Institute for Structural and Chemical Biology


Members of the institute have published in a wide range of peer-reviewed journals, including Nature, Molecular Cell, Angewandte Chemie, JACS, Science Advances, Proceedings of the National Academy of Sciences USA, Nucleic Acids Research, Chemical Science and many others.


Baskaran K, Ploskon E, Tejero R, Yokochi M, Harrus D, Liang Y, Peisach E, Persikova I, Ramelot TA, Sekharan M, Tolchard J, Westbrook JD, Bardiaux B, Schwieters CD, Patwardhan A, Velankar S, Burley SK, Kurisu G, Hoch JC, Montelione GT, Vuister GW, Young JY. Restraint Validation of Biomolecular Structures Determined by NMR in the Protein Data Bank. Structure 32 (3). doi: 10.1101/2024.01.15.575520

Calver JF, Parmar NR, Harris G, Lithgo RM, Stylianou P, Zetterberg FR, Gooptu B, Mackinnon AC, Carr SB, Borthwick LA, Scott DJ, Stewart ID, Slack RJ, Jenkins RG, John AE. Defining the mechanism of galectin-3-mediated TGF-β1 activation and its role in lung fibrosis. J Biol Chem.  doi: 10.1016/j.jbc.2024.107300.

Dror I, Chitiashvili T, Tan SYX, Cano CT, Sahakyan A, Markaki Y, Chronis C, Collier AJ, Deng W, Liang G, Sun Y, Afasizheva A, Miller J, Wen Xiao, Douglas L. Black, Ding F, Plath K. XIST directly regulates X-linked and autosomal genes in naive human pluripotent cells. Cell 187, 1, doi:10.1016/j.cell.2023.11.033

John T, Saffoon N, Walsby-Tickle J, Hester SS, Dingler FA, Millington CL, McCullagh JSO, Patel KJ, Hopkinson RJ, Schofield CJ Aldehyde-mediated inhibition of asparagine biosynthesis has implications for diabetes and alcoholism Chem Sci. doi:/10.1039/D3SC06551K

Kalra S, Donnelly A, Singh N, Matthews D, Del Villar-Guerra R, Bemmer V, Dominguez C, Allcock N, Cherny D, Revyakin A, Rusling DA Functionalizing DNA Origami by Triplex-Directed Site-Specific Photo-Cross-Linking J. Am. Chem. Soc. DOI

Kara, H, Axer A, Muskett FW, Bueno-Alejo CJ, Paschalis V, Taladriz-Sender A, Tubasum S, Vega Marina S, Zhao Z, Clark AW, Hudson AJ, Eperon IC, Burley GA, Dominguez C. 2′-19F labelling of ribose in RNAs: a tool to analyse RNA/protein interactions by NMR in physiological conditions Front. Mol. Biosci.

Kwong H-S, Paloni M, Grandvuillemin L, Sirounian S, Ancelin A, Lai-Kee-Him J, Grimaldi M, Carivenc C, Lancey C, Ragan TJ, Hesketh EL, Balaguer P, Barducci A, Gruszczyk J, Bourguet W. Structural Insights into the Activation of Human Aryl Hydrocarbon Receptor by the Environmental Contaminant Benzo[a]pyrene and Structurally Related Compounds, Journal of Molecular Biology. doi:10.1016/j.jmb.2023.168411

Lane D, Allsopp R, Holmes CW, Slingsby OC, Jukes-Jones R, Bird P, Anderson NL, Razavi M, Yip R, Pearson TW, Pope M, Khunti K, Doykov I, Hällqvist J, Mills K, Skipp P, Carling R, Ng L, Shaw J, Gupta P, Jones DJL. A high throughput immuno-affinity mass spectrometry method for detection and quantitation of SARS-CoV-2 nucleoprotein in human saliva and its comparison with RT-PCR, RT-LAMP, and lateral flow rapid antigen test. Clin Chem Lab Meddoi: 10.1515/cclm-2023-0243

Li Y, Fang J, Singh K, Ortu F, Suntharalingam K. An immunogenic anti-cancer stem cell bi-nuclear copper(II)-flufenamic acid complex Dalton Transactions doi:/10.1039/D4DT00384E

Pitasse-Santos P, Hewitt-Richards I, Abeywickrama Wijewardana Sooriyaarachchi MD, Doveston RG. Harnessing the 14-3-3 protein-protein interaction network. Curr Opin Struct Biol. 28;86: 102822. doi: 10.1016/

Ward JA, Romartinez-Alonso B, Kay DF, Bellamy-Carter J, Thurairajah B, Basran J, Kwon H, Leney AC, Macip S, Roversi P, Muskett FW, Doveston RG Characterising the Protein-Protein Interaction Between MDM2 and 14-3-3σ; Proof of Concept for Small Molecule Stabilisation JBC. doi:/10.1016/j.jbc.2024.105651

Wills MFK, Bueno Alejo C, Hundt N, Hudson AJ, Eperon IC. FluoroTensor: identification and tracking of colocalised molecules and their stoichiometries in multi-colour single molecule imaging via deep learning, Computational and Structural Biotechnology Journal,

Xiao X, Kennelly JP, Feng A-C, Cheng L, Romartinez-Alonso B, Bedard A , Gao Y, Cui L, G. Young SG, Schwabe JWR, Tontonoz P Aster-B–dependent estradiol synthesis protects female mice from diet-induced obesity J Clin Invest. 134(4):e173002.


Amin H, Zahid S, Hall C, Chaplin AK. Cold snapshots of DNA repair: Cryo-EM structures of DNA-PKcs and NHEJ machinery. Prog Biophys Mol Biol. DOI: 10.1016/j.pbiomolbio.2023.11.007.

Fang J, Orobator O, Olelewe C, Passeri G, Singh K, Awuah S, Suntharalingam K. A Breast Cancer Stem Active Cobalt(III)-Cyclam Complex Containing Flufenamic Acid with Immunogenic Potential Angew. Chem. Int. Ed. , DOI: /10.1002/anie.202317940.

Smalley JP, Cowley SM, Hodgkinson JT MDM2 Antagonist Idasanutlin Reduces HDAC1/2 Abundance and Corepressor Partners but Not HDAC3 ACS Med. Chem. Lett. DOI: 10.1021/acsmedchemlett.3c00449

Kefala Stavridi A, Gontier A, Morin V, Frit P, Ropars V, Barboule N, Racca C, Jonchhe S, Morten MJ, Andreani J, Rak A, Legrand P, Bourand-Plantefol A, Hardwick SW, Chirgadze DY, Davey P, De Oliveira TM, Rothenberg E, Britton S, Calsou P, Blundell TL, Varela PF, Chaplin AK, Charbonnier JB. Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction. Nucleic Acids Res. 51(21):11732-11747. DOI: 10.1093/nar/gkad863. PMID: 37870477; PMCID: PMC10682503.

Baker IM, Smalley JP, Sabat KA, Hodgkinson JT, Cowley SM. Comprehensive Transcriptomic Analysis of Novel Class I HDAC Proteolysis Targeting Chimeras (PROTACs). Biochemistry. 62(3):645-656. DOI: 10.1021/acs.biochem.2c00288.

Buehl CJ, Goff NJ, Hardwick SW, Gellert M, Blundell TL, Yang W, Chaplin AK, Meek K. Two distinct long-range synaptic complexes promote different aspects of end processing prior to repair of DNA breaks by non-homologous end joining. Mol Cell. 2765(23)00032-1. DOI: 10.1016/j.molcel.2023.01.012.

Castelli LM, Lin YH, Sanchez-Martinez A, Gül A, Mohd Imran K, Higginbottom A, Upadhyay SK, Márkus NM, Rua Martins R, Cooper-Knock J, Montmasson C, Cohen R, Walton A, Bauer CS, De Vos KJ, Mead RJ, Azzouz M, Dominguez C, Ferraiuolo L, Shaw PJ, Whitworth AJ, Hautbergue GM. A cell-penetrant peptide blocking C9ORF72-repeat RNA nuclear export reduces the neurotoxic effects of dipeptide repeat proteins. Sci Transl Med. 15(685): DOI: 10.1126/scitranslmed.abo3823.

Chongdar N, Rodríguez-Maciá P, Reijerse E, Lubitz W, Ogata H, Birrell JA. Redox tuning of the H-cluster by second coordination sphere amino acids in the sensory [FeFe] hydrogenase from Thermotoga maritima, Chem. Sci., 14, 3682-3692. DOI: 10.1039/d2sc06432d.

Chothia, SY, Carr, M, Monks, PS,Cordell R, Hopkinson RJ. Quantitative detection of formaldehyde using solid phase microextraction gas chromatography–mass spectrometry coupled to cysteamine scavenging. Sci Rep 13, 14642 (2023). DOI: 10.1038/s41598-023-41609-0

Cowan R, Trokter M,Oleksy A, Fedorova M, SawmynadenK, Worzfeld T, Offermanns S, Matthews D, Carr MD, Hall G Nanobody inhibitors of Plexin-B1 identify allostery in plexin-semaphorin interactions and signalling.  J Biol Chem. DOI: 10.1016/j.jbc.2023.104740.

