Publications

2020

Austin M, Burschowsky D, Chan DTY, Jenkinson L, Haynes S, Diamandakis A, Seewooruthun C, Addyman A, Fiedler S, Ryman S, Whitehouse J, Slater LH, Hadjinicolaou AV, Gileadi U, Gowans E, Shibata Y, Barnard M, Kaserer T, Sharma P, Luheshi NM, Wilkinson RW, Vaughan TJ, Holt SV, Cerundolo V, Carr MD, Groves MAT. Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action. MAbs. 12(1):1801230. 

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

Chan DTY, Jenkinson L, Haynesa SW, Austin M, Diamandakis A, Burschowsky D, Seewooruthun C, Addyman A, Fiedler S, Ryman S, Whitehouse J, Slater LH, Gowans E, Shibata Y, Barnard M, Wilkinson RW,  Vaughan TJ, Holt SV, Cerundolo V, Carr MD, Groves MAT. Extensive sequence and structural evolution of Arginase2 inhibitory antibodies enabled by an unbiased approach to affinity maturation Proc. Natl. Acad Sci. (USA) 117(29):16949-16960

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 

Faraj BHE, Collard L, Cliff A , Blount LA, Lonnen R, Wallis R, Andrew PW, Hudson AJ. Formation of pre-pore complexes of pneumolysin is accompanied by a decrease in short-range order of lipid molecules throughout vesicle bilayers. Scientific Reports 10, 4585

Feld C, Johnson, A, Xiao Z, Suntharalingam K  Breast cancer stem cell potency of nickel(II)-polypyridyl complexes containing non-steroidal anti-inflammatory drugs Chemistry Europe Journal  10

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. 2020;1-14. doi:10.1080/15592294.2020.1786305

Kuusk A, Neves JF, Bravo-Rodriguez K, Gunnarsson A, Ruiz-Blanco YB, Ehrmann M, Chen H, Landrieu I, Sanchez-Garcia E, Boyd H, Ottmann C, Doveston RG. Adoption of a Turn Conformation Drives the Binding Affinity of p53 C-Terminal Domain Peptides to 14-3-3σ. ACS Chem Biol. 15(1):262-271.

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.

Lefranc J, Schulze VK, Hillig RC, Briem H, Prinz F, Mengel A, Heinrich T, Balint J, Rengachari S, Irlbacher H, Stöckigt D, Bömer U, Bader B, Gradl SN, Nising CF, von Nussbaum F, Mumberg D, Panne D, Wengner AM. Discovery of BAY-985, a Highly Selective TBK1/IKKε Inhibitor. J Med Chem. 63 (2), 601-612

Li Y, Haarhuis JHI, Sedeño Cacciatore A, Oldenkamp R, van Ruiten MS, Willems L, Hans Teunissen H, Muir KW, Elzo de Wit E, Rowland BD, Panne D. The structural basis for cohesin-CTCF anchored loops Nature. 472–476.

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.

Moody PCE (editor)  Neutron Crystallography in Structural Biology Methods in Enzymology volume 634

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

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. 

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

Schairer R, Hall G, Zhang M, Cowan R, Baravalle R, Muskett FW, Coombs PJ, Mpamhanga C, Hale LR, Saxty B, Iwaszkiewicz J, Décaillet C, Perroud M, Carr MD, Thome M. Allosteric activation of MALT1 by its ubiquitin-binding Ig3 domain. Proc Natl Acad Sci U S A. 117(6):3093–3102

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 . https://doi.org/10.1038/s41467-020-17078-8

De Vries RMJM, Doveston RG, Meijer FA, Brunsveld L. Elucidation of an Allosteric Mode of Action for a Thienapyrazole Ror-gamma-T Inverse Agonist. Chem Med. Chem. 63(8):4205-4214

2019

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.  

