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].
113 items found for 2018 [total: 1245]
Structural basis for the specificity of renin-mediated angiotensinogen cleavage Journal Of Biological Chemistry, Dec 2018 DOI: 10.1074/jbc.RA118.006608
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The peroxisomal zebrafish SCP2-thiolase (type-1) is a weak transient dimer as revealed by crystal structures and native mass spectrometry Biochemical Journal, Dec 2018 DOI: 10.1042/BCJ20180788
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
DNA translocation mechanism of an XPD family helicase Elife, 7 Dec 2018 DOI: 10.7554/eLife.42400
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Furo[3,2- b ]pyridine: A privileged scaffold for highly selective kinase inhibitors and effective modulators of the Hedgehog pathway Angewandte Chemie International Edition, 10 Dec 2018 DOI: 10.1002/anie.201810312
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Discovery of potent, efficient, and selective inhibitors of phosphoinositide 3-kinase δ through a deconstruction and regrowth approach Journal Of Medicinal Chemistry, 61 Dec 2018 DOI: 10.1021/acs.jmedchem.8b01556
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Structural basis of meiotic telomere attachment to the nuclear envelope by MAJIN-TERB2-TERB1 Nature Communications, 9 Dec 2018 DOI: 10.1038/s41467-018-07794-7
Journal Paper B21-High Throughput SAXS I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Characterization and structure-guided engineering of the novel versatile terpene monooxygenase CYP109Q5 from Chondromyces apiculatus DSM436 Microbial Biotechnology, 12 Dec 2018 DOI: 10.1111/1751-7915.13354
Structural identification of conserved RNA binding sites in herpesvirus ORF57 homologs: implications for PAN RNA recognition Nucleic Acids Research, 1 Nov 2018 DOI: 10.1093/nar/gky1181
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Cell-active small molecule inhibitors of the DNA-damage repair enzyme poly(ADP-ribose) glycohydrolase (PARG): Discovery and optimization of orally bioavailable quinazolinedione sulfonamides Journal Of Medicinal Chemistry, Nov 2018 DOI: 10.1021/acs.jmedchem.8b01407
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation Nature Microbiology, 3 Nov 2018 DOI: 10.1038/s41564-018-0258-8
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
SAR studies leading to the identification of a novel series of metallo-β-lactamase inhibitors for the treatment of carbapenem-resistant Enterobacteriaceae infections that display efficacy in an animal infection model Acs Infectious Diseases, Nov 2018 DOI: 10.1021/acsinfecdis.8b00246
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Differences in the conformational energy landscape of CDK1 and CDK2 suggest a mechanism for achieving selective CDK inhibition Cell Chemical Biology, Nov 2018 DOI: 10.1016/j.chembiol.2018.10.015
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structural characterisation of calnexin cycle components and assessment as antiviral targets Nov 2018
Thesis I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Identification of fragments binding to CHD1 double chromodomain, an epigenetic reader of KDM1A K114me2 and H3 K4me3 Nov 2018
Thesis I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Structural insights into the function of type VI secretion system TssA subunits Nature Communications, 9 Nov 2018 DOI: 10.1038/s41467-018-07247-1
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
A PxL motif promotes timely cell cycle substrate dephosphorylation by the Cdc14 phosphatase Nature Structural & Molecular Biology, 434 Nov 2018 DOI: 10.1038/s41594-018-0152-3
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
(ADP-ribosyl)hydrolases: structural basis for differential substrate recognition and inhibition Cell Chemical Biology, Nov 2018 DOI: 10.1016/j.chembiol.2018.11.001
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structures of DPAGT1 explain glycosylation disease mechanisms and advance TB antibiotic design Cell, 175 Nov 2018 DOI: 10.1016/j.cell.2018.10.037
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
A potent and selective PARP11 inhibitor suggests coupling between cellular localization and catalytic activity Cell Chemical Biology, Oct 2018 DOI: 10.1016/j.chembiol.2018.09.011
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Non-equivalence of second sphere ‘non-catalytic’ residues in pentaerythritol tetranitrate reductase in relation to local dynamics linked to H-transfer in reactions with NADH and NADPH coenzymes Acs Catalysis, Oct 2018 DOI: 10.1021/acscatal.8b02810
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Synthesis and application of a highly branched, mechanism-based 2-deoxy-2-fluoro-oligosaccharide inhibitor of endo -xyloglucanases Organic & Biomolecular Chemistry, 5 Oct 2018 DOI: 10.1039/C8OB02250J
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Maintaining and breaking symmetry in homomeric coiled-coil assemblies Nature Communications, 9 Oct 2018 DOI: 10.1038/s41467-018-06391-y
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structural basis for recognition and repair of the 3′-phosphate by NExo, a base excision DNA repair nuclease from Neisseria meningitidis Nucleic Acids Research, 39 Oct 2018 DOI: 10.1093/nar/gky934
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Aster proteins facilitate nonvesicular plasma membrane to ER cholesterol transport in mammalian cells Cell, Oct 2018 DOI: 10.1016/j.cell.2018.08.033
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Holliday junctions formed from human telomeric DNA Journal Of The American Chemical Society, Oct 2018 DOI: 10.1021/jacs.8b08699
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography
Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26 Febs Letters, 592 Oct 2018 DOI: 10.1002/1873-3468.13231
The ciliary machinery is repurposed for T cell immune synapse trafficking of LCK Developmental Cell, 47 Oct 2018 DOI: 10.1016/j.devcel.2018.08.012
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors Chemical Science, 434 Oct 2018 DOI: 10.1039/C8SC03831G
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
New thermophilic α/β class epoxide hydrolases found in metagenomes from hot environments Frontiers In Bioengineering And Biotechnology, 6 Oct 2018 DOI: 10.3389/fbioe.2018.00144
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Direct visible light activation of a surface cysteine-engineered [NiFe]-hydrogenase by silver nanoclusters Energy & Environmental Science, 11 Oct 2018 DOI: 10.1039/C8EE02361A
MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP Nucleic Acids Research, 23 Oct 2018 DOI: 10.1093/nar/gky896
Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart Biochimica Et Biophysica Acta (bba) - Proteins And Proteomics, Sept 2018 DOI: 10.1016/j.bbapap.2018.09.005
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Tannerella forsythia Tfo belongs to Porphyromonas gingivalis HmuY-like family of proteins but differs in heme-binding properties Bioscience Reports, Sept 2018 DOI: 10.1042/BSR20181325
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Insights into kinesin-1 activation from the crystal structure of KLC2 bound to JIP3 Structure, Sept 2018 DOI: 10.1016/j.str.2018.07.011
