 DOI: 10.1038/s41467-017-01226-8
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
New active leads for Tuberculosis booster drugs by structure-based drug discovery Organic & Biomolecular Chemistry, Nov 2017 DOI: 10.1039/C7OB00910K
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Structural insights into the enzymatic activity and potential substrate promiscuity of human 3-phosphoglycerate dehydrogenase (PHGDH) Oncotarget, Nov 2017 DOI: 10.18632/oncotarget.22327
Dual molecular mechanisms govern escape at immunodominant HLA A2-restricted HIV epitope Frontiers In Immunology, 8 Nov 2017 DOI: 10.3389/fimmu.2017.01503
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Biocatalytic routes to enantiomerically enriched dibenz[c,e]azepines Angewandte Chemie International Edition, 56 Nov 2017 DOI: 10.1002/anie.201708453
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
The structure of a conserved domain of TamB reveals a hydrophobic β taco fold Structure, Nov 2017 DOI: 10.1016/j.str.2017.10.002
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
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
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
BamA β6C strand and periplasmic turns are critical for outer membrane protein insertion and assembly Biochemical Journal, Oct 2017 DOI: 10.1042/BCJ20170636
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Synthesis and demonstration of the biological relevance of sp3-rich scaffolds distantly related to natural product frameworks Chemistry - A European Journal, 73 Oct 2017 DOI: 10.1002/chem.201704169
Characterization of a dual function macrocyclase enables design and use of efficient macrocyclization substrates Nature Communications, 8 Oct 2017 DOI: 10.1038/s41467-017-00862-4
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Structural basis for high-affinity adipate binding to AdpC (RPA4515), an orphan periplasmic binding protein from the Tripartite Tricarboxylate Transporter (TTT) family in Rhodopseudomonas palustris The Febs Journal, Oct 2017 DOI: 10.1111/febs.14304
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
A study of the reactivity of S (VI) –F containing warheads with nucleophilic amino-acid side chains under physiological conditions Organic & Biomolecular Chemistry, 15 Oct 2017 DOI: 10.1039/C7OB02028G
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
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
Distinguishing nitro vs nitrito coordination in cytochrome c′ using vibrational spectroscopy and density functional theory Inorganic Chemistry, Oct 2017 DOI: 10.1021/acs.inorgchem.7b01945
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
Combined x-ray crystallography and computational modeling approach to investigate the Hsp90 C-terminal peptide binding to FKBP51 Scientific Reports, 7 Oct 2017 DOI: 10.1038/s41598-017-14731-z
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
Small molecule antagonists of the interaction between the histone deacetylase 6 zinc-finger domain and ubiquitin Journal Of Medicinal Chemistry, Oct 2017 DOI: 10.1021/acs.jmedchem.7b00933
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Characterization of three druggable hot-spots in the Aurora-A/TPX2 interaction using biochemical, biophysical, and fragment-based approaches Acs Chemical Biology, Oct 2017 DOI: 10.1021/acschembio.7b00537
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Structural basis for antibacterial peptide self‐immunity by the bacterial ABC transporter McjD The Embo Journal, Sept 2017 DOI: 10.15252/embj.201797278
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I23-Long wavelength MX open access
Mind the metal: a fragment library-derived zinc impurity binds the E2 ubiquitin-conjugating enzyme Ube2T and induces structural rearrangements Journal Of Medicinal Chemistry, Sept 2017 DOI: 10.1021/acs.jmedchem.7b01071
An improved crystal structure of C-phycoerythrin from the marine cyanobacterium Phormidium sp. A09DM Photosynthesis Research, Sept 2017 DOI: 10.1007/s11120-017-0443-2
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The origins of specificity in the microcin-processing protease TldD/E Structure, Sept 2017 DOI: 10.1016/j.str.2017.08.006
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Mechanism and regulation of the Lys6-selective deubiquitinase USP30 Nature Structural & Molecular Biology, Sept 2017 DOI: 10.1038/nsmb.3475