Emms VL, Lewis LA, Beja L, Bulman NFA, Pires E, Muskett FW, McCullagh JSO, Swift LP,  McHugh PJ, Hopkinson RJ N-Acyloxymethyl-phthalimides deliver genotoxic formaldehyde to human cells Chem Sci DOI:10.1039/d3sc02867d

Ferrari A, Whang E, Xiao X, Kennelly JP, Romartinez-Alonso B, Mack JJ, Weston T, Chen K, Kim Y, Tol MJ, Bideyan L, Nguyen A, Gao Y, Cui L, Bedard AH, Sandhu J, Lee SD, Fairall L, Williams KJ, Song W, Munguia P, Russell RA, Martin MG, Jung ME, Jiang H, Schwabe JWR, Young SG, Tontonoz P. Aster-dependent nonvesicular transport facilitates dietary cholesterol uptake. Science.  382(6671) DOI: 10.1126/science.adf0966

García-Nieto A, Patel A, Li Y, Oldenkamp R, Feletto L, Graham JJ, Willems L, Muir KW, Panne D, Rowland BD. Structural basis of centromeric cohesion protection. Nat Struct Mol Biol. DOI: 10.1038/s41594-023-00968-y.

Groleau RR, Chapman RSL, Lowe JP, Lyall CL, Kociok-Köhn G, James TD, Bull SD. BINOL as a chiral solvating agent for sulfiniminoboronic Acids. Anal Chem. doi: 10.1021/acs.analchem.3c01613.

Hardwick SW, Stavridi AK, Chirgadze DY, De Oliveira TM, Charbonnier JB, Ropars V, Meek K, Blundell TL, Chaplin AK. Cryo-EM structure of a DNA-PK trimer: higher order oligomerisation in NHEJ. Structure. S0969-2126(23)00167-3. : 10.1016/j.str.2023.05.013. DOI: 10.1016/j.str.2023.05.013.

Jackson RA, Britton RG, Jayne S, Lehmann S, Cowley CM, Trethewey CS, Smith VM, Schmid R, Fegan C, Walter HS, Dyer MJ. BTK mutations in patients with chronic lymphocytic leukemia (CLL) receiving tirabrutinib. Blood Adv. DOI: 10.1182/bloodadvances.2022009366.  

John T, Pires E, Hester SS, Salah E, Hopkinson RJ, Schofield CJ Formaldehyde reacts with N-terminal proline residues to give bicyclic aminals. Commun Chem 6, 12 . DOI: 10.1038/s42004-022-00801-5.

Johnson A, Olelewe C, Kim JH, Northcote-Smith J, Mertens RT, Passeri G, Singh K, Awuah SG, Suntharalingam K, The anti-breast cancer stem cell properties of gold(i)-non-steroidal anti-inflammatory drug complexes Chemical Science, 2023, 14, 557-565. DOI: 10.1039/d2sc04707A.

Kang-Pettinger T, Walker K, Brown R, Cowan R, Wright H, Baravalle R, Waters LC, Muskett FW, Bowler MW, Sawmynaden K, Coombs PJ, Carr MD, Hall G. Identification, binding, and structural characterization of single domain anti-PD-L1 antibodies inhibitory of immune regulatory proteins PD-1 and CD80. J Biol Chem. 299(1):102769. DOI: 10.1016/j.jbc.2022.102769.

Kefala Stavridi A, Gontier A, Morin V, Frit P, Ropars V, Barboule N, Racca C, Jonchhe S, Morten MJ, Andreani J, Rak A, Legrand P, Bourand-Plantefol A, Hardwick SW, Chirgadze DY, Davey P, De Oliveira TM, Rothenberg E, Britton S, Calsou P, Blundell TL, Varela PF, Chaplin AK, Charbonnier JB. Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction. Nucleic Acids Res. 2023 Oct 23:gkad863. DOI: 10.1093/nar/gkad863. PMID: 37870477.

Kuzdere T, Flury V, Schalch T, Iesmantavicius V, Hess D, Bühler M. Differential phosphorylation of Clr4SUV39H by Cdk1 accompanies a histone H3 methylation switch that is essential for gametogenesis. EMBO Rep. 24(1):e55928. DOI: 10.15252/embr.202255928.

Martini MA, Bikbaev K, Pang Y, Lorent C, Wiemann C, Breuer N,  Zebger I, DeBeer S, Span I, Bjornsson R,  Birrell JA, Rodríguez-Maciá P. Binding of exogenous cyanide reveals new active-site states in [FeFe] hydrogenases; Chem. Sci., 14, 2826-2838. DOI: 10.1039/D2SC06098A.

Northcote-Smith J, Suntharalingam K. Targeting chemotherapy-resistant tumour sub-populations using inorganic chemistry: Anti-cancer stem cell metal complexes. Curr Opin Chem Biol. 72:102237. doi: 10.1016/j.cbpa.2022.102237. Epub 2022 Dec 19. PMID: 36542889.

Osei P, Northcote-Smith J, Fang J, Singh K, Ortu F, Suntharalingam K. The Bulk Breast Cancer Cell and Breast Cancer Stem Cell Activity of Bi-nuclear Copper(II)-Phenanthroline Complexes. Chemistry. DOI: 10.1002/chem.202301188

Passeri, G., Vincent, R. A., Xiao, Z., Northcote-Smith, J., Suntharalingam, K. Encapsulation and Delivery of an Osteosarcoma Stem Cell Active Gallium(III)-Diflunisal Complex Using Polymeric Micelles. ChemMedChem 2023, e202200599. DOI: 10.1002/cmdc.202200599.

Passeri G, Northcote-Smith J, Suntharalingam K. Payload Release Profile and Anti-Cancer Stem Cell Properties of Compositionally Different Polymeric Nanoparticles Containing a Copper(II) Complex. Molecules. 28(6):2506. doi: 10.3390/molecules28062506. PMID: 36985478; PMCID: PMC10051418.

Patel U, Smalley JP, Hodgkinson JT. PROTAC chemical probes for histone deacetylase enzymes. RSC Chem Biol. 2023 Jul 27;4(9):623-634. doi: 10.1039/d3cb00105a.

Ragan TJ, Vincent HA. PCR-Based Assembly of Gene Sequences by Thermodynamically Balanced Inside-Out (TBIO) Gene Synthesis. Methods Mol Biol. 2633:65-79. DOI: 10.1007/978-1-0716-3004-4_6.

Sawmynaden K, Wong N, Davies S, Cowan R, Brown R, Tang D, Henry M, Tickle D, Matthews D, Carr M, Bakrania P, Hoi Ting H, Hall G. Co-crystallisation and humanisation of an anti-HER2 single-domain antibody as a theranostic tool. PLoS One. 18(7):e0288259. DOI: 10.1371/journal.pone.0288259.

Saward BG, Leissing TM, Clifton IJ, Tumber A, Timperley CM, Hopkinson RJ, Schofield CJ. Biochemical and Structural Insights into FIH-Catalysed Hydroxylation of Transient Receptor Potential Ankyrin Repeat Domains ChemBioChem 2023, e202200576. DOI: 10.1002/cbic.202200576.

Seif-El-Dahan M, Kefala-Stavridi A, Frit F, Hardwick SW, Chirgadze DY, Maia De Oliviera T, Britton S, Barboule N, Bossaert M, Prasad Pandurangan A, Meek K, Blundell TL, Ropars V, Calsou P, Charbonnier J-B, Chaplin AK. PAXX binding to the NHEJ machinery explains functional redundancy with XLFPAXX and XLF functional redundancy Science Advances 9, Issue 22. DOI: 10.1126/sciadv.adg2834.

Shaw DJ, Waters LC, Strong SL, Schulze MED, Greetham GM, Towrie M, Parker AW, Prosser CE, Henry AJ, Lawson ADG, Carr MD, Taylor RJ, Hunt NT, Muskett FW. Modulation of IL-17 backbone dynamics reduces receptor affinity and reveals a new inhibitory mechanism. Chem Sci. 2023 Jun 16;14(27):7524-7536. doi: 10.1039/d3sc00728f. PMID: 37449080; PMCID: PMC10337760. DOI: 10.1039/d3sc00728f.

Singh K, Northcote-Smith J,   Kuldip Singh K, Suntharalingam K. Cancer stem cell activity of copper(II)-terpyridine complexes with aryl sulfonamide groups Dalton Transactions. DOI 10.1039/D3DT01294H.