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
TssA from Burkholderia cenocepacia : expression, purification, crystallization and crystallographic analysis Acta Crystallographica Section F Structural Biology Communications, 74 Sept 2018 DOI: 10.1107/S2053230X18009706
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural analysis of the interaction between the bacterial cell division proteins FtsQ and FtsB Mbio, 9 Sept 2018 DOI: 10.1128/mBio.01346-18
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Discovery of N -(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H -1,2,3-triazol-1-yl]acetamide (AZD3229), a potent pan-KIT mutant inhibitor for the treatment of gastrointestinal stromal tumors Journal Of Medicinal Chemistry, Sept 2018 DOI: 10.1021/acs.jmedchem.8b00938
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Structure and function of L -threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations Acta Crystallographica Section D Structural Biology, 74 Sept 2018 DOI: 10.1107/S2059798318009208
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Introduction of a methyl group curbs metabolism of pyrido[3,4- d ]pyrimidine monopolar spindle 1 (mps1) inhibitors and enables the discovery of the phase 1 clinical candidate.. Journal Of Medicinal Chemistry, Sept 2018 DOI: 10.1021/acs.jmedchem.8b00690
The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs Plos One, 13 Sept 2018 DOI: 10.1371/journal.pone.0203532
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The TAB1-p38α complex aggravates myocardial injury and can be targeted by small molecules Jci Insight, 3 Aug 2018 DOI: 10.1172/jci.insight.121144
Mechanistic exploitation of a self-repairing, blocked proton transfer pathway in an O2-tolerant [NiFe]-hydrogenase Journal Of The American Chemical Society, Aug 2018 DOI: 10.1021/jacs.8b04798
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Structural basis for selective inhibition of immunoglobulin E-receptor interactions by an anti-IgE antibody Scientific Reports, 8 Aug 2018 DOI: 10.1038/s41598-018-29664-4
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level Nature Communications, 9 Aug 2018 DOI: 10.1038/s41467-018-05702-7
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds Science Advances, 4 Aug 2018 DOI: 10.1126/sciadv.aat2720
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
A fluorescent robe identifies active site ligands of inositol pentakisphosphate 2-kinase Journal Of Medicinal Chemistry, Aug 2018 DOI: 10.1021/acs.jmedchem.8b01022
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Studying the mechanism and action of Purine biosynthesis enzymes in Mycobacterium Tuberculosis H37RV Aug 2018
Thesis I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Structural and catalytic properties of the peroxygenase P450 enzyme CYP152K6 from Bacillus methanolicus Journal Of Inorganic Biochemistry, Aug 2018 DOI: 10.1016/j.jinorgbio.2018.08.002
Structural basis for membrane tethering by a bacterial dynamin-like pair Nature Communications, 9 Aug 2018 DOI: 10.1038/s41467-018-05523-8
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) Krios I-Titan Krios I at Diamond Krios II-Titan Krios II at Diamond open access
Structural basis for the acceleration of procollagen processing by procollagen C-proteinase enhancer-1 Structure, Aug 2018 DOI: 10.1016/j.str.2018.06.011
Structure of a Talaromyces pinophilus GH62 arabinofuranosidase in complex with AraDNJ at 1.25 Å resolution Acta Crystallographica Section F Structural Biology Communications, 74 Aug 2018 DOI: 10.1107/S2053230X18000250
Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment Nature Communications, 9 Aug 2018 DOI: 10.1038/s41467-018-05707-2
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Getting drugs into Gram-negative bacteria: Rational rules for permeation through general porins Acs Infectious Diseases, Jul 2018 DOI: 10.1021/acsinfecdis.8b00108
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset Proceedings Of The National Academy Of Sciences, 47 Jul 2018 DOI: 10.1073/pnas.1607817115
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
A new structural class of bacterial thioester domains reveals a slipknot topology Protein Science, Jul 2018 DOI: 10.1002/pro.3478
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Gluconeogenic precursor availability regulates flux through the glyoxylate shunt in Pseudomonas aeruginosa Journal Of Biological Chemistry, Jul 2018 DOI: 10.1074/jbc.RA118.004514
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Identification of a tyrosine switch in copper-haem nitrite reductases Iucrj, 5 Jul 2018 DOI: 10.1107/S2052252518008242
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Trapping of the transport-segment DNA by the ATPase domains of a type II topoisomerase Nature Communications, 9 Jul 2018 DOI: 10.1038/s41467-018-05005-x
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
Structural characterisation of oligosaccharide recognition by surfactant protein D Jul 2018
Thesis I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
De novo-designed α-helical barrels as receptors for small molecules Acs Synthetic Biology, Jul 2018 DOI: 10.1021/acssynbio.8b00225
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Structural basis of meiotic chromosome synapsis through SYCP1 self-assembly Nature Structural & Molecular Biology, 7 June 2018 DOI: 10.1038/s41594-018-0078-9
Journal Paper B21-High Throughput SAXS I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
A scaffold-hopping approach to discover potent, selective and efficacious inhibitors of NF-κB inducing kinase Journal Of Medicinal Chemistry, June 2018 DOI: 10.1021/acs.jmedchem.8b00678
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Structural definition of hSP-D recognition of Salmonella enterica LPS inner core oligosaccharides reveals alternative binding modes for the same LPS Plos One, 13 June 2018 DOI: 10.1371/journal.pone.0199175
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
3-Fluoro-4-hydroxyprolines: Synthesis, conformational analysis and stereoselective recognition by the VHL E3 ubiquitin ligase for targeted protein degradation Journal Of The American Chemical Society, June 2018 DOI: 10.1021/jacs.8b05807
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structure and ligand binding of the SAM-V riboswitch Nucleic Acids Research, 78 June 2018 DOI: 10.1093/nar/gky520
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Plasticity in binding confers selectivity in ligand-induced protein degradation Nature Chemical Biology, 14 June 2018 DOI: 10.1038/s41589-018-0055-y
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Structural basis for the regulation of human 5,10-methylenetetrahydrofolate reductase by phosphorylation and S-adenosylmethionine inhibition Nature Communications, 9 June 2018 DOI: 10.1038/s41467-018-04735-2
Journal Paper B21-High Throughput SAXS I04-1-Macromolecular Crystallography (fixed wavelength) open access
Structural insight into the human mitochondrial tRNA purine N1-methyltransferase and Ribonuclease P complexes Journal Of Biological Chemistry, June 2018 DOI: 10.1074/jbc.RA117.001286
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