Berman HM, Adams PD, Bonvin AA, Burley SK, Carragher B, Chiu W, DiMaio F, Ferrin TE, Gabanyi MJ, Goddard TD, Griffin PR, Haas J, Hanke CA, Hoch JC, Hummer G, Kurisu G, Lawson CL, Leitner A, Markley JL, Meiler J, Montelione GT, Phillips GN Jr, Prisner T, Rappsilber J, Schriemer DC, Schwede T, Seidel CAM, Strutzenberg TS, Svergun DI, Tajkhorshid E, Trewhella J, Vallat B, Velankar S, Vuister GW, Webb B, Westbrook JD, White KL, Sali A. Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures. Structure. 27(12):1745-1759.

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

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. BioRxiv doi: http://dx.doi.org/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

Savva CG, Clark AR, Naylor CE, Popoff MR, Moss DS, Basak AK, Titball RW, Bokori-Brown M. The pore structure of Clostridium perfringens epsilon toxin Nature Communications 10(1):2641

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

Tax G, Lia A, Santino A, Roversi P. Modulation of ERQC and ERAD: A Broad-Spectrum Spanner in the Works of Cancer Cells? J Oncol. :8384913.

Wagner T, André-Leroux G, Hindie V, Barilone N, Lisa MN, Hoos S, Raynal B, Vulliez-Le Normand B, O’Hare HM, Bellinzoni M, Alzari PM. Structural insights into the functional versatility of an FHA domain protein in mycobacterial signaling. Science Signaling 12(580).

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.

2018

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

Giacopuzzi E, Laffranchi M, Berardelli R, Ravasio V, Ferrarotti I, Gooptu B, Borsani G, Fra A. Real-world clinical applicability of pathogenicity predictors assessed on SERPINA1 mutations in alpha-1-antitrypsin deficiency. Human Mutation 39(9):1203-1213

Hancock RL, Abboud MI, Smart TJ, Flashman E, Kawamura A, Schofield CJ, Hopkinson RJ. Lysine-241 Has a Role in Coupling 2OG Turnover with Substrate Oxidation During KDM4-Catalysed Histone Demethylation. Chembiochem 19(9):917-921

Hopkinson RJ, Schofield CJ. Deciphering Functions of Intracellular Formaldehyde: Linking Cancer and Aldehyde Metabolism. Biochemistry. 57(6):904-906

Hopkinson RJ, Langley GW, Belle R, Walport LJ, Dunne K, Salah E, Kawamura A, Claridge TDW, Schofield CJ. Human histone demethylase KDM6B can catalyse sequential oxidations. Chemical Communications, 54, 7975-7978

Huo H, Fryatt AG, Farmer LK, Schmid R, Evans RJ. Mapping the binding site of the P2X receptor antagonist PPADS reveals the importance of orthosteric site charge and the cysteine-rich head region. Journal of Biological Chemistry H293(33):12820-12831

Islam MS, Leissing TM, Chowdhury R, Hopkinson RJ, Schofield CJ. 2-Oxoglutarate-Dependent Oxygenases. Annual Review of Biochemistry 87:585-620

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

Jobbins AM, Reichenbach LF, Lucas CM, Hudson AJ, Burley GA, Eperon IC. The mechanisms of a mammalian splicing enhancer. Nucleic Acids Research 46, 2145-2158

Jørgensen MM, Ekundayo B, Zaratiegui M, Skriver K, Thon G, Schalch T. Structure of the replication regulator Sap1 reveals functionally important interfaces. Scientific Reports 8(1):10930

Kalin JH, Wu M, Gomez AV, Song Y, Das J, Hayward D, Adejola N, Wu M, Panova I, Chung HJ, Kim E, Roberts HJ, Roberts JM, Prusevich P, Jeliazkov JR, Roy Burman SS, Fairall L, Milano C, Eroglu A, Proby CM, Dinkova-Kostova AT, Hancock WW, Gray JJ, Bradner JE, Valente S, Mai A, Anders NM, Rudek MA, Hu Y, Ryu B, Schwabe JWR, Mattevi A, Alani RM, Cole PA. Targeting the CoREST complex with dual histone deacetylase and demethylase inhibitors. Nature Communications 9(1):53