Solomon JJ, Danoff SK, Woodhead FA, Hurwitz S, Maurer R, Glaspole I, Dellaripa PF, Gooptu B, Vassallo R, Cox PG, Flaherty KR, Adamali HI, Gibbons MA, Troy L, Forrest IA, Lasky JA, Spencer LG, Golden J, Scholand MB, Chaudhuri N, Perrella MA, Lynch DA, Chambers DC, Kolb M, Spino C, Raghu G, Goldberg HJ, Rosas IO; TRAIL1 Network Investigators. Safety, tolerability, and efficacy of pirfenidone in patients with rheumatoid arthritis-associated interstitial lung disease: a randomised, double-blind, placebo-controlled, phase 2 study. Lancet Respir Med. 2023; DOI: 10.1016/S2213-2600(22)00260-0.

Stewart I, Jacob J, George PM, Molyneaux PL, Porter JC, Allen RJ, Aslani S, Baillie JK, Barratt SL, Beirne P, Bianchi SM, Blaikley JF, Chalmers JD, Chambers RC, Chadhuri N, Coleman C, Collier G, Denneny EK, Docherty A, Elneima O, Evans RA, Fabbri L, Gibbons MA, Gleeson FV, Gooptu B, Greening NJ, Guio BG, Hall IP, Hanley NA, Harris V, Harrison EM, Heightman M, Hillman TE, Horsley A, Houchen-Wolloff L, Jarrold I, Johnson SR, Jones MG, Khan F, Lawson R, Leavy O, Lone N, Marks M, McAuley H, Mehta P, Parekh D, Hanley KP, Platé M, Pearl J, Poinasamy K, Quint JK, Raman B, Richardson M, Rivera-Ortega P, Saunders L, Saunders R, Semple MG, Sereno M, Shikotra A, Simpson AJ, Singapuri A, Smith DJF, Spears M, Spencer LG, Stanel S, Thickett DR, Thompson AAR, Thorpe M, Walsh SLF, Walker S, Weatherley ND, Weeks ME, Wild JM, Wootton DG, Brightling CE, Ho LP, Wain LV, Jenkins GR. Residual Lung Abnormalities after COVID-19 Hospitalization: Interim Analysis of the UKILD Post-COVID-19 Study. Am J Respir Crit Care Med. 207:693-703. PMID: 36457159 DOI: 10.1164/rccm.202203-0564OC.

Tariq M, Ikeya T, Togashi N, Fairall L, Kamei S, Mayooramurugan S, Abbott LR, Hasan A, Bueno-Alejo C, Sukegawa S, Romartinez-Alonso B, Muro Campillo MA, Hudson AJ, Ito Y, Schwabe JWR, Cyril Dominguez C, Tanaka K. Complex formation of oncogenic K-Ras4BG12V and Rgl2, a RalA/B activator Life Science Alliance 7 (1) e202302080; DOI: 10.26508/lsa.202302080 

Tibbetts JD, Hutchby M, Cunningham WB, Chapman RSL, Kociok-Köhn G, Davidson MG, Bull SD. Sustainable Syntheses of Paracetamol and Ibuprofen from Biorenewable β-pinene. ChemSusChem. DOI: 10.1002/cssc.202300670.

Valand N, Gazioglu O, Yesilkaya H, Shivkumar M, Horley N, Arroo R, Wallis R, Kishore U, Venkatraman Girija U. Interactions of Candida tropicalis pH-related antigen 1 with complement proteins C3, C3b, factor-H, C4BP and complement evasion. Immunobiology. 228(1):152303. DOI: 10.1016/j.imbio.2022.152303.

Verhoef CJA, Kay DF, van Dijck L, Doveston RG, Brunsveld L, Leney AC, Cossar PJ  Tracking the mechanism of covalent molecular glue stabilization using native mass spectrometry  Chem. Sci.DOI: 10.1039/D3SC01732J.

Walker K, Baravalle R, Holyfield R, Kalms J, Wright H, Seewooruthun C, Muskett FW, Scott-Tucker A, Merritt A, Henry A, Lawson ADG, Hall G, Prosser C, Carr MD. Identification and characterisation of anti-IL-13 inhibitory single domain antibodies provides new insights into receptor selectivity and attractive opportunities for drug discovery Front Immunol. 2023 Jul 6;14:1216967. eCollection 2023. DOI: 10.3389/fimmu.2023.1216967

Walker V, Vuister GW. Biochemistry and pathophysiology of the Transient Potential Receptor Vanilloid 6 (TRPV6) calcium channel. Adv Clin Chem.113:43-100. DOI: 10.1016/bs.acc.2022.11.002.

Wang S, Fairall L, Pham TK, Ragan TJ, Vashi D, Collins MO, Dominguez C, Schwabe JWR. A potential histone-chaperone activity for the MIER1 histone deacetylase complex. Nucleic Acids Res. DOI: 10.1093/nar/gkad294.

Wilkinson AJ, Ooi N, Finlayson J, Lee VE, Lyth D, Maskew KS, Newman R, Orr D, Ansell K, Birchall K, Canning P, Coombs P, Fusani L, McIver E, Pisco J, Ireland PM, Jenkins C, Norville IH, Southern SJ, Cowan R, Hall G, Kettleborough C, Savage VJ, Cooper IR. Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors. Bioorg Med Chem Lett. DOI: 10.1016/j.bmcl.2023.129331.


Ameerul A, Almasmoum H, Pavanello L, Dominguez C, Winkler GS  Structural model of the human BTG2-PABPC1 complex by combining mutagenesis, NMR chemical shift perturbation data and molecular docking. J. Mol. Biol. 434, 167662. DOI: 10.1016/j.jmb.2022.167662.

Abdullah IT, Ulijasz AT, Girija UV, Tam S, Andrew P, Hiller NL, Wallis R, Yesilkaya H. Structure-function analysis for the development of peptide inhibitors for a Gram-positive quorum sensing system. Mol Microbiol. 117(6):1464-1478. DOI: 10.1111/mmi.14921

Archibald LJ, Brown EA, Millard CJ, Watson PJ, Robertson NS, Wang S, Schwabe JWR, Jamieson AG. Hydroxamic Acid-Modified Peptide Library Provides Insights into the Molecular Basis for the Substrate Selectivity of HDAC Corepressor Complexes. ACS Chem Biol. 17(9):2572-2582. DOI:10.1021/acschembio.2c00510.

Baker IM, Smalley JP, Sabat KA, Hodgkinson JT, and Cowley SM Comprehensive Transcriptomic Analysis of Novel Class I HDAC Proteolysis Targeting Chimeras (PROTACs) Biochemistry DOI: 10.1021/acs.biochem.2c00288

Bate N, Savva CG, Moody PCE, Brown EA, Evans SE, Ball JK, Schwabe JWR, Julian E. Sale JE, Brindle NPJ. In vitro evolution predicts emerging SARS-CoV-2 mutations with high affinity for ACE2 and cross-species binding Plos pathogens. DOI: 10.1371/journal.ppat.1010733

Becker J, Lielpetere A, Szczesny J, Junqueira J, Rodríguez-Maciá P, Birrell J, Conzuelo F, Schuhmann W. Bioelectrocatalytic CO2 Reduction by Redox Polymer Wired Carbon Monoxide Dehydrogenase Gas Diffusion Electrodes; ACS Appl. Mater. Interfaces, 14, 46421–46426. DOI: 10.1021/acsami.2c09547.

Bhogadia m, Stone B, Del Villar Guerra R, Muskett FW, Ghosh S, Taladriz-Sender A, Burley GA, Eperon IC, Hudson AJ, Dominguez C Biophysical characterisation of the Bcl-x pre-mRNA and binding specificity of the ellipticine derivative GQC-05: Implication for alternative splicing regulation Frontiers in Molecular Biosciences 9 DOI: 10.3389/fmolb.2022.943105

Bidula S, Nadzirin IB, Cominetti M, Hickey H, Cullum SA, Searcey M, Schmid R, Fountain SJ. Structural Basis of the Negative Allosteric Modulation of 5-BDBD at Human P2X4 Receptors. Mol Pharmacol. 101(1):33-44.

Bilkei-Gorzo O, Heunis T, Marín-Rubio JL, Cianfanelli FR, Raymond BBA, Inns J, Fabrikova D, Peltier J, Oakley F, Schmid R, Härtlova A, Trost M. The E3 ubiquitin ligase RNF115 regulates phagosome maturation and host response to bacterial infection. EMBO J. ;41(23): DOI:10.15252/embj.2021108970

Blair K, Tehseen M, Raducanu VS, Shahid T, Lancey C, Rashid F, Creuhet R, Hamdan SM, De Biasio A. Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing. Nat Commun 13, 7833 DOI: 10.1038/s41467-022-35475-z

Brotherton DH, Savva CG, Ragan TJ, Dale N, Cameron AD. Conformational changes and CO2-induced channel gating in connexin26. StructureDOI: 10.1016/j.str.2022.02.010

Bueno-Alejo, C.J., Santana Vega, M., Chaplin, A., Farrow, C., Axer, A., Burley, G.A., Dominguez, C., Kara, H., Paschalis, V., Tubasum, S., Eperon, I.C., Clark, A.W., and Hudson, A.J. (2022). Surface passivation with a perfluoroalkane brush improves the precision of single molecule measurements. ACS Appl. Mater. Interfaces 14, 49604−49616. DOI:10.1021/acsami.2c16647

Cross JM,  Coulson ME, Smalley JP, Pytel WA, Ismail O,  Trory JS, Cowley SM, Hodgkinson JT.  A ‘click’ chemistry approach to novel entinostat (MS-275) based class I histone deacetylase proteolysis targeting chimeras RSC Medicinal Chemistry DOI: DOI:10.1039/D2MD00199C

Dayl, S, Schmid, R.Fully Flexible Ligand Docking for the P2X7 Receptor Using ROSIE. In: Nicke, A. (eds) The P2X7 Receptor. Methods in Molecular Biology, vol 2510. Humana, New York, NY. DOI:10.1007/978-1-0716-2384-8_4

Dhokia V, Moss JAY, Macip S, Fox JL. At the Crossroads of Life and Death: The Proteins That Influence Cell Fate Decisions. Cancers (Basel). 4(11):2745. DOI: 10.3390/cancers14112745.

