Tom Blundell has been Sir William Dunn Professor of Biochemistry at the University of Cambridge since 1995, and from 1 October 2003 Chairman of the Council of Biological Sciences in Cambridge.

His research is focused on structural biology of cell regulation, structural bioinformatics and applications to drug discovery and medicine. After research and teaching positions in Molecular Biophysics in Oxford and Biochemistry in Sussex Universities, he was appointed in 1976 Professor in Birkbeck College, University of London and in 1989 Honorary Director, Imperial Cancer Research Fund Unit of Structural Molecular Biology. Tom Blundell is a member of Academia Europaea, a Fellow of the Royal Society and Fellow of Academy of Medical Sciences. He has Honorary Doctorates from fifteen universities.

Tom Blundell has played an active role in national science policy. In the 1980s, he was a member of the advisory group to the Prime Minister (ACOST). He was Director General, Agricultural and Food Research Council (1991 1994) and founding Chief Executive, Biotechnology and Biological Sciences Research Council, BBSRC (1994-1996). He was Chairman of the Royal Commission on Environmental Pollution, 1998 to 2005. He was President of the UK Biosciences Federation between 2004 and 2008. He co-founded Astex Therapeutics which has oncology drugs in early stage clinical trials in USA and UK. He was a Non-Executive Director of Celltech from 1996 to 2005 and has been involved in science advisory roles with Pfizer, UCB and SmithKlyneBeecham.