Kapetenaki SM, Burton MJ, Basran J, Uragami C, Moody PCE, Mitcheson JS, Schmid R, Davies NW, Dorlet P, Vos M, Storey NM, Raven EL A mechanism for CO regulation of ion channels. Nature Communications 9: 907

Kelly RDW, Chandru A, Watson PJ, Song Y, Blades M, Robertson NS, Jamieson AG, Schwabe JWR, Cowley SM. Histone deacetylase (HDAC) 1 and 2 complexes regulate both histone acetylation and crotonylation in vivo. Scientific Reports 8(1):14690

Kryshtafovych A, Albrecht R, Baslé A, Bule P, Caputo AT, Carvalho AL, Chao KL, Diskin R, Fidelis K, Fontes CMGA, Fredslund F, Gilbert HJ, Goulding CW, Hartmann MD, Hayes CS, Herzberg O, Hill JC, Joachimiak A, Kohring GW, Koning RI, Lo Leggio L, Mangiagalli M, Michalska K, Moult J, Najmudin S, Nardini M, Nardone V, Ndeh D, Nguyen TH, Pintacuda G, Postel S, van Raaij MJ, Roversi P, Shimon A, Singh AK, Sundberg EJ, Tars K, Zitzmann N, Schwede T. Target highlights from the first post-PSI CASP experiment. Proteins. 86 Suppl 1:27-50

Kwon H, Langan PS, Coates L, Raven EL, Moody PCE. The rise of neutron cryo-crystallography. Acta Crystallographica Section D: Structural Biology 74(Pt 8):792-799

Laws K, Suntharalingam K. The next generation of anticancer metallopharmaceuticals: cancer stem cell-active inorganics Chembiochem. 19 (21): 2246-2253

Laws K, Eskandari A, Lu C, Suntharalingam K. Highly Charged, Cytotoxic, Cyclometalated Iridium(III) Complexes as Cancer Stem Cell Mitochondriotropics. Chemistry. 24(57):15205-15210

Laws K, Bineva-Todd G, Eskandari A, Lu C, O’Reilly N, Suntharalingam K. A Copper(II) Phenanthroline Metallopeptide That Targets and Disrupts Mitochondrial Function in Breast Cancer Stem Cells. Angewandte Chemie International Edition 57(1):287-291

Lia A, Gallo A, Marti L, Roversi P, Santino A.EFR-Mediated Innate Immune Response in Arabidopsis thaliana is a Useful Tool for Identification of Novel ERQC Modulators Genes 10 (1), 15  

Lin LY, Evans SE, Fairall L, Schwabe JWR, Wagner SD, Muskett FW. Backbone resonance assignment of the BCL6-BTB/POZ domain. Biomolecular NMR Assignments 12(1):47-50

Marti L, Lia A, Reca IB, Roversi P, Santino A, Zitzmann N. In Planta Preliminary Screening of ER Glycoprotein Folding Quality Control (ERQC) Modulators. The International Journal of Molecular Sciences 19(7)

McAllister TE, Yeh T-L, Abboud MI, Leung IKH, Hookway ES, King ONF, Bhushan B, Williams ST, Hopkinson RJ, M. Münzel M, Loik ND, Chowdhury R, Oppermann U, Claridge TDW, Goto Y, Suga H, Schofield CJ, Kawamura A. Non-competitive cyclic peptides for targeting enzyme-substrate complexes. Chemical Science, 9(20): 4569-4578

Moody PCE, Raven EL The Nature and Reactivity of Ferryl Heme in Compounds I and II Accounts of Chemical Research 51(2):427-435

Ortega E, Rengachari S, Ibrahim Z, Hoghoughi N, Gaucher J, Holehouse AS, Khochbin S, Panne D. Transcription factor dimerization activates the p300 acetyltransferase. Nature. 562(7728):538-544