Farzand R, Haigh RD, Monk P, Haldar P, Patel H, Pareek M, Verma R, Barer MR, Woltmann G, Ahyow L, Jagatia H, Decker J, Mukamolova GV, Cooper AM, Garton NJ, O'Hare HM. A Persistent Tuberculosis Outbreak in the UK Is Characterized by Hydrophobic fadB4-Deficient Mycobacterium tuberculosis That Replicates Rapidly in Macrophages. mBio. 13(6):e0265622. doi: 10.1128/mbio.02656-22.

Freeman SL, Skafar V, Kwon H, Fielding AJ, Moody PCE, Martínez A, Issoglio F, Inchausti L, Smircich P, Zeida A, Piacenza L, Radi R, Raven EL, Crystal Structure of Trypanosoma cruzi Heme Peroxidase and Characterisation of its Substrate Specificity and Compound I Intermediate, Journal of Biological Chemistry, DOI:10.1016/j.jbc.2022.102204.

Gooptu B. Surfactant protein C mutations and familial pulmonary fibrosis: stuck in a loop on the scenic route European Respiratory Journal 2022 59: 2102147; DOI: 10.1183/13993003.02147-2021

Ibrahim Z, Wang T, Destaing O, Salvi N, Hoghoughi N, Chabert C, Rusu A, Gao J, Feletto L, Reynoird N, Schalch T, Zhao Y, Blackledge M, Khochbin S, Panne D. Structural insights into p300 regulation and acetylation-dependent genome organisation. Nat Commun 13, 7759 DOI:10.1038/s41467-022-35375-2

Jobbins AM, Campagne S, Weinmeister R, Lucas CM, Gosliga AR, Clery A , Chen L, Eperon LP, Hodson MJ, Hudson AJ, Allain FHT, Eperon IC. Exon-independent recruitment of SRSF1 is mediated by U1 snRNP stem-loop 3 The EMBO Journal 41(1):e107640. DOI: 10.15252/embj.2021107640. 

Johnson A, Olelewe C, Northcote-Smith J,  Mertens RT, Passeri G, Singh K,  Awuah SG and Suntharalingam K, The Anti-Breast Cancer Stem Cell Properties of Gold(I)-NonSteroidal Anti-Inflammatory Drug Complexes Chem Sci DOI: 10.1039/d2sc04707a

Johnson A, Iffland L, Northcote-Smith J,  Singh K,  Ortu F, Apfel U and Suntharalingam K, A bioinspired redox-modulating copper(II)-macrocyclic complex bearing non-steroidal anti-inflammatory drugs with anti-cancer stem cell activity Dalton Trans., DOI: 10.1039/D2DT00788F.

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Liang S, Thomas SE, Chaplin AK, Hardwick SW, Chirgadze DY, Blundell TL. Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs NatureDOI:101038/s41586-021-04274-9.

Lorenzi M,  Gellett J, Zamader A,  Senger M, Duan Z, Rodríguez-Maciá P and Berggren G. Investigating the role of the strong field ligands in [FeFe] hydrogenase: spectroscopic and functional characterization of a semi-synthetic mono-cyanide active site; Chem. Sci., 13, 11058-11064. DOI: 10.1039/d2sc02271k.

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Mureddu LG, Vuister GW. Fragment-Based Drug Discovery by NMR. Where Are the Successes and Where can It Be Improved?  Frontiers in Molecular Biosciences  9. DOI:10.3389/fmolb.2022.834453.

Passeri G, Northcote-Smith J, Perera R, Gubic N, Suntharalingam K. An Osteosarcoma Stem Cell Potent Nickel(II)-Polypyridyl Complex Containing Flufenamic Acid. Molecules.; 27(10):3277.

Passeri G,   Northcote-Smith J  and  Suntharalingam K. Delivery of an immunogenic cell death-inducing copper complex to cancer stem cells using polymeric nanoparticles RSC AdvancesDOI:10.1039/D1RA08788F.

Smalley JP, Baker IM , Pytel WA, Lin L-Y, Bowman KJ,. Schwabe JWR, Cowley SM, Hodgkinson JT. Optimization of Class I Histone Deacetylase PROTACs Reveals that HDAC1/2 Degradation is Critical to Induce Apoptosis and Cell Arrest in Cancer Cells J. Med. Chem.

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Valand N, Brunt E, Gazioglu O, Yesilkaya H, Mitchell D, Horley N, Arroo R, Kishore U, Wallis R, Venkatraman Girija U. Inactivation of the Complement Lectin Pathway by Candida tropicalis Secreted Aspartyl Protease-1. Immunobiology. 227(6):152263. DOI: 10.1016/j.imbio.2022.152263

Vincent R, Passeri G, Northcote-Smith J, Singh K, Suntharalingam K. The Osteosarcoma Stem Cell Activity of a Gallium(III)-Phenanthroline Complex Appended to Salicylate ChemBioChem DOI: 10.1002/cbic.202200532

Walker K, Waters LC, Kelly G, Muskett FW, Carr MD. Sequence-specific 1H, 13C and 15N backbone NMR assignments for the N-terminal IgV-like domain (D1) and full extracellular region (D1D2) of PD-L1. Biomol NMR Assign. DOI: 10.1007/s12104-022-10092-5. PMID: 35675028.

Wang ZA, Whedon SD, Wu M, Wang S, Brown EA, Anmangandla A, Regan L, Lee K, Du J, Hong JY, Fairall L, Kay T, Lin H, Zhao Y , Schwabe JWR, Cole PA   Histone H2B Deacylation Selectivity: Exploring Chromatin’s Dark Matter with an Engineered Sortase J. Am. Chem. Soc. DOI:10.1021/jacs.1c13555

Xiao Z, Northcote-Smith J, Johnson A, Singh K, Suntharalingam K. The Cancer Stem Cell Potency of Group 10-Azadiphosphine Metal Complexes Eur. J. Inorg. Chem., e202200427


Alsulami AF, Torres PHM, Moghul I, Arif SM, Chaplin AK, Vedithi SC, Blundell TL. COSMIC Cancer Gene Census 3D database: understanding the impacts of mutations on cancer targets  Brief Bioinform. Volume 22, Issue 6

Ash PA, Kendall-Price S,   Evans RM,   Carr SB,   Brasnett A,   Morra S,   Hidalgo R,   Healy AJ,   Cinque G, Frogley M, Armstrong FA and Vincent  KA. The crystalline state as a dynamic system: IR microspectroscopy under electrochemical control for a [NiFe] hydrogenase. Chemical ScienceDOI:/10.1039/D1SC01734A

Ayna A, Moody PCE. Crystal structures of a dual coenzyme specific glyceraldehyde-3-phosphate dehydrogenase from the enteric pathogen Campylobacter jejuni. J Molecular Structure 1242 (130820) DOI :10.1016/j.molstruc.2021.130820

Bailey LT, Northall SJ, Schalch T. Breakers and amplifiers in chromatin circuitry: acetylation and ubiquitination control the heterochromatin machinery. Current Opinion in Structural Biology, 71, 156-16

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Barratt SL, Creamer AW, Adamali HI, Duckworth A, Fallon J, Fidan S, Nancarrow T, Wollerton R, Steward M, Gooptu B, Gibbons M, Woodhead FA, Scotton C. Use of peripheral neutrophil to lymphocyte ratio and peripheral monocyte levels to predict survival in fibrotic hypersensitivity pneumonitis (fHP): a multicentre retrospective cohort study. BMJ Open Respir Res.; 8:e001063.  DOI: 10.1136/bmjresp-2021-001063 

Basran J, Booth ES, Campbell LP, Thackray SJ, Jesani MH, Clayden J, Moody PCE, Mowat CG, Kwon H, Raven EL. Binding of l-kynurenine to X. campestris tryptophan 2,3-dioxygenase. J Inorg Biochem. 225:111604. 

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Blundell TL, Chaplin AK. The resolution revolution in X-ray diffraction, Cryo-EM and other Technologies. Prog Biophys Mol Biol.;160:2-4.