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Structural snapshots of α-1,3-galactosyltransferase with native substrates: insight into the catalytic mechanism of retaining glycosyltransferases Angewandte Chemie International Edition, Sept 2017 DOI: 10.1002/anie.201707922
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Fragment-based discovery and optimization of enzyme inhibitors by docking of commercial chemical space Journal Of Medicinal Chemistry, Sept 2017 DOI: 10.1021/acs.jmedchem.7b01006
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
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
Transport cycle: As easy as ABC Sept 2017
Science Highlight I04-1-Macromolecular Crystallography (fixed wavelength) I23-Long wavelength MX
Targeting acute pancreatitis Sept 2017
Science Highlight I04-1-Macromolecular Crystallography (fixed wavelength)
Structural analysis of P. falciparum KAHRP and PfEMP1 complexes with host erythrocyte spectrin suggests a model for cytoadherent knob protrusions Plos Pathogens, 13 Aug 2017 DOI: 10.1371/journal.ppat.1006552
Group-based optimization of potent and cell-active inhibitors of the von Hippel–Lindau (VHL) e3 ubiquitin ligase Journal Of Medicinal Chemistry, Aug 2017 DOI: 10.1021/acs.jmedchem.7b00675
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 mechanism for modulation of synaptic neuroligin-neurexin signaling by MDGA proteins Neuron, 95 Aug 2017 DOI: 10.1016/j.neuron.2017.07.040
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase–TPX2 protein–protein interaction Chemical Communications, 53 Aug 2017 DOI: 10.1039/C7CC05379G
Structure of Psb29/Thf1 and its association with the FtsH protease complex involved in photosystem II repair in cyanobacteria Philosophical Transactions Of The Royal Society B: Biological Sciences, 372 Aug 2017 DOI: 10.1098/rstb.2016.0394
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
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
Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases Journal Of Biological Chemistry, Jul 2017 DOI: 10.1074/jbc.M117.790865
Structure and evolution of ENTH and VHS/ENTH-like domains in tepsin Traffic, Jul 2017 DOI: 10.1111/tra.12499
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
1.8 Å resolution crystal structure of the carbapenem intrinsic resistance protein CarF Acta Crystallographica Section D Structural Biology, 73 Jul 2017 DOI: 10.1107/S2059798317002236
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
How members of the human gut microbiota overcome the sulfation problem posed by glycosaminoglycans Proceedings Of The National Academy Of Sciences, 114 Jul 2017 DOI: 10.1073/pnas.1704367114
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
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
Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria Scientific Reports, 7 Jul 2017 DOI: 10.1038/s41598-017-04868-2
The self-inhibitory nature of metabolic networks and its alleviation through compartmentalization Nature Communications, 8 Jul 2017 DOI: 10.1038/ncomms16018
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin Scientific Reports, 7 Jul 2017 DOI: 10.1038/s41598-017-05325-w
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
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
Structural analyses of von Willebrand factor C domains of collagen 2A and CCN3 reveal an alternative mode of binding to bone morphogenetic protein-2 Journal Of Biological Chemistry, June 2017 DOI: 10.1074/jbc.M117.788992
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase Nature Communications, 8 June 2017 DOI: 10.1038/ncomms15827
Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint Proceedings Of The National Academy Of Sciences Pnas, June 2017 DOI: 10.1073/pnas.1703682114
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) Krios I-Titan Krios I at Diamond
Structure of the Neisseria Adhesin Complex Protein (ACP) and its role as a novel lysozyme inhibitor Plos Pathogens, 13 June 2017 DOI: 10.1371/journal.ppat.1006448
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Pushing the limits of detection of weak binding using fragment based drug discovery: identification of new cyclophilin binders Journal Of Molecular Biology, June 2017 DOI: 10.1016/j.jmb.2017.06.016
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Crystal structure of the Cul2-Rbx1-EloBC-VHL ubiquitin ligase complex Structure, 25 June 2017 DOI: 10.1016/j.str.2017.04.009