A flat BAR Protein promotes actin polymerization at the base of clathrin-coated pits Cell, June 2018 DOI: 10.1016/j.cell.2018.05.020
An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering Elife, 7 June 2018 DOI: 10.7554/eLife.36307
Bacteroides thetaiotaomicron generates diverse α-mannosidase activities through subtle evolution of a distal substrate-binding motif Acta Crystallographica Section D Structural Biology, 74 May 2018 DOI: 10.1107/S2059798318002942
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
The crystal structure of P450-TT heme-domain provides the first structural insights into the versatile class VII P450s Biochemical And Biophysical Research Communications, May 2018 DOI: 10.1016/j.bbrc.2018.05.014
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Construction of fluorescent analogs to follow the uptake and distribution of cobalamin (vitamin B12) in bacteria, worms, and plants Cell Chemical Biology, May 2018 DOI: 10.1016/j.chembiol.2018.04.012
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig Plos Pathogens, 14 May 2018 DOI: 10.1371/journal.ppat.1007017
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural insight into industrially relevant glucoamylases: flexible positions of starch-binding domains Acta Crystallographica Section D Structural Biology, 74 May 2018 DOI: 10.1107/S2059798318004989
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Activity of acetyltransferase toxins involved in Salmonella persister formation during macrophage infection Nature Communications, 9 May 2018 DOI: 10.1038/s41467-018-04472-6
An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor Biochemical Journal, May 2018 DOI: 10.1042/BCJ20180171
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus Nature Chemistry, 10 May 2018 DOI: 10.1038/s41557-018-0039-2
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Structural dynamics and catalytic properties of a multi-modular xanthanase Acs Catalysis, May 2018 DOI: 10.1021/acscatal.8b00666
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
In silico and structural analyses demonstrate that intrinsic protein motions guide T cell receptor complementarity determining region loop flexibility Frontiers In Immunology, 9 Apr 2018 DOI: 10.3389/fimmu.2018.00674
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene Plos Genetics, 14 Apr 2018 DOI: 10.1371/journal.pgen.1007310
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Unusual constriction zones in the major porins OmpU and OmpT from Vibrio cholerae Structure, Apr 2018 DOI: 10.1016/j.str.2018.03.010
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Structural basis for the initiation of glycosaminoglycan biosynthesis by human xylosyltransferase 1 Structure, Apr 2018 DOI: 10.1016/j.str.2018.03.014
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Inscuteable: No longer inscrutable Apr 2018
Science Highlight I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Insc:LGN tetramers promote asymmetric divisions of mammary stem cells Nature Communications, 9 Mar 2018 DOI: 10.1038/s41467-018-03343-4
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Biocatalytic routes to lactone monomers for polymer production Biochemistry, Mar 2018 DOI: 10.1021/acs.biochem.8b00169
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength)
Structural and functional analysis of Erwinia amylovora SrlD. The first crystal structure of a sorbitol-6-phosphate 2-dehydrogenase Journal Of Structural Biology, Mar 2018 DOI: 10.1016/j.jsb.2018.03.010
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength)
Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces Chemmedchem, Mar 2018 DOI: 10.1002/cmdc.201800030
Mitotic spindle association of TACC3 requires Aurora‐A‐dependent stabilization of a cryptic α‐helix The Embo Journal, Mar 2018 DOI: 10.15252/embj.201797902
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Targeting ligandable pockets on PHD zinc finger domains by a fragment-based approach Acs Chemical Biology, Mar 2018 DOI: 10.1021/acschembio.7b01093
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures Proceedings Of The National Academy Of Sciences, 265 Mar 2018 DOI: 10.1073/pnas.1710741115
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography
Thioamide substitution to probe the hydroxyproline recognition of VHL ligands Bioorganic & Medicinal Chemistry, Mar 2018 DOI: 10.1016/j.bmc.2018.03.034
Structure-based design of chimeric antigens for multivalent protein vaccines Nature Communications, 9 Mar 2018 DOI: 10.1038/s41467-018-03146-7
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation Nature Communications, 9 Feb 2018 DOI: 10.1038/s41467-017-02811-7
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Structure and function of a novel periplasmic chitooligosaccharide-binding protein from marine Vibrio bacteria Journal Of Biological Chemistry, Feb 2018 DOI: 10.1074/jbc.RA117.001012
A complete structural characterization of the desferrioxamine E biosynthetic pathway from the fire blight pathogen Erwinia amylovora Journal Of Structural Biology, Feb 2018 DOI: 10.1016/j.jsb.2018.02.002
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-β-lactamases Bioorganic & Medicinal Chemistry, Feb 2018 DOI: 10.1016/j.bmc.2018.02.043
Screening of a novel fragment library with functional complexity against Mycobacterium tuberculosis InhA Chemmedchem, Feb 2018 DOI: 10.1002/cmdc.201700774
Journal Paper I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Production and crystallization of full-length human AMP-activated protein kinase (α1β1γ1) Feb 2018 DOI: 10.1007/978-1-4939-7598-3_1
Book Chapter I04-1-Macromolecular Crystallography (fixed wavelength)
Characterization of the fast and promiscuous macrocyclase from plant PCY1 enables the use of simple substrates Acs Chemical Biology, Jan 2018 DOI: 10.1021/acschembio.8b00050
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography I24-Microfocus Macromolecular Crystallography open access
The nature and reactivity of ferryl heme in compounds I and II Accounts Of Chemical Research, Jan 2018 DOI: 10.1021/acs.accounts.7b00463
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
The mechanism of glycosphingolipid degradation revealed by a GALC-SapA complex structure Nature Communications, 9 Jan 2018 DOI: 10.1038/s41467-017-02361-y
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors Bioorganic & Medicinal Chemistry Letters, Jan 2018 DOI: 10.1016/j.bmcl.2018.01.044
Structure of the C1r–C1s interaction of the C1 complex of complement activation Proceedings Of The National Academy Of Sciences, 265 Jan 2018 DOI: 10.1073/pnas.1718709115
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
The structure of the binary methyltransferase-SAH complex from Zika virus reveals a novel conformation for the mechanism of mRNA capping Oncotarget, 9 Jan 2018 DOI: 10.18632/oncotarget.23223
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
Structural basis for DNA 3′-end processing by human tyrosyl-DNA phosphodiesterase 1 Nature Communications, 9 Jan 2018 DOI: 10.1038/s41467-017-02530-z
Journal Paper I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
CDKL family kinases have evolved distinct structural features and ciliary function Cell Reports, 22 Jan 2018 DOI: 10.1016/j.celrep.2017.12.083