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Chaplin AK, Hardwick SW, Liang S, Kefala Stavridi A, Hnizda A, Cooper LR, De Oliveira TM, Chirgadze DY, Blundell TL. Dimers of DNA-PK create a stage for DNA double-strand break repair.  Nat Struct Mol Biol. 28(1):13-19.

Chaplin AK, Hardwick SW, Stavridi AK, Buehl CJ, Goff NJ, Ropars V, Liang S, De Oliveira TM, Chirgadze DY, Meek K, Charbonnier JB, Blundell TL. Cryo-EM of NHEJ supercomplexes provides insights into DNA repair. Mol Cell. 81(16):3400-3409.

Chen X, Chothia SY, Basran J , Hopkinson RJ  Formaldehyde regulates tetrahydrofolate stability and thymidylate synthase catalysis ChemComm 57, 5778-5781

Destro R, Roversi P, Barzaghi M, Lo Presti L. Anharmonic Thermal Motion Modelling in the Experimental XRD Charge Density Determination of 1-Methyluracil at T = 23 K. Molecules 26, 3075. DOI:10.3390/molecules26113075

Falcicchio M, Ward JA, Chothia SY, Basran J,  Mohindra A, Macip S, Roversi P, Doveston RG Cooperative stabilisation of 14-3-3σ protein–protein interactions via covalent protein modification Chemical Science

Farzand R, Rajakumar K, Barer MR, Freestone PPE, Mukamolova GV, Oggioni MR, O'Hare HM. A Virulence Associated Siderophore Importer Reduces Antimicrobial Susceptibility of Klebsiella pneumoniae. Front Microbiol. 12:607512. doi: 10.3389/fmicb.2021.607512.

Fox JL, Hughes, MA, Powley IR, Juke-Jones R, Ragan TJ, Dinsdale D, Fairall L, Schwabe JWR, Morone N, Cain K, MacFarlane M. Cryo-EM structural analysis of FADD:Caspase-8 complexes defines the catalytic dimer architecture for coordinated control of cell fate. Nature Communications 12(1):819

Fox JL, Dickens LS, Juke-Jones R, Gareth J Miles GJ,  Langlais C, Cain K, MacFarlane M. Characterisation of FADD interactome reveals novel insights into FADD recruitment and signalling at the Death Inducing Signalling Complex (DISC) bioRxiv 2021.03.25.436271; DOI:10.1101/2021.03.25.436271

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Gallio AE, Fung SS, Cammack-Najera A, Hudson AJ, Raven EL. Understanding the Logistics for the Distribution of Heme in Cells. JACS 1(10):1541-1555.

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Hnízda A, Tesina P, Nguyen TB, Kukačka Z, Kater L, Chaplin AK, Beckmann R, Ascher DB, Novák P, Blundell TL. SAP domain forms a flexible part of DNA aperture in Ku70/80. FEBS J. 288(14):4382-4393.

Hsu KF, Wilkins SE, Hopkinson RJ, Sekirnik R, Flashman E, Kawamura A, McCullagh JSO, Walport LJ, Schofield CJ. Hypoxia and hypoxia mimetics differentially modulate histone post-translational modifications. Epigenetics 16(1):14-27. DOI: 10.1080/15592294.2020.1786305

Jobbins AM, Campagne S, Weinmeister R, Lucas CM, Gosliga AR, Clery A , Chen L, Eperon LP, Hodson MJ, Hudson AJ, Allain FHT, Eperon IC. Exon-independent recruitment of SRSF1 is mediated by U1 snRNP stem-loop 3 The EMBO Journal

Johnson A, Iffland L, Singh K, Apfel U and Suntharalingam K. A dithiacyclam-coordinated silver(I) polymer with anti-cancer stem cell activity. Dalton Trans. DOI: 10.1039/D1DT01155C.

Kwon H, Basran J, Booth ES, Campbell LP, Thackray SJ, Moody PCE, Mowat CG, Raven EL. () Crystal Structure of Xanthomonas campestris Tryptophan 2,3-dioxygenase (TDO). J. Inorganic Biochemistry 225, 111604

Kwon H, Basran J, Pathak C, Hussain M, Freeman SL, Fielding AJ, Bailey AJ, Stefanou N, Sparkes HA, Tosha T, Yamashita K, Kunio Hirata K, Murakami H, Ueno G, Ago H, Tono K, Yamamoto M, Sawai H, Shiro Y, Sugimoto H, Raven E, and Moody PCE. XFEL Crystal Structures of Peroxidase Compound II. Angew. Chem. Int. Ed. 60 (26) 14578-14585

Lancey C, Tehseen M, Bakshi S, Percival M, Takahashi M, Sobhy MA, Raducanu VS, Blair K, Muskett FW, Ragan TJ, Crehuet R, Hamdan SM, De Biasio A. Cryo-EM structure of human Pol κ bound to DNA and mono-ubiquitylated PCNA. Nat Commun 12, 6095

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Liang S, Chaplin AK, Stavridi AK, Appleby R, Hnizda A, Blundell TL. Stages, scaffolds and strings in the spatial organisation of non-homologous end joining: Insights from X-ray diffraction and Cryo-EM. Prog Biophys Mol Biol. 163:60-73.

Meijer FA, van den Oetelaar MCM, Doveston RG, Sampers ENR, Brunsveld L. Covalent Occlusion of the RORγt Ligand Binding Pocket Allows Unambiguous Targeting of an Allosteric Site ACS Medicinal Chemistry Letters Article ASAP DOI: 10.1021/acsmedchemlett.1c00029

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Munir A, Wilson MT, Hardwick SW, Chirgadze DY, Worrall JAR, Blundell TL, Chaplin AK. Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis. Structure. 29(8):899-912.e4

Norman RL, Singh R, Muskett FW, Parrott EL, Rufini A, Langridge JI, Runau F, Dennison A, Shaw JA, Piletska E, Canfarotta F, Ng LL, Piletsky S, Jones DJL. Mass spectrometric detection of KRAS protein mutations using molecular imprinting. Nanoscale; 13(48):20401-20411.

Northcote-Smith J, Johnson A, Singh K, Ortu F, Suntharalingam K. Breast Cancer Stem Cell Active Copper(II) Complexes with Naphthol Schiff Base and Polypyridyl Ligands. Inorganics. 9(1):5.

Northcote-Smith J, Pooja Kaur, Suntharalingam K. A Cancer Stem Cell Potent Copper(II) Complex with a S,N,S-Schiff base Ligand and Bathophenanthroline. European Journal of Inorganic Chemistry. Eur. J. Inorg. Chem. DOI:10.1002/ejic.202100125

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Sobhy MA, Tehseen M, Takahashi M, Bralić A, De Biasio A, Hamdan SM. Implementing fluorescence enhancement, quenching, and FRET for investigating flap endonuclease 1 enzymatic reaction at the single-molecule level. Comput Struct Biotechnol J; 19: 4456-4471.

Stirpe A, Guidotti N, Northall SJ, Kilic S, Hainard A, Vadas O, Fierz B, Schalch T. SUV39 SET domains mediate crosstalk of heterochromatic histone marks. eLife 2021;10:e62682. DOI: 10.7554/eLife.6268

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Wardlaw AJ, Barwell J, Hitchman C, Shrine N, Bennett N, Adewoye A, Ozturk H, Ntereke T, Wurm P, Tobin M, Gooptu B, Hollox E, Wain LV. Familial hypereosinophilia associated with eosinophilic gastrointestinal symptoms in individuals with a missense mutation in CKLF-like MARVEL transmembrane domain containing 3. Clin Exp Allergy. 00: 1– 4. 

Waters LC, Veverka V, Strong SL, Muskett FW, Dedi N, Lawson ADG, Prosser CE, Taylor RJ, Henry AJ, Carr MD. Conformational dynamics in interleukin 17A and 17F functional complexes is a key determinant of receptor A affinity and specificity. Cytokine. 142:155476. 

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Xiao, X, Kim, Y, Romartinez-Alonso, B, Sirvydis, K, Ory, D, Schwabe JWR, Jung, ME and Tontonoz, P. Small molecule Aster inhibitors distinguish vesicular and non-vesicular sterol transport mechanisms. Proceedings of the National Academy of Sciences USA 12;118(2):e2024149118.  

Xiao Z, Passeri G, Northcote-Smith J, Singh K, Suntharalingam K. Osteosarcoma stem cell potent gallium(III)-polypyridyl complexes bearing diflunisal Chemistry Europe. DOI:10.1002/chem.202102207

Zhang Y, Brown K, Yucong Yu, Ibrahim Z, Zandian M, Xuan H, Ingersoll S, Lee T, Ebmeier C, Zhang J, Panne D, Shi X, Ren X, Kutateladze T Nuclear condensates of p300 formed though the structured catalytic core can act as a storage pool of though the structured catalytic core can act as a storage pool of p300 with reduced HAT activity Nature Communications 12 4618 


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Ayna A, Moody PCE. Activity of Fructose-1, 6 bisphosphatase from Campylobacter jejuni. Biochem Cell Biol. 98(4):518-524. 