Structural and functional dissection of the interplay between lipid and Notch binding by human Notch ligands The Embo Journal, June 2017 DOI: 10.15252/embj.201796632
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural insights into the function of ZRANB3 in replication stress response Nature Communications, 8 June 2017 DOI: 10.1038/ncomms15847
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The structure of the tetanus toxin reveals pH‐mediated domain dynamics Embo Reports, June 2017 DOI: 10.15252/embr.201744198
Journal Paper B21-High Throughput SAXS I04-1-Macromolecular Crystallography (fixed wavelength) Krios I-Titan Krios I at Diamond
Partial-occupancy binders identified by the Pan-Dataset Density Analysis method offer new chemical opportunities and reveal cryptic binding sites Structural Dynamics, 4 May 2017 DOI: 10.1063/1.4974176
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
The structure of a LAIR1-containing human antibody reveals a novel mechanism of antigen recognition Elife, 6 May 2017 DOI: 10.7554/eLife.27311
A polymerization-associated structural switch in FtsZ that enables treadmilling of model filaments Mbio, 8 May 2017 DOI: 10.1128/mBio.00254-17
Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase Proceedings Of The National Academy Of Sciences, 114 May 2017 DOI: 10.1073/pnas.1700721114
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Filaments and fingers: novel structural aspects of the single septin from Chlamydomonas reinhardtii Journal Of Biological Chemistry, May 2017 DOI: 10.1074/jbc.M116.762229
Conformational analysis of the mannosidase inhibitor kifunensine: a quantum mechanical and structural approach Chembiochem, May 2017 DOI: 10.1002/cbic.201700166
A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density Nature Communications, 8 Apr 2017 DOI: 10.1038/ncomms15123
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Allosteric targeting of the Fanconi anemia ubiquitin-conjugating enzyme Ube2T by fragment screening Journal Of Medicinal Chemistry, Apr 2017 DOI: 10.1021/acs.jmedchem.7b00147
Interaction of azole-based environmental pollutants with the coelomic hemoglobin from Amphitrite ornata: a molecular basis for toxicity Biochemistry, Apr 2017 DOI: 10.1021/acs.biochem.7b00041
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate Proceedings Of The National Academy Of Sciences, 69 Apr 2017 DOI: 10.1073/pnas.1617760114
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Highly selective inhibition of histone demethylases by de novo macrocyclic peptides Nature Communications, 8 Apr 2017 DOI: 10.1038/ncomms14773
SnoN stabilizes the SMAD3/SMAD4 protein complex Scientific Reports, 7 Apr 2017 DOI: 10.1038/srep46370
The tetrameric plant lectin BanLec neutralizes HIV through bidentate binding to specific viral glycans Structure, Apr 2017 DOI: 10.1016/j.str.2017.03.015
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
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
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
Assembly of Ruminococcus flavefaciens cellulosome revealed by structures of two cohesin-dockerin complexes Scientific Reports, 7 Apr 2017 DOI: 10.1038/s41598-017-00919-w
Conformational behaviour of azasugars based on mannuronic acid Chembiochem, 4 Apr 2017 DOI: 10.1002/cbic.201700080
Proper modelling of ligand binding requires an ensemble of bound and unbound states Acta Crystallographica Section D Structural Biology, 73 Mar 2017 DOI: 10.1107/S2059798317003412
The structure of FKBP38 in complex with the MEEVD tetratricopeptide binding-motif of Hsp90 Plos One, 12 Mar 2017 DOI: 10.1371/journal.pone.0173543
Catalytic determinants of alkene production by the cytochrome P450 peroxygenase OleTJE Journal Of Biological Chemistry, 292 Mar 2017 DOI: 10.1074/jbc.M116.762336
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Gentle, fast and effective crystal soaking by acoustic dispensing Acta Crystallographica Section D Structural Biology, 73 Mar 2017 DOI: 10.1107/S205979831700331X
Complex pectin metabolism by gut bacteria reveals novel catalytic functions Nature, 411 Mar 2017 DOI: 10.1038/nature21725
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Structural basis of PROTAC cooperative recognition for selective protein degradation Nature Chemical Biology, 7 Mar 2017 DOI: 10.1038/nchembio.2329