Patel S, Barkell AM, Gupta D, Strong SL, Bruton S, Muskett FW, Addis PW, Renshaw PS, Slocombe PM, Doyle C, Clargo A, Taylor RJ, Prosser CE, Henry AJ, Robinson MK, Waters LC, Holdsworth G, Carr MD. Structural and functional analysis of Dickkopf 4 (Dkk4): New insights into Dkk evolution and regulation of Wnt signaling by Dkk and Kremen proteins. Journal of Biological Chemistry 293(31):12149-12166

Piletsky S, Canfarotta F, Poma A, Bossi AM, Piletsky S. Molecularly Imprinted Polymers for Cell Recognition. Trends Biotechnol. pii: S0167-7799(19)30235-5

Perez-Guaita D, Marzec KM, Hudson AJ, Evans C, Chernenko T, Matthäus C, Miljkovic M, Diem, M, Heraud, P, Richards JS, Andrew D, Anderson DA, Doerig C, Garcia-Bustos J, McNaughton D, Wood BR, Parasites under the Spotlight: Applications of Vibrational Spectroscopy to Malaria Research. Chemical Reviews, 118, 5330-5358

Pluta P, Roversi P, Bernardo-Seisdedos G, Rojas AL, Cooper JB, Gu S, Pickersgill RW, Millet O. Structural basis of pyrrole polymerization in human porphobilinogen deaminase. Biochimica et Biophysica Acta 1862(9):1948-1955

Rundstadler TK, Eskandari A, Norman SM, Suntharalingam K. Polypyridyl Zinc(II)-Indomethacin Complexes with Potent Anti-Breast Cancer Stem Cell Activity. Molecules. 23(9)

San Millan A, Toll-Riera M, Qi Q, Betts A, Hopkinson RJ, McCullagh J, MacLean RC. Integrative analysis of fitness and metabolic effects of plasmids in Pseudomonas aeruginosa PAO1. ISME Journal (12):3014-3024

Sandhu J, Li S, Fairall L, Pfisterer SG, Gurnett JE, Xiao X, Weston TA, Vashi D, Ferrari A, Orozco JL, Hartman CL, Strugatsky D, Lee SD, He C, Hong C, Jiang H, Bentolila LA, Gatta AT, Levine TP, Ferng A, Lee R, Ford DA, Young SG, Ikonen E, Schwabe JWR, Tontonoz P. Aster Proteins Facilitate Nonvesicular Plasma Membrane to ER Cholesterol Transport in Mammalian Cells. Cell. 75(2):514-529.e20

Sauer PV, Gu Y, Liu WH, Mattiroli F, Panne D, Luger K, Churchill ME. Mechanistic insights into histone deposition and nucleosome assembly by the chromatin assembly factor-1. Nucleic Acids Research 46(19): 9907-9917

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

Schmid R, Evans RJ Integrating mutagenesis, biochemical and modelling approaches to understand P2X receptor properties Purinergic Signalling 14, S52-S52

Segeritz CP, Rashid ST, de Brito MC, Serra MP, Ordonez A, Morell CM, Kaserman JE, Madrigal P, Hannan NRF, Gatto L, Tan L, Wilson AA, Lilley K, Marciniak SJ, Gooptu B, Lomas DA, Vallier L. hiPSC hepatocyte model demonstrates the role of unfolded protein response and inflammatory networks in α1-antitrypsin deficiency. Journal of Hepatology 69(4):851-860

Shiota H, Barral S, Buchou T, Tan M, Couté Y, Charbonnier G, Reynoird N, Boussouar F, Gérard M, Zhu M, Bargier L, Puthier D, Chuffart F, Bourova-Flin E, Picaud S, Filippakopoulos P, Goudarzi A, Ibrahim Z, Panne D, Rousseaux S, Zhao Y, Khochbin S. Nut Directs p300-Dependent, Genome-Wide H4 Hyperacetylation in Male Germ Cells. Cell Reports 24(13):3477-3487