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I24-Microfocus Macromolecular Crystallography open access
Structural basis for chitin acquisition by marine Vibrio species Nature Communications, 9 Jan 2018 DOI: 10.1038/s41467-017-02523-y
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
An update on factor XI structure and function Thrombosis Research, 161 Jan 2018 DOI: 10.1016/j.thromres.2017.10.008
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography
Structure–function analyses generate novel specificities to assemble the components of multi-enzyme bacterial cellulosome complexes Journal Of Biological Chemistry, Jan 2018 DOI: 10.1074/jbc.RA117.001241
Optimization of a “bump-and-hole” approach to allele-selective BET bromodomain inhibition Chemical Science, Jan 2018 DOI: 10.1039/C7SC02536J
2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors Scientific Reports, 8 Jan 2018 DOI: 10.1038/s41598-018-19872-3
Journal Paper I02-Macromolecular Crystallography I03-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) open access
Activity of factor XII-Locarno Research And Practice In Thrombosis And Haemostasis, 2 Jan 2018 DOI: 10.1002/rth2.12054
Journal Paper I02-Macromolecular Crystallography I04-1-Macromolecular Crystallography (fixed wavelength) I04-Macromolecular Crystallography open access
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- Bohdan Waszkowycz, Kate M. Smith, Alison E. Mcgonagle, Allan M. Jordan, Ben Acton, Emma Fairweather, Louise A. Griffiths, Niall Hamilton, Nicola Hamilton, James Hitchin, Colin P. Hutton, Dominic James, Clifford D. Jones, Stuart Jones, Daniel P. Mould, Helen Small, Alexandra Stowell, Julie Tucker, Ian Waddell, Donald Ogilvie, "Cell-active small molecule inhibitors of the DNA-damage repair enzyme poly(ADP-ribose) glycohydrolase (PARG): Discovery and optimization of orally bioavailable quinazolinedione sulfonamides", Journal Of Medicinal Chemistry (2018), DOI: 10.1021/acs.jmedchem.8b01407
- Alan Cartmell, Jose Muñoz-Muñoz, Jonathon A. Briggs, Didier A. Ndeh, Elisabeth C. Lowe, Arnaud Basle, Nicolas Terrapon, Katherine Stott, Tiaan Heunis, Joe Gray, Li Yu, Paul Dupree, Pearl Z. Fernandes, Sayali Shah, Spencer J. Williams, Aurore Labourel, Matthias Trost, Bernard Henrissat, Harry J. Gilbert, "A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation", Nature Microbiology, 3, 1314 - 1326 (2018), DOI: 10.1038/s41564-018-0258-8
- Simon Leiris, Alicia Coelho, Jérôme Castandet, Maëlle Bayet, Clarisse Lozano, Juliette Bougnon, Justine Bousquet, Martin John Everett, Marc Lemonnier, Nicolas Sprynski, Magdalena Zalacain, Thomas David Pallin, Michael Cramp, Neil Jennings, Gilles Raphy, Mark William Jones, Ramesh Pattipati, Battu Shankar, Relangi Sivasubrahmanyam, Ashok Kumar Soodhagani, Ramakrishna Reddy Juventhala, Narender Pottabathini, Srinivasu Pothukanuri, Manuela Benvenuti, Cecilia Pozzi, Stefano Mangani, Filomena De Luca, Giulia Cerboni, Jean-Denis Docquier, David Davies, "SAR studies leading to the identification of a novel series of metallo-β-lactamase inhibitors for the treatment of carbapenem-resistant Enterobacteriaceae infections that display efficacy in an animal infection model", Acs Infectious Diseases (2018), DOI: 10.1021/acsinfecdis.8b00246
- Daniel J. Wood, Svitlana Korolchuk, Natalie J. Tatum, Lan-Zhen Wang, Jane A. Endicott, Martin E. M. Noble, Mathew P. Martin, "Differences in the conformational energy landscape of CDK1 and CDK2 suggest a mechanism for achieving selective CDK inhibition", Cell Chemical Biology (2018), DOI: 10.1016/j.chembiol.2018.10.015
- [Thesis] Johan C. Hill, "Structural characterisation of calnexin cycle components and assessment as antiviral targets" (2018)
- [Thesis] Joel Mcmillan, "Identification of fragments binding to CHD1 double chromodomain, an epigenetic reader of KDM1A K114me2 and H3 K4me3" (2018)
- Samuel R. Dix, Hayley J. Owen, Ruyue Sun, Asma Ahmad, Sravanthi Shastri, Helena L. Spiewak, Daniel J. Mosby, Matthew J. Harris, Sarah L. Batters, Thomas A. Brooker, Svetomir B. Tzokov, Svetlana E. Sedelnikova, Patrick J. Baker, Per A. Bullough, David W. Rice, Mark S. Thomas, "Structural insights into the function of type VI secretion system TssA subunits", Nature Communications, 9 (2018), DOI: 10.1038/s41467-018-07247-1
- Meghna Kataria, Stephane Mouilleron, Moon-Hyeong Seo, Carles Corbi-Verge, Philip M. Kim, Frank Uhlmann, "A PxL motif promotes timely cell cycle substrate dephosphorylation by the Cdc14 phosphatase", Nature Structural & Molecular Biology, 434 (2018), DOI: 10.1038/s41594-018-0152-3
- Johannes Gregor Matthias Rack, Antonio Ariza, Bryon S. Drown, Callum Henfrey, Edward Bartlett, Tomohiro Shirai, Paul J. Hergenrother, Ivan Ahel, "(ADP-ribosyl)hydrolases: structural basis for differential substrate recognition and inhibition", Cell Chemical Biology (2018), DOI: 10.1016/j.chembiol.2018.11.001
- Yin Yao Dong, Hua Wang, Ashley C. W. Pike, Stephen A. Cochrane, Sadra Hamedzadeh, Filip J. Wyszyński, Simon R. Bushell, Sylvain F. Royer, David A. Widdick, Andaleeb Sajid, Helena I. Boshoff, Yumi Park, Ricardo Lucas, Wei-Min Liu, Seung Seo Lee, Takuya Machida, Leanne Minall, Shahid Mehmood, Katsiaryna Belaya, Wei-Wei Liu, Amy Chu, Leela Shrestha, Shubhashish M. M. Mukhopadhyay, Claire Strain-Damerell, Rod Chalk, Nicola A. Burgess-Brown, Mervyn J. Bibb, Clifton E. Barry, Carol V. Robinson, David Beeson, Benjamin G. Davis, Elizabeth P. Carpenter, "Structures of DPAGT1 explain glycosylation disease mechanisms and advance TB antibiotic design", Cell, 175, 1045 - 1058.e16 (2018), DOI: 10.1016/j.cell.2018.10.037
- Ilsa T. Kirby, Ana Kojic, Moriah R. Arnold, Ann-Gerd Thorsell, Tobias Karlberg, Anke Vermehren-Schmaedick, Raashi Sreenivasan, Carsten Schultz, Herwig Schüler, Michael S. Cohen, "A potent and selective PARP11 inhibitor suggests coupling between cellular localization and catalytic activity", Cell Chemical Biology (2018), DOI: 10.1016/j.chembiol.2018.09.011
- Andreea I. Iorgu, Nicola J. Baxter, Matthew J. Cliff, Colin Levy, Jonathan P. Waltho, Sam Hay, Nigel S. Scrutton, "Non-equivalence of second sphere ‘non-catalytic’ residues in pentaerythritol tetranitrate reductase in relation to local dynamics linked to H-transfer in reactions with NADH and NADPH coenzymes", Acs Catalysis (2018), DOI: 10.1021/acscatal.8b02810
- Namrata Jain, Mohamed A. Attia, Wendy A. Offen, Gideon J. Davies, Harry Brumer, "Synthesis and application of a highly branched, mechanism-based 2-deoxy-2-fluoro-oligosaccharide inhibitor of endo -xyloglucanases", Organic & Biomolecular Chemistry, 5 (2018), DOI: 10.1039/C8OB02250J
- Guto G. Rhys, Christopher W. Wood, Eric J. M. Lang, Adrian J. Mulholland, R. Leo Brady, Andrew R. Thomson, Derek N. Woolfson, "Maintaining and breaking symmetry in homomeric coiled-coil assemblies", Nature Communications, 9 (2018), DOI: 10.1038/s41467-018-06391-y
- Jan Silhan, Qiyuan Zhao, Evzen Boura, Hellen Thomson, Andreas Forster, Christoph M. Tang, Paul S. Freemont, Geoff S. Baldwin, "Structural basis for recognition and repair of the 3′-phosphate by NExo, a base excision DNA repair nuclease from Neisseria meningitidis", Nucleic Acids Research, 39 (2018), DOI: 10.1093/nar/gky934