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
SHANK proteins limit integrin activation by directly interacting with Rap1 and R-Ras Nature Cell Biology, 19 Mar 2017 DOI: 10.1038/ncb3487
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
Structural basis of the specificity of USP18 toward ISG15 Nature Structural & Molecular Biology, Feb 2017 DOI: 10.1038/nsmb.3371
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
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
Discovery of triazole aminopyrazines as a highly potent and selective series of PI3Kδ inhibitors Bioorganic & Medicinal Chemistry Letters, 27 Feb 2017 DOI: 10.1016/j.bmcl.2016.11.004
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Extending enzyme molecular recognition with an expanded amino acid alphabet Proceedings Of The National Academy Of Sciences, Feb 2017 DOI: 10.1073/pnas.1616816114
Structural and functional analysis of two small leucine-rich repeat proteoglycans, fibromodulin and chondroadherin Matrix Biology, Feb 2017 DOI: 10.1016/j.matbio.2017.02.002
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
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
Significant discovery of vitamin B6 biosynthesis enzyme Feb 2017
Science Highlight I04-1-Macromolecular Crystallography (fixed wavelength)
One-step design of a stable variant of the malaria invasion protein RH5 for use as a vaccine immunogen Proceedings Of The National Academy Of Sciences, Jan 2017 DOI: 10.1073/pnas.1616903114
Design and synthesis of a pan-Janus kinase inhibitor clinical candidate (PF-06263276) suitable for inhaled and topical delivery for the treatment of inflammatory diseases of the lungs and skin Journal Of Medicinal Chemistry, Jan 2017 DOI: 10.1021/acs.jmedchem.6b01634
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
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
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
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
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Insights into the mechanistic basis of plasmid-mediated colistin resistance from crystal structures of the catalytic domain of MCR-1 Scientific Reports, 7 Jan 2017 DOI: 10.1038/srep39392
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
“To cross-seed or not to cross-seed”: a pilot study using metallo-β-lactamases Crystal Growth & Design, Jan 2017 DOI: 10.1021/acs.cgd.6b01805
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Crystal structure of the heterotrimeric integrin-binding region of laminin-111 Structure, Jan 2017 DOI: 10.1016/j.str.2017.01.002
Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis Nature Chemical Biology, Jan 2017 DOI: 10.1038/nchembio.2273
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
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
Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16 Biochemical Journal, Jan 2017 DOI: 10.1042/BCJ20160941
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
The production and utilization of GDP-glucose in the biosynthesis of trehalose 6-phosphate by Streptomyces venezuelae Journal Of Biological Chemistry, 292 Jan 2017 DOI: 10.1074/jbc.M116.758664
Oxidative maturation and structural characterization of prenylated FMN binding by UbiD, a decarboxylase involved in bacterial ubiquinone biosynthesis Journal Of Biological Chemistry, Jan 2017 DOI: 10.1074/jbc.M116.762732
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Insights into the RecQ helicase mechanism revealed by the structure of the helicase domain of human RECQL5 Nucleic Acids Research, Jan 2017 DOI: 10.1093/nar/gkw1362
Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Macrocyclized extended peptides: Inhibiting the substrate-recognition domain of tankyrase Journal Of The American Chemical Society, Jan 2017 DOI: 10.1021/jacs.6b10234
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Thwarting antibiotic resistance Jan 2017
Science Highlight I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
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- [Science Highlight] Diamond Light Source, "Significant discovery of vitamin B6 biosynthesis enzyme" (2017)
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- [Science Highlight] Diamond Light Source, "Thwarting antibiotic resistance" (2017)
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