Publications, Links, and Resources

Published Work: 698 Publications, ~40 in Nature & Science 

  1. Arif, S.M., Floto, R.A., Blundell, T.L. (2022) Using Structure-guided Fragment-Based Drug Discovery to Target Pseudomonas aeruginosaInfections in Cystic Fibrosis. Front. Mol. Biosci.,
  2. Blundell, T.L.; Wright, P.E. (2022) Structural Biology - Painting the Mechanistic Landscape of Biomolecules , Journal of Molecular Biology
  3. PDBe-KB consortium (2022). PDBe-KB: collaboratively defining the biological context of structural data.. Nucleic Acids Res, 50(D1), D534-D542. doi:10.1093/nar/gkab988
  4. Christopher A. Beaudoin1, Martin Bartas2, Adriana Volná3, Petr Pečinka2 and Tom L. Blundell1* (2022) Are there hidden genes in DNA/RNA vaccines?, Front. Immunol., 08 February 2022 |
  5. Marta Acebron-Garcia-de-Eulate, Joan Mayol-Llinas, Matthew T. O. Holland, So Yeon Kim, Karen P. Brown, Chiara Marchetti, Jeannine Hess, Ornella Di Pietro, Vitor Mendes, Chris Abell, R. Andres Floto, Anthony G. Coyne, Tom L. Blundell . Discovery of Novel Inhibitors of Uridine Diphosphate N-Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa, an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients Journal of Medicinal Chemistry: jm-2021-01684s (10.1021/acs.jmedchem.1c01684)
  6. Martin Bartas,  Adriana Volná, Christopher A. Beaudoin,  Ebbe Toftgaard Poulsen,  Jiří Červeň,  Václav Brázda,  Vladimír Špunda, Tom L. Blundell,  Petr Pečinka (2022) Unheeded SARS-CoV-2 proteins? A deep look into negative-sense RNA doi: bbac045,
  7. Tata, R.B.; Alsulami, A.F.; Sheik Amamuddy, O.; Blundell, T.L.; Tastan Bishop, Ö. Slipknot orCrystallographic Error: A Computational Analysis of the Plasmodium falciparum DHFR Structural Folds. Int. J. Mol. Sci. 2022, 23, 1514. 10.3390/ijms23031514
  1. Bartas, M.; Slychko, K.; Brázda, V.; Červeň, J.; Beaudoin, C.A.; Blundell, T.L.; Pečinka, P.  (2022) Searching for New Z-DNA/Z-RNA Binding Proteins Based on Structural Similarity to Experimentally Validated Zα Domain. Int. J. Mol. Sci. 23, 768.
  2. Liang, S., Thomas, S.E., Chaplin, A.K., Hardwick, S.W., Chirgadze, D.Y., Blundell, T.L. (2022) Cryo-EM Structural Insights into Inhibitor Regulation of DNA-PKcs. Nature
  3. Charoensutthivarakul, Sitthivut; Thomas, Sherine; Curran, Amy; Brown, Karen; Belardinelli, Juan Manuel; Whitehouse, Andrew; Acebrón-García-de-Eulate, Marta; Sangan, Jasper; Gramani, Subramanian; Jackson, Mary; Mendes, Vitor; Floto, R; Blundell, Tom L.; Coyne, Anthony; Abell, ChrisDevelopment of inhibitors of SAICAR synthetase (PurC) from Mycobacterium abscessus using a fragment-based approach ACS Infectious Diseases Manuscript ID: id-2021-00432n.R2
  4. Beaudoin CA, Blundell TL (2021) Antigenic Structural Similarity as a Predictor for Antibody Cross-Reactivity Journal of Bacteriology and Parasitology, J Bacteriol Parasitol. S12: 001.
  5. Beaudoin, C.A.,  Hamaia, S.W.,  Huang, C.L.H. Blundell, T.L.,  Jackson, A.P. (2021) Can the SARS-CoV-2 spike protein bind integrins independent of the RGD sequence? Front. Cell. Infect. Microbiol.,
  6. Gupta, P., Thomas, S.E., Zaidan, S.A., Pasillas, M.A., Cory-wright, J., Sebasti√°n-P√©rez, V., Burgess, A., Cattermole, E., Meghir, C., Abell, C., Coyne, A.G., Jacobs, W.R., Jr., Blundell, T.L., Tiwari, S., Mendes, V.* A Fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculGosis. Computational and Structural Biotechnology Journal 2021 Jun 1;19:3491-3506. doi: 10.1016/j.csbj.2021.06.006. * - corresponding author. 
  7. Chaplin, A.K., Hardwick, S.W., Kefala Stavridi, A.K., Buehl, C.J., Goff, N.J., Ropars, R., Liang, S. L,  De Oliveira, T.M., Chirgadze, D.Y., Meek, K., Charbonnier, J-B, Blundell. T.L. (2021) Cryo-EM of NHEJ supercomplexes provides insights into DNA repair, Molecular Cell, 81(16) 3400 – 3409, https:// 
  8. Blundell, T.L. (2021) Using a Synthetic Switch to Regulate Insulin Receptor Activation. Proc Natl Acad Sci U S A 118(33) e2111313118:
  9. Christopher A. Beaudoin, Arian R Jamasb, Ali F. Alsulami, Liviu Copoiu, Andries J. van Tonder, Sharif Hala, Bridget P. Bannerman, Sherine E. Thomas, Sundeep Chaitanya Vedithi, Pedro H.M. Torres, Tom L. Blundell, (2021) Predicted structural mimicry of spike receptor-binding motifs from highly pathogenic human coronaviruses Computational and Structural Biotechnology Journal,ISSN 2001-0370,