- Jaspreet Sandhu, Shiqian Li, Louise Fairall, Simon G. Pfisterer, Jennifer E. Gurnett, Xu Xiao, Thomas A. Weston, Dipti Vashi, Alessandra Ferrari, Jose L. Orozco, Celine L. Hartman, David Strugatsky, Stephen D. Lee, Cuiwen He, Cynthia Hong, Haibo Jiang, Laurent A. Bentolila, Alberto T. Gatta, Tim P. Levine, Annie Ferng, Richard Lee, David A. Ford, Stephen G. Young, Elina Ikonen, John Schwabe, Peter Tontonoz, "Aster proteins facilitate nonvesicular plasma membrane to ER cholesterol transport in mammalian cells", Cell (2018), DOI: 10.1016/j.cell.2018.08.033
- Shozeb Haider, Pengfei Li, Soraia Khiali, Deeksha Munnur, Arvind Ramanathan, Gary N. Parkinson, "Holliday junctions formed from human telomeric DNA", Journal Of The American Chemical Society (2018), DOI: 10.1021/jacs.8b08699
- Louise Walport, Richard J. Hopkinson, Rasheduzzaman Chowdhury, Yijia Zhang, Joanna Bonnici, Rachel Schiller, Akane Kawamura, Christopher J. Schofield, "Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26", Febs Letters, 592, 3264 - 3273 (2018), DOI: 10.1002/1873-3468.13231
- Louise A. Stephen, Yasmin Elmaghloob, Michael J. Mcilwraith, Tamas Yelland, Patricia Castro Sanchez, Pedro Roda-Navarro, Shehab Ismail, "The ciliary machinery is repurposed for T cell immune synapse trafficking of LCK", Developmental Cell, 47, 122 - 132.e4 (2018), DOI: 10.1016/j.devcel.2018.08.012
- Alessio De Simone, Charis Georgiou, Harris Ioannidis, Arun A. Gupta, Jordi Juárez-Jiménez, Dahlia Doughty-Shenton, Elizabeth A. Blackburn, Martin A. Wear, Jonathan P. Richards, Paul N. Barlow, Neil Carragher, Malcolm D. Walkinshaw, Alison N. Hulme, Julien Michel, "A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors", Chemical Science, 434 (2018), DOI: 10.1039/C8SC03831G
- Erica Elisa Ferrandi, Christopher Sayer, Simone Antonio De Rose, Elisa Guazzelli, Carlotta Marchesi, Vahid Saneei, Misha N. Isupov, Jennifer A. Littlechild, Daniela Monti, "New thermophilic α/β class epoxide hydrolases found in metagenomes from hot environments", Frontiers In Bioengineering And Biotechnology, 6 (2018), DOI: 10.3389/fbioe.2018.00144
- Liyun Zhang, Stephen E. Beaton, Stephen B. Carr, Fraser A. Armstrong, "Direct visible light activation of a surface cysteine-engineered [NiFe]-hydrogenase by silver nanoclusters", Energy & Environmental Science, 11, 3342 - 3348 (2018), DOI: 10.1039/C8EE02361A
- Ann-Sofie Jemth, Robert Gustafsson, Lars Bräutigam, Linda Henriksson, Karl S. A. Vallin, Antonio Sarno, Ingrid Almlöf, Evert Homan, Azita Rasti, Ulrika Warpman berglund, Pal Stenmark, Thomas Helleday, "MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP", Nucleic Acids Research, 23 (2018), DOI: 10.1093/nar/gky896
- Giusy Tassone, Stefano Mangani, Maurizio Botta, Cecilia Pozzi, "Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart", Biochimica Et Biophysica Acta (bba) - Proteins And Proteomics (2018), DOI: 10.1016/j.bbapap.2018.09.005
- Marcin Bielecki, Svetlana Antonyuk, Richard W. Strange, John W. Smalley, Paweł Mackiewicz, Michał Śmiga, Paulina Stępień, Mariusz Olczak, Teresa Olczak, "Tannerella forsythia Tfo belongs to Porphyromonas gingivalis HmuY-like family of proteins but differs in heme-binding properties", Bioscience Reports (2018), DOI: 10.1042/BSR20181325
- Joseph J. B. Cockburn, Sophie J. Hesketh, Peter Mulhair, Maren Thomsen, Mary J. O'Connell, Michael Way, "Insights into kinesin-1 activation from the crystal structure of KLC2 bound to JIP3", Structure (2018), DOI: 10.1016/j.str.2018.07.011
- Hayley J. Owen, Ruyue Sun, Asma Ahmad, Svetlana E. Sedelnikova, Patrick Baker, Mark S. Thomas, David W. Rice, "TssA from Burkholderia cenocepacia : expression, purification, crystallization and crystallographic analysis", Acta Crystallographica Section F Structural Biology Communications, 74, 536 - 542 (2018), DOI: 10.1107/S2053230X18009706
- Danguole Kureisaite-Ciziene, Aravindan Varadajan, Stephen H. Mclaughlin, Marjolein Glas, Alejandro Montón Silva, Rosa Luirink, Carolin Mueller, Tanneke Den Blaauwen, Tom N. Grossmann, Joen Luirink, Jan Lowe, "Structural analysis of the interaction between the bacterial cell division proteins FtsQ and FtsB", Mbio, 9 (2018), DOI: 10.1128/mBio.01346-18
- Jason G. Kettle, Rana Anjum, Evan Barry, Deepa Bhavsar, Crystal Brown, Scott Boyd, Andrew Campbell, Kristin Goldberg, Michael Grondine, Sylvie Guichard, Christopher J. Hardy, Tom Hunt, Rhys D. O. Jones, Xiuwei Li, Olga Moleva, Derek Ogg, Ross C. Overman, Martin J. Packer, Stuart Pearson, Marianne Schimpl, Wenlin Shao, Aaron Smith, James M. Smith, Darren Stead, Steve Stokes, Michael Tucker, Yang Ye, "Discovery of N -(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H -1,2,3-triazol-1-yl]acetamide (AZD3229), a potent pan-KIT mutant inhibitor for the treatment of gastrointestinal stromal tumors", Journal Of Medicinal Chemistry (2018), DOI: 10.1021/acs.jmedchem.8b00938
- Eyram Adjogatse, Peter Erskine, Stephen A. Wells, John M. Kelly, Jonathan D. Wilden, A. W. Edith Chan, David Selwood, Alun Coker, Steve Wood, Jonathan B. Cooper, "Structure and function of L -threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations", Acta Crystallographica Section D Structural Biology, 74, 861 - 876 (2018), DOI: 10.1107/S2059798318009208
- Hannah L. Woodward, Paolo Innocenti, Kwai-Ming J. Cheung, Angela Hayes, Jennie Roberts, Alan T. Henley, Amir Faisal, Grace Wing-Yan Mak, Gary Box, Isaac M. Westwood, Nora Cronin, Michael Carter, Melanie Valenti, Alexis De Haven Brandon, Lisa O’fee, Harry Saville, Jessica Schmitt, Rosemary Burke, Fabio Broccatelli, Rob L. M. Van Montfort, Florence I. Raynaud, Suzanne A. Eccles, Spiros Linardopoulos, Julian Blagg, Swen Hoelder, "Introduction of a methyl group curbs metabolism of pyrido[3,4- d ]pyrimidine monopolar spindle 1 (mps1) inhibitors and enables the discovery of the phase 1 clinical candidate..", Journal Of Medicinal Chemistry (2018), DOI: 10.1021/acs.jmedchem.8b00690
- Juliana Roberta Torini, Larissa Romanello, Fernanda Aparecida Heleno Batista, Vitor Hugo Balasco Serrao, Muhamamd Faheem, Ana Eliza Zeraik, Louise Bird, Joanne E. Nettleship, Yamini Reddivari, Ray Owens, Ricardo Demarco, Júlio César Borges, Jose Brandao-Neto, Humberto D'Muniz Pereira, "The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs", Plos One, 13 (2018), DOI: 10.1371/journal.pone.0203532
- Gian F. De Nicola, Rekha Bassi, Charlie Nichols, Mariana Fernandez-Caggiano, Pelin Arabacilar Golforoush, Dibesh Thapa, Rhys Anderson, Eva Denise Martin, Sharwari Verma, Jens Kleinjung, Adam Laing, Jonathan P. Hutchinson, Philip Eaton, James Clark, Michael S. Marber, "The TAB1-p38α complex aggravates myocardial injury and can be targeted by small molecules", Jci Insight, 3 (2018), DOI: 10.1172/jci.insight.121144
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- Weiwu Ren, Robert Pengelly, Marco Farren-Dai, Saeideh Shamsi Kazem Abadi, Verena Oehler, Oluwafemi Akintola, Jason Draper, Michael Meanwell, Saswati Chakladar, Katarzyna Świderek, Vicent Moliner, Robert Britton, Tracey M. Gloster, Andrew J. Bennet, "Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level", Nature Communications, 9 (2018), DOI: 10.1038/s41467-018-05702-7
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- Hayley Whitfield, Megan Gilmartin, Kendall Baker, Andrew M. Riley, Himali Y. Godage, Barry V. L. Potter, Andrew M. Hemmings, Charles A. Brearley, "A fluorescent robe identifies active site ligands of inositol pentakisphosphate 2-kinase", Journal Of Medicinal Chemistry (2018), DOI: 10.1021/acs.jmedchem.8b01022