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Chaplin AK, Blundell TL. Structural biology of multicomponent assemblies in DNA double-strand-break repair through non-homologous end joining. Curr Opin Struct Biol. 61:9-16.

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Eskandari A, Flamme M, Xiao Z, Suntharalingam K. The bulk osteosarcoma and osteosarcoma stem cell activity of a necroptosis-inducing nickel(II)-phenanthroline complex. Chembiochem. DOI: 10.1002/cbic.202000231. PMID: 32415808

Eskandari A, Kundu A, Johnson A, Karmakar S, Ghosh S, Suntharalingam K. A tri-metallic palladium complex with breast cancer stem cell potency Dalton Transactions, 49, 4211-4215 

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Howard MC, Nauser CL, Farrar CA, Wallis R, Sacks SH. l-Fucose prevention of renal ischaemia/reperfusion injury in Mice. FASEB J. 34(1):822-834.

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Kwon H, Basran J, Devos JM, Suardiaz R, van der Kamp MW, Mulholland AJ, Schrader TE, Ostermann  A, Blakeley MP, Moody PCE, Raven EL. Visualizing the protons in a metalloenzyme electron proton transfer pathway. Proc. Natl. Acad Sci. (USA) 117(12):6484-6490.

Kwon H, Schrader TE, Ostermann  A, Blakeley MP, Raven EL, Moody PCE. Heme peroxidase—Trapping intermediates by cryo neutron crystallography Methods in Enzymology Vol 634 (Ed. P C E Moody)

Lancey C, Tehseen M, Raducanu V-S, Rashid F, Merino N, Ragan TJ, Savva CG, Zaher  MS, Shirbini A, Blanco FJ, Hamdan SM, De Biasio A. Structure of the processive human Pol δ holoenzyme. Nature Communications. 11 (1), 1109.

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Liyanage S, Ramasamy P, Elhaddad O, Darcy K, Hudson A, Keller J. Assessing visible aerosol generation during vitrectomy in the era of Covid-19. Nature Eye DOI: 10.1038/s41433-020-1052-4

Meijer FA, Doveston RG, de Vries RMJM, Vos GM, Vos AAA, Leysen S, Scheepstra M, Ottmann C, Milroy LG, Brunsveld L. Ligand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor γt (RORγt) Inverse Agonists. J Med Chem. 63(1):241-259.

Mercurio D, Oggioni M, Fumagalli S, Lynch NJ, Roscher S, Minuta D, Perego C, Ippati S, Wallis R, Schwaeble WJ, De Simoni MG. Targeted deletions of complement lectin pathway genes improve outcome in traumatic brain injury, with MASP-2 playing a major role. Acta Neuropathol Commun. 8(1):174.

Millard CJ, Fairall L, Ragan TJ, Savva CG and Schwabe JWR. The topology of chromatin-binding domains in the NuRD deacetylase complex. Nucleic Acids Research gkaa1121, DOI:10.1093/nar/gkaa1121

Modenutti CP, Capurro JI, Ibba R, Alonzi DS, Song MN, Vasiljević S, Abhinav Kumar, Anu V. Chandran, Gabor Tax, Lucia Marti, Johan C. Hill, Lia A, Hensen M, Waksman T, Rushton J, Rubichi S, Santino A, Martí MA, Zitzmann N, Roversi P. Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose:glycoprotein glucosyltransferase, Structure

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Moran C, Seger C, Taylor K, Oddy S, Burling K, Rajanayagam O, Fairall L, McGowan A, Lyons G, Halsall D, Gurnell M, Schwabe J, Chatterjee K, Strey C. Hyperthyroxinemia and Hypercortisolemia due to Familial Dysalbuminemia. Thyroid. 2020 Aug 25. DOI: 10.1089/thy.2020.0315. Epub ahead of print. PMID: 32669045.

Muir KW, Li Y, Weis F, Panne D. The structure of the cohesin ATPase elucidates the mechanism of SMC-kleisin ring opening. Nat Struct Mol Biol. 27, 233-239

Munir A, Vedithi SC, Chaplin AK, Blundell TL. Genomics, Computational Biology and Drug Discovery for Mycobacterial Infections: Fighting the Emergence of Resistance. Front Genet 11:965.

Mureddu LG, Ragan TJ, Brooksbank EJ, Vuister GW. CcpNmr AnalysisScreen, a new software programme with dedicated automated analysis tools for fragment-based drug discovery by NMR. J Biomol NMR. 2020 Jul 7. DOI: 10.1007/s10858-020-00321-1

Polycarpou A, Howard M, Farrar CA, Greenlaw R, Fanelli G, Wallis R, Klavinskis LS, Sacks S. Rationale for targeting complement in COVID-19. EMBO Mol Med. 12(8):e12642.

Reinbold R, John T, Spingardi P, Kawamura A, Schofield CJ, Hopkinson RJ. Metampicillin is a cyclic aminal produced by reaction of ampicillin with formaldehyde. Science Reports 10, 17955.

Robin P, Singh K, Suntharalingam K. Gallium(iii)-polypyridyl complexes as anti-osteosarcoma stem cell agents. Chem Commun (Camb). 56(10):1509-1512.

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Smalley JP, Adams GE, Millard CJ, Song Y, Norris JKS, Schwabe JWR, Cowley SM, Hodgkinson JT. PROTAC-mediated degradation of Clas I deacetylase enzymes in corepressor complexes. Chem Comm. 56, 4476-4479 

Song Y, Andersen L, Fairall L, Robertson N, Wu M, Ragan TJ, Savva GC, Morone N, Kunze MBA, Jamieson A, Cole PA, Hansen DF, Schwabe JWR Mechanism of crosstalk between the LSD1 demethylase and HDAC1 deacetylase in the CoREST complex Cell Reports 30, (8) 2699-2711

Tian M, Abdelrahman A, Baqi Y, FuentesE, Azazna D, Spanier C, Densborn S, Hinz S, Schmid R, Müller CE. Discovery and Structure Relationships of Salicylanilide Derivatives as Potent, Non-acidic P2X1 Receptor Antagonists. J Med Chem 63(11):6164‐6178. 

Turnbull, R.E., Fairall, L., Saleh, A. Kelsall E, Morris KL, Ragan TJ, Savva CG, Chandru A, Millard CJ, Makarova OV, Smith CJ, Roseman AM, Fry AM, Cowley SM, Schwabe JWR.  The MiDAC histone deacetylase complex is essential for embryonic development and has a unique multivalent structure. Nat Commun 11, 3252. DOI:10.1038/s41467-020-17078-8

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Williams GM, Paschalis V, Ortega J, Muskett FW, Hodgkinson JT, Li GM, Schwabe JWR, Lahue RS. HDAC3 deacetylates the DNA mismatch repair factor MutSβ to stimulate triplet repeat expansions. Proc Natl Acad Sci (U S A).117(38): 23597–23605.

Xiao Z, Johnson A, Singh K, Suntharalingam K. The discrete breast cancer stem cell mammosphere activity of Group 10-bis(azadiphosphine) metal complexes. Angew Chem Int Ed Engl. DOI: 10.1002/anie.202014242.


Ahmad OS, Bedwell TS, Esen C, Garcia-Cruz A, Piletsky SA. Molecularly Imprinted Polymers in Electrochemical and Optical Sensors. Trends in Biotechnology 37(3):294-309.

Alqaseer K, Turapov O, Barthe P, Jagatia H, De Visch A, Roumestand C, Wegrzyn  M, Bartek IL, Voskuil MI, O'Hare  HM, Ajuh P, Bottrill AR, Witney AA, Cohen-Gonsaud M, Waddell SJ, Mukamolova GV. Protein kinase B controls Mycobacterium tuberculosis growth via phosphorylation of the transcriptional regulator Lsr2 at threonine 112. Mol Microbiol. 112(6):1847‐1862. 

Apfel UP, Suntharalingam K. Bioinspired reactivity and coordination chemistry. Dalton Transactions 48(18):5859-5860

Ash PA, Kendall-Price SET, Vincent KA. Unifying Activity, Structure, and Spectroscopy of [NiFe] Hydrogenases: Combining Techniques To Clarify Mechanistic Understanding Acc Chem Res 52(11):3120-3131.  

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Bin Dayel A, Evans RJ, Schmid R. Mapping the site of action of the human P2X7 receptor antagonists AZ11645373, brilliant blue G, KN-62, calmidazolium and ZINC58368839 to the inter-subunit allosteric pocket. Molecular Pharmacology 96(3):355-363. 

Blevins DJ, Hanley R, Bolduc T, Powell DA, Gignac M, Walker K, Carr MD, Hof F, Wulff JE. In Vitro Assessment of Putative PD-1/PD-L1 Inhibitors: Suggestions of an Alternative Mode of Action. ACS Med Chem Lett. 10(8):1187-1192.