bioRxiv, version 1, PPRID: PPR316376, DOI: 10.1101/2021.04.23.441187

  1. Hnízda A, Tesina P, Nguyen T-B, Kukačka Z, Kater L, Chaplin AK, Beckmann R, Ascher DB, Novák P, Blundell  TL (2021) SAP domain forms a flexible part of DNA aperture in Ku70/80
  2. Blundell TL (2021) From Revolutionary Technologies for Understanding Genes and Proteins to a Focus on New Therapeutics, Progress in Biophysics and Molecular Biology, ISSN 0079-6107,
  3. Alsulami, A.F., Torres, P.H.M., Moghul, I., Arif, S. M., Chaplin, A.C.,  Vedithi, S.C.,  Blundell, T.L. (2021) COSMIC Cancer Gene Census 3D database: understanding the impacts of mutations on cancer targets. Briefings in Bioinformatics, 00(00), 2021, 1–11
  4. Boeck L, Burbaud S, Skwark M, Bannerman B, Blundell TL, Dionne M. Floto RA (2021) The pathobiology of Mycobacterium abscessus revealed through phenogenomic analysis Nat Genetics NG-LE57572
  5. Torres, P.H. M., Duque Rossi, A., Blundell, T.L. (2021) ProtCHOIR: A tool for proteome-scale generation of homooligomers. Briefings in Bioinformatics, bbab182,
  6. Vedithi CV,   Malhotra S,   Acebrón-García-de-Eulate M,   Matusevicius M, Torres PH and   Blundell TL (2021) Structure-guided computational approaches to unravel druggable proteomic landscape of Mycobacterium leprae. Front. Mol. Biosci. | doi: 10.3389/fmolb.2021.663301
  7. Evans JC, Murugesan D, Post JM, Mendes V, Wang Z, Nahiyaan N, Lynch SL, Thompson S, Green SR, Ray PC, Hess J, Spry C, Coyne AG, Abell C, Boshoff HIM, Wyatt PG, Rhee KY, Blundell TL, Barry CE 3rd, Mizrahi V. Targeting Mycobacterium tuberculosis CoaBC through Chemical Inhibition of 4'-Phosphopantothenoyl-l-cysteine Synthetase (CoaB) Activity. ACS Infect Dis. 2021 May 3. doi: 10.1021/acsinfecdis.0c00904. PMID: 33939919.
  8. Caldararu, O., Blundell, TL., Kepp, KP. (2021) Three Simple Properties Explain Protein Stability Change upon Mutation J. Chem. Inf. Model.