- [Thesis] Samah Almehmadi, "Studying the mechanism and action of Purine biosynthesis enzymes in Mycobacterium Tuberculosis H37RV" (2018)
- Hazel M. Girvan, Harshwardhan Poddar, Kirsty J. Mclean, David R. Nelson, Katherine A. Hollywood, Colin W. Levy, David Leys, Andrew W. Munro, "Structural and catalytic properties of the peroxygenase P450 enzyme CYP152K6 from Bacillus methanolicus", Journal Of Inorganic Biochemistry (2018), DOI: 10.1016/j.jinorgbio.2018.08.002
- Jiwei Liu, Jeffrey K. Noel, Harry H. Low, "Structural basis for membrane tethering by a bacterial dynamin-like pair", Nature Communications, 9 (2018), DOI: 10.1038/s41467-018-05523-8
- David Pulido, Urvashi Sharma, Sandrine Vadon-Le Goff, Sadaf-Ahmahni Hussain, Sarah Cordes, Natacha Mariano, Emmanuel Bettler, Catherine Moali, Nushin Aghajari, Erhard Hohenester, David J. S. Hulmes, "Structural basis for the acceleration of procollagen processing by procollagen C-proteinase enhancer-1", Structure (2018), DOI: 10.1016/j.str.2018.06.011
- Olga V. Moroz, Lukasz F. Sobala, Elena Blagova, Travis Coyle, Wei Peng, Kristian B. R. Mørkeberg Krogh, Keith A. Stubbs, Keith S. Wilson, Gideon J. Davies, "Structure of a Talaromyces pinophilus GH62 arabinofuranosidase in complex with AraDNJ at 1.25 Å resolution", Acta Crystallographica Section F Structural Biology Communications, 74 (2018), DOI: 10.1107/S2053230X18000250
- Camilo E. Quevedo, Abimael Cruz-Migoni, Nicolas Bery, Ami Miller, Tomoyuki Tanaka, Donna Petch, Carole J. R. Bataille, Lydia Y. W. Lee, Phillip S. Fallon, Hanna Tulmin, Matthias T. Ehebauer, Narcis Fernandez-Fuentes, Angela J. Russell, Stephen Carr, Simon E. V. Phillips, Terence Rabbitts, "Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment", Nature Communications, 9 (2018), DOI: 10.1038/s41467-018-05707-2
- Silvia Acosta-Gutierrez, Luana Ferrara, Monisha Pathania, Muriel Masi, Jiajun Wang, Igor Bodrenko, Michael Zahn, Mathias Winterhalter, Robert A. Stavenger, Jean-Marie Pages, James H. Naismith, Bert Van Den Berg, Malcolm G. P. Page, Matteo Ceccarelli, "Getting drugs into Gram-negative bacteria: Rational rules for permeation through general porins", Acs Infectious Diseases (2018), DOI: 10.1021/acsinfecdis.8b00108
- Charlotte M. Miton, Stefanie Jonas, Gerhard Fischer, Fernanda Duarte, Mark F. Mohamed, Bert Van Loo, Bálint Kintses, Shina C. L. Kamerlin, Nobuhiko Tokuriki, Marko Hyvonen, Florian Hollfelder, "Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset", Proceedings Of The National Academy Of Sciences, 47 (2018), DOI: 10.1073/pnas.1607817115
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- Audrey Crousilles, Stephen K. Dolan, Paul Brear, Dima Y. Chirgadze, Martin Welch, "Gluconeogenic precursor availability regulates flux through the glyoxylate shunt in Pseudomonas aeruginosa", Journal Of Biological Chemistry (2018), DOI: 10.1074/jbc.RA118.004514
- Jianshu Dong, Daisuke Sasaki, Robert R. Eady, Svetlana V. Antonyuk, S. Samar Hasnain, "Identification of a tyrosine switch in copper-haem nitrite reductases", Iucrj, 5, 510 - 518 (2018), DOI: 10.1107/S2052252518008242
- Ivan Laponogov, Xiao-Su Pan, Dennis A. Veselkov, Galyna B. Skamrova, Trishant R. Umrekar, L. Mark Fisher, Mark Sanderson, "Trapping of the transport-segment DNA by the ATPase domains of a type II topoisomerase", Nature Communications, 9 (2018), DOI: 10.1038/s41467-018-05005-x
- [Thesis] Jamie Littlejohn, "Structural characterisation of oligosaccharide recognition by surfactant protein D" (2018)
- Franziska Thomas, William M. Dawson, Eric J. M. Lang, Antony J. Burton, Gail J. Bartlett, Guto G. Rhys, Adrian J. Mulholland, Derek N. Woolfson, "De novo-designed α-helical barrels as receptors for small molecules", Acs Synthetic Biology (2018), DOI: 10.1021/acssynbio.8b00225
- James M. Dunce, Orla M. Dunne, Matthew Ratcliff, Claudia Millán, Suzanne Madgwick, Isabel Uson, Owen R. Davies, "Structural basis of meiotic chromosome synapsis through SYCP1 self-assembly", Nature Structural & Molecular Biology, 7 (2018), DOI: 10.1038/s41594-018-0078-9
- Nicole Blaquiere, Georgette M. Castanedo, Jason D. Burch, Leonid M. Berezhkovskiy, Hans Brightbill, Suzanne Brown, Connie Chan, Po-Chang Chiang, James J. Crawford, Teresa Dong, Peter Fan, Jianwen Feng, Nico Ghilardi, Robert Godemann, Emily Gogol, Alice Grabbe, Alison J. Hole, Baihua Hu, Sarah G. Hymowitz, Moulay Hicham Alaoui Ismaili, Hoa Le, Patrick Lee, Wyne Lee, Xingyu Lin, Ning Liu, Paul Mcewan, Brent Mckenzie, Hernani Silvestre, Eric Suto, Swathi Sujathabhaskar, Guosheng Wu, Lawren C. Wu, Yamin Zhang, Steven T. Staben, "A scaffold-hopping approach to discover potent, selective and efficacious inhibitors of NF-κB inducing kinase", Journal Of Medicinal Chemistry (2018), DOI: 10.1021/acs.jmedchem.8b00678
- Jamie R. Littlejohn, Ruben F. Da Silva, William A. Neale, Carrie C. Smallcombe, Howard W. Clark, Rose-Marie A. Mackay, Alastair S. Watson, Jens Madsen, Derek W. Hood, Ian Burns, Trevor J. Greenhough, Annette K. Shrive, "Structural definition of hSP-D recognition of Salmonella enterica LPS inner core oligosaccharides reveals alternative binding modes for the same LPS", Plos One, 13 (2018), DOI: 10.1371/journal.pone.0199175
- Andrea Testa, Xavier Lucas, Guilherme V. Castro, Kwok-Ho Chan, Jane E. Wright, Andrew C. Runcie, Morgan S. Gadd, William T. A. Harrison, Eun-Jung Ko, Daniel Fletcher, Alessio Ciulli, "3-Fluoro-4-hydroxyprolines: Synthesis, conformational analysis and stereoselective recognition by the VHL E3 ubiquitin ligase for targeted protein degradation", Journal Of The American Chemical Society (2018), DOI: 10.1021/jacs.8b05807
- Lin Huang, David M. J. Lilley, "Structure and ligand binding of the SAM-V riboswitch", Nucleic Acids Research, 78 (2018), DOI: 10.1093/nar/gky520
- Radoslaw P. Nowak, Stephen L. Deangelo, Dennis Buckley, Zhixiang He, Katherine A. Donovan, Jian An, Nozhat Safaee, Mark P. Jedrychowski, Charles M. Ponthier, Mette Ishoey, Tinghu Zhang, Joseph D. Mancias, Nathanael S. Gray, James E. Bradner, Eric S. Fischer, "Plasticity in binding confers selectivity in ligand-induced protein degradation", Nature Chemical Biology, 14, 706 - 714 (2018), DOI: 10.1038/s41589-018-0055-y
- D. Sean Froese, Jolanta Kopec, Elzbieta Rembeza, Gustavo Arruda Bezerra, Anselm Erich Oberholzer, Terttu Suormala, Seraina Lutz, Rod Chalk, Oktawia Borkowska, Matthias R. Baumgartner, Wyatt W. Yue, "Structural basis for the regulation of human 5,10-methylenetetrahydrofolate reductase by phosphorylation and S-adenosylmethionine inhibition", Nature Communications, 9 (2018), DOI: 10.1038/s41467-018-04735-2
- Stephanie Oerum, Martine Roovers, Robert Rambo, Jola Kopec, Henry Bailey, Fiona Fitzpatrick, Joseph A. Newman, William G. Newman, Albert Amberger, Johannes Zschocke, Louis Droogmans, Udo Oppermann, Wyatt W. Yue, "Structural insight into the human mitochondrial tRNA purine N1-methyltransferase and Ribonuclease P complexes", Journal Of Biological Chemistry (2018), DOI: 10.1074/jbc.RA117.001286