Dimeloe S, Rice LV, Chen H, Cheadle C, Raynes J, Pfeffer P, Lavender P, Richards DF, Nyon MP, McDonnell JM, Kemper C, Gooptu B, Hawrylowicz CM. Vitamin D (1,25(OH)2D3) induces α-1-antitrypsin synthesis by CD4+ T cells, which is required for 1,25(OH)2D3-driven IL-10. Journal of Steroid Biochemistry and Molecular Biology 189: 1-9

Elbelizi A, Canfarotta,  Czulak Piletska E, Esen C, Czulak J, Cowen T, Piletska E, Piletsky S. Highly efficient abiotic assay formats for methyl parathion – MINA as alternative to ELISA. Analytical Chemistry 91, 958-964

Eskandari A, Suntharalingam K. A reactive oxygen species-generating, cancer stem cell-potent manganese(ii) complex and its encapsulation into polymeric nanoparticles. Chem Sci. 10(33):7792-7800

Eskandari A, Kundu A, Ghosh S, Suntharalingam K. A Triangular Platinum(II) Multinuclear Complex with Cytotoxicity Towards Breast Cancer Stem Cells. Angew Chem Int Ed Engl. 58(35):12059-12064

Farzand R, Rajakumar K, Zamudio R, Oggioni MR, Barer MR, O'Hare HM. ICEKp2: description of an integrative and conjugative element in Klebsiella pneumoniae, co-occurring and interacting with ICEKp1. Sci Rep. 9(1):13892. 

Fernandez MO, Thomas RJ, Garton NJ, Hudson A, Haddrell A, Reid JP. Assessing the airborne survival of bacteria in populations of aerosol droplets with a novel technology. Journal of the Royal Society Interface 16(150): 20180779

Florea A, Cowen T, Piletsky S, De Wael K. Electrochemical sensing of cocaine in real samples based on electrodeposited biomimetic affinity ligands. Analyst.

Freeman SL, Kwon H, Portolano N, Parkin G, Venkatraman Girija U, Basran J, Fielding AJ, Fairall L, Svistunenko DA, Moody PCE, Schwabe JWR, Kyriacou CP, Raven EL. Heme binding to human CLOCK affects interactions with the E-box. Proc Natl Acad Sci U S A.  116(40):19911-19916

Fryatt AG, Dayl S, Stavrou A, Schmid R, Evans RJ. Organization of ATP-gated P2X1 receptor intracellular termini in apo and desensitized states. Journal of General Physiology 151(2):146-155

Garcia Lopez J, Piletska EV, Whitcombe MJ, Czulak J, Piletsky SA. Application of molecularly imprinted polymer nanoparticles for degradation of the bacterial autoinducer N-hexanoyl homoserine lactone. ChemComm 55, 2664 – 2667

González-Magaña A, de Opakua AI, Merino N, Monteiro H, Diercks T, Murciano-Calles J, Luque I, Bernadó P, Cordeiro TN, De Biasio A, Blanco FJ. Double Monoubiquitination Modifies the Molecular Recognition Properties of p15PAF Promoting Binding to the Reader Module of Dnmt1. ACS Chemical Biology 14(10): 2315-2326

González-Magaña A, Ibáñez de Opakua A, Romano-Moreno M, Murciano-Calles J, Merino N, Luque I, Rojas AL, Onesti S, Blanco FJ, De Biasio A. The p12 subunit of human polymerase δ _uses an atypical PIP-box for molecular recognition of proliferating cell nuclear antigen (PCNA). Journal of Biological Chemistry 294(11):3947-3956

Goos JAC, Vogel WK, Mlcochova H, Millard CJ, Esfandiari E, Selman WH, Calpena E, Koelling N, Carpenter EL, Swagemakers SMA, van der Spek PJ, Filtz TM, Schwabe JWR, Iwaniec UT, Mathijssen IMJ, Leid M, Twigg SRF. A de novo substitution in BCL11B leads to loss of interaction with transcriptional complexes and craniosynostosis. Human Molecular Genetics  28, 15, 2501–2513

Grabarczyk DB, Ash PA, Myers WK, Dodd EL, Vincent KA. Dioxygen controls the nitrosylation reactions of a protein-bound [4Fe4S] cluster. Dalton Transactions 48(37):13960-13970

Iswahyudi, Mukamolova GV, Straatman-Iwanowska AA, Allcock N, Ajuh P, Turapov O, O’Hare HM. Mycobacterial phosphatase PstP regulates global serine threonine phosphorylation and cell division. Scientific Reports 9(1):8337

Jenkins CH, Wallis R, Allcock N, Barnes KB, Richards MI, Auty JM, Galyov EE, Harding SV, Mukamolova GV. The lytic transglycosylase, LtgG, controls cell morphology and virulence in Burkholderia pseudomallei. Scientific Reports 9(1):11060

Leopold K, Stirpe A, Schalch T. Transcriptional gene silencing requires dedicated interaction between HP1 protein Chp2 and chromatin remodeler Mit1. Genes & Development 33(9-10):565-577

Leung GC, Fung SS, Dovey NRB, Raven EL, Hudson AJ. Precise determination of heme binding affinity in proteins Analytical Biochemistry 572:45-51

Mahajan R, Rouhi M, Shinde S, Bedwell T, Incel A, Mavliutova L, Piletsky S, Nicholls I, Sellergren BE. Highly efficient synthesis and assay of protein imprinted nanogels using magnetic templates. Angewandte Chemie International Edition 58, 727-730

Mahindra A, Millard CJ, Black I, Archibald LJ, Schwabe JWR, Jamieson AG. Synthesis of HDAC Substrate Peptidomimetic Inhibitors Using Fmoc Amino Acids Incorporating Zinc-Binding Groups. Organic Letters 21(9):3178-3182

Moczko E, Guerreiro A, Cáceres C, Piletska E, Sellergren B, Piletsky SA. Epitope approach in molecular imprinting of antibodies. Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences 25; 1124:1-6

Modenutti CP, Capurro JIB, Ibba R, Vasiljević S, Hensen M, Alonzi DS, Chandran AV, Hill JC, Rushton J , Kumar A, Rubichi S, Lia A, Tax G , Lucia Marti6 , Santino A, Martí MA, Zitzmann N, and Roversi P. Clamping, bending, and twisting inter-domain motions in the misfold-recognising portion of UDPglucose:glycoprotein glucosyl-transferase. BioRxivDOI:10.1101/2019.12.25.888438.

Moraru M, Schalch T. Chromatin fiber structural motifs as regulatory hubs of genome function? Essays Biochemistry 63(1):123-132

Munawar H, Safaryan AHM, De Girolamo A, Garcia-Cruz A, Marote P, Karim K, Lippolis V, Pascale M, Piletsky SA. Determination of Fumonisin B1 in maize using molecularly imprinted polymer nanoparticles-based assay. Food Chemistry 298:125044

Munnur D, Somers J, Skalka G, Weston R, Jukes-Jones R, Bhogadia M, Dominguez C, Cain K, Ahel I, Malewicz M. NR4A Nuclear Receptors Target Poly-ADP-Ribosylated DNA-PKcs Protein to Promote DNA Repair. Cell Reports 26(8): 2028-2036

Mureddu L, Vuister GW. Simple high-resolution NMR spectroscopy as a tool in molecular biology. FEBS Journal 286(11): 2035-2042

Negash KH, Norris JKS, Hodgkinson JT. Siderophore-Antibiotic Conjugate Design: New Drugs for Bad Bugs? Molecules 24(18)

Pfeffer I, Brewitz L, Krojer T, Jensen SA, Kochan GT, Kershaw NJ, Hewitson KS, McNeill LA, Kramer H, Münzel M, Hopkinson RJ, Oppermann U, Handford PA, McDonough MA, Schofield CJ. Aspartate/asparagine-β-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern. Nature Communications 10(1):4910

Reinbold R, John T, Spingardi P, Kawamura A, Thompson AL, Schofield CJ , Hopkinson RJ Formaldehyde quantification using ampicillin is not selective Scientific Reports 9, 18289

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Savva CG. A Beginner’s Guide to Cryogenic Electron Microscopy. The Biochemist 41:2 46- 52

Sayour H, Kassem S, Canfarotta F, Czulak J, Mohamed M, Piletsky S. Biocompatibility and biodistribution of surface-modified yttrium oxide nanoparticles for potential theranostic applications. Environ Sci Pollut Res Int.

Schmid R, Evans RJ. ATP-Gated P2X Receptor Channels: Molecular Insights into Functional Roles. Annual Review of Physiology 81:43-62

Sergeyeva T, Yarynka D, Piletska E, Linnik R, Zaporozhets O, Brovko O, Piletsky S, El’skaya A. Development of a smartphone-based biomimetic sensor for aflatoxin B1 detection using molecularly imprinted polymer membranes. Talanta. 201:204-210.