  1. Acebrón-García-de-Eulate, M., Blundell, T. L., & Chaitanya Vedithi, S. (2021). Strategies for drug target identification in Mycobacterium leprae.. Drug Discov Today. doi:10.1016/j.drudis.2021.03.026 
  2. Gaudelet, T., Day, B., Jamasb, A. R., Soman, J., Regep, C., Liu, G., Hayter, J. B. R., Vickers, R., Roberts, C., Tang, J., Roblin, D., Blundell, T. L., Bronstein, M. M., Taylor-King, J. P. (2021) Utilising Graph Machine Learning within Drug Discovery and Development Briefings in Bioinformatics, 1-22 10.1093/blb/bbab159
  3. Jamasb  AR, Day B., Cangea, C., Liò, P., Blundell, T. L. (2021) Deep Learning for Protein–Protein Interaction Site Prediction. Proteomics Data Analysis Daniela Cecconi (ed.), Proteomics Data Analysis, Methods in Molecular Biology, vol. 2361, pp 263-288.,
  4. Maria Jose Cabello-Lobato1, Matthew Jenner2,3, Christian M. Loch4, Stephen P. Jackson5, Qian Wu6, Tom L. Blundell7, Matthew J. Cliff8, Christine K. Schmidt1 (2021) Microarray screening reveals non-conventional SUMO-binding mode linked to DNA repair by non-homologous end-joining. 
  5. Zhang, X., Blundell, T., & Tainer, J. A. (2021). The renaissance in biophysics and molecular biology enabled by the interface of DNA repair and replication with cancer. Prog Biophys Mol Biol. doi:10.1016/j.pbiomolbio.2021.03.006
  6. Hnízda, A., Tesina, P., Nguyen, T. -B., Kukačka, Z., Kater, L., Chaplin, A. K., Blundell, T. L. (2021). SAP domain forms a flexible part of DNA aperture in Ku70/80.. FEBS J. doi:10.1111/febs.15732
  7. Caldararu, O., Blundell, T. L., & Kepp, K. P. (2021). A base measure of precision for protein stability predictors: structural sensitivity.. BMC Bioinformatics, 22(1), 88. doi:10.1186/s12859-021-04030-w.
  8. Blundell, T. L., & Chaplin, A. K. (2021). The resolution revolution in X-ray diffraction, Cryo-EM and other Technologies.. Prog Biophys Mol Biol, 160, 2-4. doi:10.1016/j.pbiomolbio.2021.01.003
  9. Charoensutthivarakul, Sitthivut; Thomas, Sherine; Curran, Amy; Brown, Karen; Belardinelli, Juan; Whitehouse, Andrew; Acebrón, Marta; Gramani, Subramanian; Jackson, Mary; Mendes, Vitor; Floto, R; Blundell, Tom; Coyne, Anthony; Abell, Chris (2021) Development of novel inhibitors targeting Mycobacterium abscessus SAICAR synthetase (PurC) using a fragment-based approach PurC Chemical Science,: SC-EDG-06-2020-003186.R1
  10. Mendes, V., Green, S.R., Evans, J.C. Jeannine Hess, Michal Blaszczyk, Christina Spry, Owain Bryant, James Cory-Wright, Daniel S-H. Chan, Pedro H. M. Torres, Zhe Wang, Navid Nahiyaan, Sandra O’Neill, Sebastian Damerow, John Post, Tracy Bayliss, Sasha L. Lynch, Anthony G. Coyne, Peter C. Ray, Chris Abell, Kyu Y. Rhee, Helena I. M. Boshoff, Clifton E. Barry III, Valerie Mizrahi, Paul G. Wyatt & Tom L. Blundell. (2021) Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site. Nat Commun 12, 143
  11. Munir, A., Wilson, M. T., Hardwick, S., Chirgadze, D., Worrall, J. A., Blundell, T.L., & Chaplin, A. (2021). Using cryo-EM to understand antimycobacterial resistance in the catalase-peroxidase (KatG) from Mycobacterium tuberculosis.. Structure 29(8):899-912.
  12. Bannerman, B.P., Julvez, J., Oarga, A., Blundell, T.L., Moreno, P., & Floto, R.A. (2021). Structural and dynamical analysis of integrated human/SARS-CoV-2 metabolic models present novel treatment strategies against COVID-19. Life Sci Alliance 4 doi:10.21203/
  13. Alsulami, A. F., Thomas, S. E., Jamasb, A. R., Beaudoin, C. A., Moghul, I., Bannerman, B., . . . Blundell, T. L. (2021). SARS-CoV-2 3D database: understanding the coronavirus proteome and evaluating possible drug targets.. Briefings in Bioinformatics, 22(2), 769-780. doi:10.1093/bib/bbaa404
  14. Liang S, Chaplin AK, Kefala Stavridi A, Appleby R, Hnizda A, Blundell TL (2020) 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 doi: 10.1016/j.pbiomolbio.2020.11.008.
  15. Bryant JM, Brown KP, Burbaud S, Everall I, Belardinelli JM, Rodriguez-Rincon D, Grogono DM, Peterson CM, Verma D, Evans IE, Weimann A, Malhotra S, Templeton K, MacGregor G, Jiwa K, Fisher AJ, Blundell TL, Ordway DJ, Jackson M, Parkhill J* & Floto RA*. (2020) Stepwise pathogenic evolution of mycobacteria.  Science. Vol. 372, Issue 6541, eabb8699
  16. Vedithi SC, Malhotra S, Skwark MJ, Munir A, Acebrón-García-De-Eulate M, Waman VP; Alsulami AF; Ascher DB; Blundell TL (2020) Computational and Structural Biotechnology Journal (2020) HARP, a database of structural impacts of systematic missense mutations in drug targets of Mycobacterium leprae. Computational and Structural Biotechnology Journal,
  17. Blundell TL (2020) Interdisciplinary research in physics, chemistry and biology is central to understanding biological. PBMB 156, 1-2
  18. Caldararu, O.; Mehra, R.; Blundell, T. L.; Kepp, K. P. (2020) Systematic Investigation of the Data Set Dependency of Protein Stability Predictors. J. Chem. Inf. Model. 60, 10, 4772–4784
  19. Thapar R, Wang JL, Hammel M, Ye R, Liang K, Sun C, Hnizda A, Liang S, Maw SS, Lee L, Villarreal H, Forrester I, Fang S, Tsai M-S, Blundell TL, Davis AJ, Lin C, Lees-Miller SP, Strick TR, Tainer JA (2020) Mechanism Of Efficient Double-Strand Break Repair By a Long Non-Coding RNA NAR-01343-R-2020.R1 Nucleic Acids Research, 2020, Vol. 48, No. 19 10953–10972  doi: 10.1093/nar/gkaa784
  20. Chaplin A, Hardwick S, Liang S, Kefala Stavridi A, Hnizda A, Cooper L, Maia De Oliveira T, Chirgadze D, Blundell TL (2020) Dimers of DNA-PK create a stage for DNA-double strand break repair. Nature Structural and Molecular Biology.28, 13–19
  21. Munir, A., Vedithi, S., Chaplin, A., & Blundell, T.L. (2020) Genomics, Computational Biology and Drug Discovery for Mycobacterial Infections: Fighting the Emergence of Resistance. Frontiers in Genetics
  22. Blundell, T. L. (2020). A Personal History of Using Crystals and Crystallography to Understand Biology and Advanced Drug Discovery. Crystals, 10 (8)
  23. Jamasb AR, Lió P, Blundell TL. (2020) Graphein - a Python Library for Geometric Deep Learning and Network Analysis on Protein Structures. bioRxiv. p. 2020.07.15.204701. doi:10.1101/2020.07.15.204701
  24. Jamasb, A. R., Day B., Cangea C., Lió P. & Blundell T. L. (2020) Machine Learning Approaches for Prediction of Protein Interactions. Methods in Molecular Biology: Proteomics Data Analysis. Springer.
  25. Caldararu, Octav; Mehra, Rukmankesh; Blundell, Tom L.; Kepp, Kasper Journal of Chemical Information and Modeling (2020) Side-by-Side Comparison of Notch- and C83 Binding to γ-Secretase in a Complete Membrane Model at Physiological Temperature. RSC Advances.