Shishodia S, Zhang D, El-Sagheer A, Brown T, Claridge TDW, Schofield CJ, Hopkinson RJ. NMR Analyses on N-Hydroxymethylated Nucleobases – Implications for Formaldehyde Toxicity and Nucleic Acid Demethylases. Organic and Biomolecular Chemistry, 16, 4021-4032

Sivalingam GN, Cryar A, Williams MA, Gooptu B, Thalassinos K Deconvolution of ion mobility mass spectrometry arrival time distributions using a genetic algorithm approach: Application to α1-antitrypsin peptide binding. International Journal of Mass Spectrometry 426:29-37

Stevers LM, Sijbesma E, Botta M, MacKintosh C, Obsil T, Landrieu I, Wilson AJ, Karawajczyk A, Eickhoff J, Davis J, Hann M, O’Mahony G, Perry M, Doveston RG, Brunsveld L, Ottmann C Small Molecule Modulators of 14-3-3 Protein-Protein Interactions Journal of Medicinal Chemistry 61(9): 3755-3778

Stöppler D, Macpherson A, Smith-Penzel S, Basse N, Lecomte F, Deboves H, Taylor RD, Norman T, Porter J, Waters LC, Westwood M, Cossins B, Cain K, White J, Griffin R, Prosser C, Kelm S, Sullivan AH, Fox D 3rd, Carr MD, Henry A, Taylor R, Meier BH, Oschkinat H, Lawson AD. Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR. PLoS Biology 16(5):e2006192

Tarapdar A, Norris JKS, Sampson O, Mukamolova G, Hodgkinson JT. The design and synthesis of an antibacterial phenothiazine-siderophore conjugate. Beilstein Journal of Organic Chemistry 14:2646-2650

Turapov O, Forti T, Kadhim B, Ghisotti D, Sassine J, Straatman-Iwanowska A, Bottrill A, Moynihan PJ, Wallis R, Barthe P, Cohen-Gonsaud M, Ajuh P, Vollmer W, Mukamolova GV Two faces of CwlM, an essential PknB substrate, in Mycobacterium tuberculosis. Cell Reports, 25(1):57-67

Turner DD, Lad L, Kwon H, Basran J, Carr KH, Moody PCE, Raven EL. The role of Ala134 in controlling substrate binding and reactivity in ascorbate peroxidase. Journal of Inorganic Biochemistry 180:230-234

Walport JL, Hopkinson RJ, Chowdhury R, Zhang Y, Bonnici J, Schiller R, Kawamura A, Schofield CJ Mechanistic and Structural Studies of KDM-Catalysed Demethylation of Histone 1 Isotype 4 at Lysine 26. FEBS Letters 592, 3264–3273

Weldon C, Dacanay JG, Gokhale V, Boddupally PVL, Behm-Ansmant I4 Burley GA, Branlant C, Hurley LH, Dominguez C, Eperon IC. Specific G-quadruplex ligands modulate the alternative splicing of Bcl-X. Nucleic Acids Research 46(2):886-896

Wilkins SE, Islam MS, Gannon JM, Markolovic S, Hopkinson RJ, Ge W, Schofield CJ, Chowdhury R. JMJD5 is a human arginyl C-3 hydroxylase. Nature Communications 9(1):1180

Wu M, Hayward D, Kalin JH, Song Y, Schwabe JWR, Cole PA. Lysine-14 acetylation of histone H3 in chromatin confers resistance to the deacetylase and demethylase activities of an epigenetic silencing complex. Elife. 7. pii: e37231

Yigaimu A, Muhammad T, Yang W, Muhammad I, Wubulikasimu I, Piletsky, SA. Magnetic Molecularly Imprinted Polymer Particles Based Micro-Solid Phase Extraction for the Determination of 4-Nitrophenol in Lake Water. Macromolecular Research. 27, 1089–1094 

Zhang T, Wei G, Millard CJ, Fischer R, Konietzny R, Kessler BM, Schwabe JWR, Brockdorff N. A variant NuRD complex containing PWWP2A/B excludes MBD2/3 to regulate transcription at active genes. Nature Communications 9(1):3798