Shin J, Eskandari A, Suntharalingam K. Modulating the Chemical and Biological Properties of Cancer Stem Cell-Potent Copper(II)-Nonsteroidal Anti-Inflammatory Drug Complexes. Molecules. 24(9)

Stylianou P, Clark K, Gooptu B, Smallwood D, Brightling CE, Amrani Y, Roach KM, Bradding P. Tensin1 expression and function in chronic obstructive pulmonary disease. Scientific Reports 9(1):18942.

Stavrou A, Dayl S, Schmid R. Homology Modeling of P2X Receptors. Methods Molecular Biology 2041:65-75.

Stavrou A, Evans RJ, Schmid R. Identification of a distinct desensitisation gate in the ATP-gated P2X2 receptor. Biochem Biophys Res Commun. 523 (1), 190-195

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Warfield KM, Alonzi DS, Hill JC, Caputo AT, Roversi P, Kiappes JL, Sheets N, Ducjars M, Dwek RA, Biggins J, Barnard D, Shresta S, Treston AM, Zitzman N. Targeting Endoplasmic Reticulum alpha-glucosidae I with a Single Dose Iminosugar Treatment Protects against Lethal Influenza and Dengue Fever Infections J Med Chem 

Wheeler S, Schmid R, Sillence DJ. Lipid-Protein Interactions in Niemann-Pick Type C Disease: Insights from Molecular Modeling. International Journal of Molecular Sciences 20(3)

Yoshimi Y, Oino D, Ohira H, Muguruma H, Moczko E, Piletsky SA. Size of Heparin-Imprinted Nanoparticles Reflects the Matched Interactions with the Target Molecule. Sensors (Basel) 19(10).

Zheng P, Eskandari A, Lu C, Laws K, Aldous L, Suntharalingam K. Biophysical analysis of cancer stem cell-potent copper(ii) coordination complexes Dalton Transactions 48(18):5892-5896.


Abboud MI, McAllister TE, Leung IKH, Chowdhury R, Jorgensen C, Domene C, Mecinovič _J, Lippl K, Hancock RL, Hopkinson RJ, Kawamura A, Claridge TDW, Schofield CJ. 2-Oxoglutarate regulates binding of hydroxylated hypoxia-inducible factor to prolyl hydroxylase domain 2. ChemComm (Camb). ;54(25):3130-3133

Abe DO, Eskandari A, Suntharalingam K. Diflunisal-adjoined cobalt(iii)-polypyridyl complexes as anti-cancer stem cell agents. Dalton Transactions 47(39):13761-13765.

Agostini M, Schoenmakers E, Beig J, Fairall L, Szatmari I, Rajanayagam O, Muskett FW, Adams C, Marais AD, O’Rahilly S, Semple RK, Nagy L, Majithia AR, Schwabe JWR, Blom DJ, Murphy R, Chatterjee K, Savage DB. A Pharmacogenetic Approach to the Treatment of Patients With PPARG Mutations. Diabetes 67(6):1086-1092

Allsopp RC, Dayl S, Bin Dayel A, Schmid R, Evans RJ. Mapping the Allosteric Action of Antagonists A740003 and A438079 Reveals a Role for the Left Flipper in Ligand Sensitivity at P2X7 Receptors. Mol Pharmacol 93(5): 553-562

Almitairi OM, Venkatraman Girija U, Furze CM, Simpson-Gray X, Badakshi F, Marshall JE, Schwaeble WJ, Mitchell DA, Moody PCE, Wallis R. Structure of the C1r–C1s interaction of the C1 complex of complement activation. Proceedings of the National Academy of Sciences of the United States of America 115 (4) 768-773

Ashkar R, Bilheux HZ, Bordallo H, Briber R, Callaway DJE, Cheng X, Chu XQ, Curtis JE, Dadmun M, Fenimore P, Fushman D, Gabel F, Gupta K, Herberle F, Heinrich F, Hong L, Katsaras J, Kelman Z, Kharlampieva E, Kneller GR, Kovalevsky A, Krueger S, Langan P, Lieberman R, Liu Y, Losche M, Lyman E, Mao Y, Marino J, Mattos C, Meilleur F, Moody PCE, Nickels JD, O’Dell WB, O’Neill H, Perez-Salas U, Peters J, Petridis L, Sokolov AP, Stanley C, Wagner N, Weinrich M, Weiss K, Wymore T, Zhang Y, Smith JC. . Neutron scattering in the biological sciences: progress and prospects. Acta Crystallographica Section D: Structural Biology 74, 1129-1168

Bate N, Caves RE, Skinner SP, Goult BT, Basran J, Mitcheson JS, Vuister GW. A Novel Mechanism for Calmodulin-Dependent Inactivation of Transient Receptor Potential Vanilloid 6. Biochemistry 57(18):2611-2622

Bhattacharyya N, Nkumama IN, Newland-Smith Z, Lin LY, Yin W, Cullen RE, Griffiths JS, Jarvis AR, Price MJ, Chong PY, Wallis R, O’Hare HM An Aspartate-Specific Solute-Binding Protein Regulates Protein Kinase G Activity to Control Glutamate Metabolism in Mycobacteria. MBio 9:e00931-18

Bjerregaard-Andersen K, Johannesen H, Abdel-Rahman N, Heggelund JE, Hoås HM, Abraha F, Bousquet PA, Høydahl LS, Burschowsky D, Rojas G, Oscarson S, Løset GÅ, Krengel U. Crystal structure of an L chain optimised 14F7 anti-ganglioside Fv suggests a unique tumour-specificity through an unusual H-chain CDR3 architecture. Scientific Reports 8(1): 10836

Bokhovchuk FM, Bate N, Kovalevskaya NV, Goult BT, Spronk CAEM, Vuister GW. The Structural Basis of Calcium-Dependent Inactivation of the Transient Receptor Potential Vanilloid 5 Channel. Biochemistry. 57(18):2623-2635

Bhushan B, Erdmann A, Zhang Y, Belle R, Johannson C, Oppermann U, Hopkinson RJ, Schofield CJ, Kawamura A, Investigations on Small Molecule Inhibitors Targeting the Histone H3K4 tri-methyllysine Binding PHD-finger of JmjC Histone Demethylases. Bioorganic and Medicinal Chemistry, 26, 2984-2991

Campeotto I, Lebedev A, Schreurs AMM, Kroon-Batenburg LMJ, Lowe E, Phillips SEV, Murshudov GN, Pearson AR. Pathological macromolecular crystallographic data affected by twinning, partial-disorder and exhibiting multiple lattices for testing of data processing and refinement tools. Scientific Reports 8(1):14876

Canfarotta F, Lezina L, Guerreiro A, Czulak J, Petukhov A, Daks A, Smolinska-Kempisty K, Poma A, Piletsky S, Barlev N. Specific drug delivery to cancer cells with double-imprinted nanoparticles against EGFR membrane receptor. Nano Letters, 18, 4641-4646

Canfarotta F, Czulak J, Guerreiro A., Garcia Cruz A., Piletsky S, Bergdahl GE, Hedström M, Mattiason B. A novel capacitive sensor based on molecularly imprinted nanoparticles as recognition elements. Biosensors and Bioelectronics 120, 108-114

Caputo AT, Alonzi DS, Kiappes JL, Struwe WB, Cross A, Basu S, Darlot B, Roversi P, Zitzmann N. Structural Insights into the Broad-Spectrum Antiviral Target Endoplasmic Reticulum Alpha-Glucosidase II. Advances in Experimental Medicine and Biology 1062:265-276

Chandru A, Bate N, Vuister GW, Cowley SM. Sin3A recruits Tet1 to the PAH1 domain via a highly conserved Sin3-Interaction Domain. Scientific Reports 8(1):14689

De Biasio A, Ibáñez de Opakua A, Bostock MJ, Nietlispach D, Diercks T, Blanco FJ. A generalized approach for NMR studies of lipid-protein interactions based on sparse fluorination of acyl chains. ChemComm 54(53):7306-7309

De March M, Barrera-Vilarmau S, Crespan E, Mentegari E, Merino N, Gonzalez-Magaña A, Romano-Moreno M, Maga G, Crehuet R, Onesti S, Blanco FJ, De Biasio A. p15PAF binding to PCNA modulates the DNA sliding surface. Nucleic Acids Research 46(18):9816-9828.

Evans RM, Ash PA, Beaton SE, Brooke EJ, Vincent KA, Carr SB, Armstrong FA. Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. Journal of the American Chemical Society 140(32):10208-10220

Florea A, Cowen T, Piletsky S, De Wael K. Polymer platforms for selective detection of cocaine in street samples adulterated with levamisole. Talanta, 186, 362-367

Forsyth VT, Moody PCE Neutron scattering for the study of biological systems – major opportunities within a rapidly changing landscape. Acta Crystallographica Section D: Structural Biology 74, 1126-1128

Geddis SM, Coroama T, Forrest S, Hodgkinson JT, Welch M, Spring DR. Synthesis and biological evaluation of 1,2-disubsubstituted 4-quinolone analogues of Pseudonocardiasp. natural products. Beilstein Journal of Organic Chemistry 14:2680-2688

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