Manuscript ID: ci-2020-005914.R1

  1. Waman VP, Blundell TL, Buchan DWA, Gough J, Jones D, Kelley L, Murzin A, Pandurangan AP, Sillitoe I, Sternberg M et al (2020) The Genome3D Consortium for Structural Annotations of Selected Model Organisms. Methods Mol Biol 2165:27-67 
  2. Scott, D. E., Francis-Newton, N. J., Marsh, M. E., Coyne, A. G., Fischer, G., Moschetti, T., . . . Abell, C. (2021). A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.. Cell Chem Biol. doi:10.1016/j.chembiol.2021.02.006
  3. Maryam A, Khalid RR, Vedithi SC, ECE A, Çınaroğlu SS, Siddiqi AR, Blundell TL (2020) Exploring the structural basis of conformational heterogeneity and autoinhibition of human cGMP-specific protein kinase Iα through computational modelling and molecular dynamics simulations Computational and Structural Biotechnology Journal 18:1625-1638 
  4. Blundell TL, Gupta MN, Hasnain SE (2020) Intrinsic disorder in proteins: Relevance to protein assemblies, drug design and hostpathogeninteractions. Progress in Biophysics and Molecular Biology In Press,
  5. Ribeiro, J., Hammer, Al., Libreros-Zúñiga, Gerardo Andrés; Chavez-Pacheco, Sair; Tyrakis, Petros; de Oliveira, Gabriel; Kirkman, Tim; El Bakali, Jamal; Rocco, Silvana Aparecida; Sforça, Mauricio; Parise Filho, Roberto; Coyne, Anthony; Blundell, Tom L.; Abell, Chris; Dias, Marcio (2020) Using a fragment-based approach to identify alternative chemical scaffolds targeting dihydrofolate reductase from Mycobacterium tuberculosis. Journal: ACS Infectious Diseases. Manuscript ID: id-2020-002633.R2
  6. Kefala Stavridi A,  Appleby R,  Liang S,  Blundell TL, Chaplin AC (2020) Druggable binding sites in the multicomponent assemblies that characterise DNA double-strand-break repair through non-homologous end joining. Essays Biochem (2020) EBC20190092.