- Leonardo Almeida-Souza, Rene A. W. Frank, Javier Garcia-Nafria, Adeline Colussi, Nushan Gunawardana, Christopher M. Johnson, Minmin Yu, Gillian Howard, Byron Andrews, Yvonne Vallis, Harvey T. Mcmahon, "A flat BAR Protein promotes actin polymerization at the base of clathrin-coated pits", Cell (2018), DOI: 10.1016/j.cell.2018.05.020
- Daniel A. Keedy, Zachary B. Hill, Justin T. Biel, Emily Kang, T. Justin Rettenmaier, Jose Brandao-Neto, Nicholas M. Pearce, Frank Von Delft, James A Wells, James Fraser, "An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering", Elife, 7 (2018), DOI: 10.7554/eLife.36307
- Andrew J. Thompson, Richard J. Spears, Yanping Zhu, Michael D. L. Suits, Spencer J. Williams, Harry J. Gilbert, Gideon J. Davies, "Bacteroides thetaiotaomicron generates diverse α-mannosidase activities through subtle evolution of a distal substrate-binding motif", Acta Crystallographica Section D Structural Biology, 74, 394 - 404 (2018), DOI: 10.1107/S2059798318002942
- Michele Tavanti, Joanne L. Porter, Colin Levy, Jose Ruben Gomez Castellanos, Sabine L. Flitsch, Nicholas J. Turner, "The crystal structure of P450-TT heme-domain provides the first structural insights into the versatile class VII P450s", Biochemical And Biophysical Research Communications (2018), DOI: 10.1016/j.bbrc.2018.05.014
- Andrew D. Lawrence, Emi Nemoto-Smith, Evelyne Deery, Joseph A. Baker, Susanne Schroeder, David G. Brown, Jennifer M. A. Tullet, Mark J. Howard, Ian R. Brown, Alison G. Smith, Helena I. Boshoff, Clifton E. Barry, Martin J. Warren, "Construction of fluorescent analogs to follow the uptake and distribution of cobalamin (vitamin B12) in bacteria, worms, and plants", Cell Chemical Biology (2018), DOI: 10.1016/j.chembiol.2018.04.012
- Katie Tungatt, Garry Dolton, Sophie B. Morgan, Meriem Attaf, Anna Fuller, Thomas Whalley, Johanneke D. Hemmink, Emily Porter, Barbara Szomolay, Maria Montoya, John A. Hammond, John J. Miles, David K. Cole, Alain Townsend, Mick Bailey, Pierre Rizkallah, Bryan Charleston, Elma Tchilian, Andrew K. Sewell, "Induction of influenza-specific local CD8 T-cells in the respiratory tract after aerosol delivery of vaccine antigen or virus in the Babraham inbred pig", Plos Pathogens, 14 (2018), DOI: 10.1371/journal.ppat.1007017
- Christian Roth, Olga V. Moroz, Antonio Ariza, Lars K. Skov, Keiichi Ayabe, Gideon J. Davies, Keith S. Wilson, "Structural insight into industrially relevant glucoamylases: flexible positions of starch-binding domains", Acta Crystallographica Section D Structural Biology, 74, 463 - 470 (2018), DOI: 10.1107/S2059798318004989
- Julian A. Rycroft, Bridget Gollan, Grzegorz J. Grabe, Alexander Hall, Angela M. Cheverton, Gerald Larrouy-Maumus, Stephen A. Hare, Sophie Helaine, "Activity of acetyltransferase toxins involved in Salmonella persister formation during macrophage infection", Nature Communications, 9 (2018), DOI: 10.1038/s41467-018-04472-6
- Meng Yuan, Iain W. Mcnae, Yiyuan Chen, Elizabeth A. Blackburn, Martin A. Wear, Paul A. M. Michels, Linda A. Fothergill-Gilmore, Ted Hupp, Malcolm D. Walkinshaw, "An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor", Biochemical Journal (2018), DOI: 10.1042/BCJ20180171
- Aurélie Mousnier, Andrew S. Bell, Dawid P. Swieboda, Julia Morales-Sanfrutos, Inmaculada Perez-Dorado, James A. Brannigan, Joseph Newman, Markus Ritzefeld, Jennie A. Hutton, Anabel Guedán, Amin S. Asfor, Sean W. Robinson, Iva Hopkins-Navratilova, Anthony J. Wilkinson, Sebastian L. Johnston, Robin J. Leatherbarrow, Tobias J. Tuthill, Roberto Solari, Edward W. Tate, "Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus", Nature Chemistry, 10, 599 - 606 (2018), DOI: 10.1038/s41557-018-0039-2
- Olga V. Moroz, Pernille Foged Jensen, Sean P Mcdonald, Nicholas Mcgregor, Elena Blagova, Gerard Comamala, Dorotea R. Segura, Lars Anderson, Santhosh M Vasu, Vasudeva P Rao, Lars Giger, Trine Holst Sørensen, Rune Nygaard Monrad, Allan Svendsen, Jens Erik Nielsen, Bernard Henrissat, Gideon Davies, Harry Brumer, Kasper D. Rand, Keith S. Wilson, "Structural dynamics and catalytic properties of a multi-modular xanthanase", Acs Catalysis (2018), DOI: 10.1021/acscatal.8b00666
- Christopher J. Holland, Bruce J. Maclachlan, Valentina Bianchi, Sophie J. Hesketh, Richard Morgan, Owen Vickery, Anna M. Bulek, Anna Fuller, Andrew Godkin, Andrew K. Sewell, Pierre Rizkallah, Stephen Wells, David Cole, "In silico and structural analyses demonstrate that intrinsic protein motions guide T cell receptor complementarity determining region loop flexibility", Frontiers In Immunology, 9 (2018), DOI: 10.3389/fimmu.2018.00674
- Catherine J. Lilley, Abbas Maqbool, Duqing Wu, Hazijah B. Yusup, Laura M. Jones, Paul R. J. Birch, Mark J. Banfield, Peter E. Urwin, Sebastian Eves-Van Den Akker, "Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene", Plos Genetics, 14 (2018), DOI: 10.1371/journal.pgen.1007310
- Monisha Pathania, Silvia Acosta-Gutierrez, Satya Pratyusha Bhamidimarri, Arnaud Basle, Mathias Winterhalter, Matteo Ceccarelli, Bert Van Den Berg, "Unusual constriction zones in the major porins OmpU and OmpT from Vibrio cholerae", Structure (2018), DOI: 10.1016/j.str.2018.03.010
- David C. Briggs, Erhard Hohenester, "Structural basis for the initiation of glycosaminoglycan biosynthesis by human xylosyltransferase 1", Structure (2018), DOI: 10.1016/j.str.2018.03.014
- [Science Highlight] Diamond Light Source, "Inscuteable: No longer inscrutable" (2018)
- Simone Culurgioni, Sara Mari, Paola Bonetti, Sara Gallini, Greta Bonetto, Martha Brennich, Adam Round, Francesco Nicassio, Marina Mapelli, "Insc:LGN tetramers promote asymmetric divisions of mammary stem cells", Nature Communications, 9 (2018), DOI: 10.1038/s41467-018-03343-4
- Hanan L. Messiha, Syed T. Ahmed, Vijaykumar Karuppiah, Reynier Suardiaz, Gabriel A. Ascue Avalos, Natalie Fey, Stephen Yeates, Helen S. Toogood, Adrian J. Mulholland, Nigel S. Scrutton, "Biocatalytic routes to lactone monomers for polymer production", Biochemistry (2018), DOI: 10.1021/acs.biochem.8b00169
- Marco Salomone-Stagni, Joseph D. Bartho, Eeshan Kalita, Martin Rejzek, Robert A. Field, Dom Bellini, Martin A. Walsh, Stefano Benini, "Structural and functional analysis of Erwinia amylovora SrlD. The first crystal structure of a sorbitol-6-phosphate 2-dehydrogenase", Journal Of Structural Biology (2018), DOI: 10.1016/j.jsb.2018.03.010
- Paul Brennan, David Bowkett, Romain Talon, Cynthia Tallant, Chris Schofield, Gordon Bruton, Frank Von Delft, Stefan Knapp, "Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces", Chemmedchem (2018), DOI: 10.1002/cmdc.201800030
- Selena G. Burgess, Manjeet Mukherjee, Sarah Sabir, Nimesh Joseph, Cristina Gutiérrez‐caballero, Mark W. Richards, Nicolas Huguenin‐dezot, Jason W. Chin, Eileen J. Kennedy, Mark Pfuhl, Stephen J. Royle, Fanni Gergely, Richard Bayliss, "Mitotic spindle association of TACC3 requires Aurora‐A‐dependent stabilization of a cryptic α‐helix", The Embo Journal (2018), DOI: 10.15252/embj.201797902
- Anastasia Amato, Xavier Lucas, Alessio Bortoluzzi, David Wright, Alessio Ciulli, "Targeting ligandable pockets on PHD zinc finger domains by a fragment-based approach", Acs Chemical Biology (2018), DOI: 10.1021/acschembio.7b01093
- Alice E. Parnell, Silja Mordhorst, Florian Kemper, Mariacarmela Giurrandino, Josh P. Prince, Nikola J. Schwarzer, Alexandre Hofer, Daniel Wohlwend, Henning J. Jessen, Stefan Gerhardt, Oliver Einsle, Petra C. F. Oyston, Jennifer N. Andexer, Peter L. Roach, "Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures", Proceedings Of The National Academy Of Sciences, 265 (2018), DOI: 10.1073/pnas.1710741115
- Pedro Soares, Xavier Lucas, Alessio Ciulli, "Thioamide substitution to probe the hydroxyproline recognition of VHL ligands", Bioorganic & Medicinal Chemistry (2018), DOI: 10.1016/j.bmc.2018.03.034
- S. Hollingshead, I. Jongerius, R. M. Exley, S. Johnson, S. Lea, C. M. Tang, "Structure-based design of chimeric antigens for multivalent protein vaccines", Nature Communications, 9 (2018), DOI: 10.1038/s41467-018-03146-7
- Yiyan Zheng, Ritika Sethi, Lingegowda S. Mangala, Charlotte Taylor, Juliet Goldsmith, Ming Wang, Kenta Masuda, Eli M. Carrami, David Mannion, Fabrizio Miranda, Sandra Herrero-Gonzalez, Karin Hellner, Fiona Chen, Abdulkhaliq Alsaadi, Ashwag Albukhari, Donatien Chedom Fotso, Christopher Yau, Dahai Jiang, Sunila Pradeep, Cristian Rodriguez-Aguayo, Gabriel Lopez-Berestein, Stefan Knapp, Nathanael S. Gray, Leticia Campo, Kevin A. Myers, Sunanda Dhar, David Ferguson, Robert C. Bast, Anil K. Sood, Frank Von Delft, Ahmed Ashour Ahmed, "Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation", Nature Communications, 9 (2018), DOI: 10.1038/s41467-017-02811-7
- Wipa Suginta, Natchanok Sritho, Araya Ranok, David Bulmer, Yoshihito Kitaoku, Bert Van Den Berg, Tamo Fukamizo, "Structure and function of a novel periplasmic chitooligosaccharide-binding protein from marine Vibrio bacteria", Journal Of Biological Chemistry (2018), DOI: 10.1074/jbc.RA117.001012
- Marco Salomone-Stagni, Joseph D. Bartho, Ivan Polsinelli, Dom Bellini, Martin Walsh, Nicola Demitri, Stefano Benini, "A complete structural characterization of the desferrioxamine E biosynthetic pathway from the fire blight pathogen Erwinia amylovora", Journal Of Structural Biology (2018), DOI: 10.1016/j.jsb.2018.02.002
- Dong Zhang, Marios S. Markoulides, Dmitrijs Stepanovs, Anna M. Rydzik, Ahmed El-Hussein, Corentin A. M. Bon, Jos J. A. G. Kamps, Klaus-Daniel Umland, Patrick M. Collins, Samuel T. Cahill, David Y. Wang, Timothy D. W. Claridge, Jurgen Brem, Michael Mcdonough, Christopher J. Schofield, "Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-β-lactamases", Bioorganic & Medicinal Chemistry (2018), DOI: 10.1016/j.bmc.2018.02.043
- Federica Prati, Fabio Zuccotto, Daniel Fletcher, Maire A. Convery, Raquel Fernandez-Menendez, Robert Bates, Lourdes Encinas, Jingkun Zeng, Chun-Wa Chung, Paco De Dios Anton, Alfonso Mendoza-Losana, Claire Mackenzie, Simon R. Green, Margaret Huggett, David Barros, Paul G. Wyatt, Peter C. Ray, "Screening of a novel fragment library with functional complexity against Mycobacterium tuberculosis InhA", Chemmedchem (2018), DOI: 10.1002/cmdc.201700774
- [Book Chapter] Julia A. Hubbard, Bing Xiao, Jon R. Wilson, "Production and crystallization of full-length human AMP-activated protein kinase (α1β1γ1)" (2018), DOI: 10.1007/978-1-4939-7598-3_1
- Hannes Ludewig, Clarissa M. Czekster, Emilia Oueis, Elizabeth S. Munday, Mohammed Arshad, Silvia A. Synowsky, Andrew F. Bent, James H. Naismith, "Characterization of the fast and promiscuous macrocyclase from plant PCY1 enables the use of simple substrates", Acs Chemical Biology (2018), DOI: 10.1021/acschembio.8b00050
- Peter C. E. Moody, Emma L. Raven, "The nature and reactivity of ferryl heme in compounds I and II", Accounts Of Chemical Research (2018), DOI: 10.1021/acs.accounts.7b00463
- Chris H. Hill, Georgia M. Cook, Samantha J. Spratley, Stuart Fawke, Stephen Graham, Janet E. Deane, "The mechanism of glycosphingolipid degradation revealed by a GALC-SapA complex structure", Nature Communications, 9 (2018), DOI: 10.1038/s41467-017-02361-y
- Chalada Suebsuwong, Daniel M. Pinkas, Soumya S. Ray, Joshua C. Bufton, Bing Dai, Alex N. Bullock, Alexei Degterev, Gregory D. Cuny, "Activation loop targeting strategy for design of receptor-interacting protein kinase 2 (RIPK2) inhibitors", Bioorganic & Medicinal Chemistry Letters (2018), DOI: 10.1016/j.bmcl.2018.01.044
- Jamal O. M. Almitairi, Umakhanth Venkatraman Girija, Christopher Furze, Xanthe Simpson-Gray, Farah Badakshi, Jamie E. Marshall, Wilhelm J. Schwaeble, Daniel A. Mitchell, Peter C. E. Moody, Russell Wallis, "Structure of the C1r–C1s interaction of the C1 complex of complement activation", Proceedings Of The National Academy Of Sciences, 265 (2018), DOI: 10.1073/pnas.1718709115
- Chatrin Chatrin, Sandeep K. Talapatra, Bruno Canard, Frank Kozielski, "The structure of the binary methyltransferase-SAH complex from Zika virus reveals a novel conformation for the mechanism of mRNA capping", Oncotarget, 9 (2018), DOI: 10.18632/oncotarget.23223
- Fiona J. Flett, Emilija Ruksenaite, Lee A. Armstrong, Shipra Bharati, Roberta Carloni, Elizabeth R. Morris, C. Logan Mackay, Heidrun Interthal, Julia M. Richardson, "Structural basis for DNA 3′-end processing by human tyrosyl-DNA phosphodiesterase 1", Nature Communications, 9 (2018), DOI: 10.1038/s41467-017-02530-z
- Peter Canning, Kwangjin Park, João Gonçalves, Chunmei Li, Conor J. Howard, Timothy D. Sharpe, Liam J. Holt, Laurence Pelletier, Alex N. Bullock, Michel R. Leroux, "CDKL family kinases have evolved distinct structural features and ciliary function", Cell Reports, 22, 885 - 894 (2018), DOI: 10.1016/j.celrep.2017.12.083
- Anuwat Aunkham, Michael Zahn, Anusha Kesireddy, Karunakar Reddy Pothula, Albert Schulte, Arnaud Basle, Ulrich Kleinekathöfer, Wipa Suginta, Bert Van Den Berg, "Structural basis for chitin acquisition by marine Vibrio species", Nature Communications, 9 (2018), DOI: 10.1038/s41467-017-02523-y
- Bassem M. Mohammed, Anton Matafonov, Ivan Ivanov, Mao-Fu Sun, Qiufang Cheng, S. Kent Dickeson, Chan Li, David Sun, Ingrid M. Verhamme, Jonas Emsley, David Gailani, "An update on factor XI structure and function", Thrombosis Research, 161, 94 - 105 (2018), DOI: 10.1016/j.thromres.2017.10.008
- Pedro Bule, Kate Cameron, José A. M. Prates, Luís M. A. Ferreira, Steven Philip Smith, Harry J. Gilbert, Edward A. Bayer, Shabir Najmudin, Carlos M. G A. Fontes, Victor Alves, "Structure–function analyses generate novel specificities to assemble the components of multi-enzyme bacterial cellulosome complexes", Journal Of Biological Chemistry (2018), DOI: 10.1074/jbc.RA117.001241
- Andrew Runcie, Michael Zengerle, Kwok-Ho Chan, Andrea Testa, Lars Van Beurden, Matthias Baud, Ola Epemolu, Lucy Ellis, Kevin Read, Victoria Coulthard, Alex Brien, Alessio Ciulli, "Optimization of a “bump-and-hole” approach to allele-selective BET bromodomain inhibition", Chemical Science (2018), DOI: 10.1039/C7SC02536J
- Yves Nkizinkiko, Jenny Desantis, Jarkko Koivunen, Teemu Haikarainen, Sudarshan Murthy, Luca Sancineto, Serena Massari, Federica Ianni, Ezeogo Obaji, Maria I. Loza, Taina Pihlajaniemi, Jose Brea, Oriana Tabarrini, Lari Lehtiö, "2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors", Scientific Reports, 8 (2018), DOI: 10.1038/s41598-018-19872-3
- Bassem M. Mohammed, Ivan Ivanov, Anton Matafonov, Jonas Emsley, David Gailani, "Activity of factor XII-Locarno", Research And Practice In Thrombosis And Haemostasis, 2, 168 - 173 (2018), DOI: 10.1002/rth2.12054
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