  1. Jana K, Mehra R, Dehury B, Blundell TL, Kepp KP (2020) Common mechanism of thermostability in small α- and β-proteins studied by molecular dynamics. Proteins
  2. Larose H, Prokoph N, Matthews JD, Schlederer M, Högler S, Alsulami AF, Ducray SP, Nuglozeh E, Fazaludeen FMS, Elmouna A, Ceccon M, Mologni L, Gambacorti-Passerini C, Hoefler G, Lobello C, Pospisilova S, Janikova A, Woessmann W, Damm-Welk C, Zimmermann M, Federova A, Malone A, Smith O, Wasik M, Inghirami G, Lamant L, Blundell TL, Klapper W, Merkel O, Burke GAA, Mian S, Ashankyty I, Kenner L, Turner SD (2020) Anaplastic Large Cell Lymphoma and points to Notch both as a key pathway and a potential therapeutic target. Haematologica April 2020 : Doi:10.3324/haematol.2019.238766
  3. T. Ochi, V. Quarantotti, H. Lin, J. Jullien, I. Rosa e Silva, F. Boselli, D.D. Barnabas, C.M. Johnson, S.H. McLaughlin, S.M.V. Freund, A.N. Blackford, Y. Kimata, R.E. Goldstein, S.P. Jackson, T.L. Blundell, S.K. Dutcher, F. Gergely, and M. van Breugel (2020) CCDC61/VFL3 is a paralog of SAS6 and promotes ciliary functions. Structure 28, in press
  4. Sabbah M, Mendes V, Vistal R, Dias D, Záhorszká M, Mikušová K; Korduláková J, Coyne A,  Blundell TL, Abell C. (2020) Fragment-based design of Mycobacterium tuberculosis InhA inhibitors J. Med. Chem.
  5. Curran PR, Radoux CJ, Smilova MD, Sykes RA, Higueruelo AP, Bradley AR, Marsden BD, Spring DR, Blundell TL, Leach AR, Pitt WR, Cole JC. Hotspots API: A Python Package for the Detection of Small Molecule Binding Hotspots and Application to Structure-Based Drug Design. J Chem Inf Model. 2020 Apr 27;60(4):1911-1916. doi: 10.1021/acs.jcim.9b00996. Epub 2020 Apr 2. PMID: 32207937.
  6. PDBe-KB consortium (2020)  PDBe-KB: a community-driven resource for structural and functional annotations D344–D353 Nucleic Acids Research, Volume 48, Issue D1, 08 January 2020, Pages D344–D353,
  7. Zhang X, Blundell TL  (2020) Editorial overview: Macromolecular Assemblies Current Opinion in Structural Biology  DOI: 10.1016/ 
  8. Vedithi SC, Rodrigues CHM, Portelli S, Skwark MJ, Das M, Ascher DB, Blundell TL, Malhotra S (2020) Computational Saturation Mutagenesis to predict structural consequences of systematic mutations in the beta subunit of RNA polymerase in Mycobacterium leprae, Computational and Structural Biotechnology Journal, 2020. 18: 271-286. ISSN 2001-0370,

  1. Pandurangan AP, Blundell TL. Prediction of impacts of mutations on protein structure and interactions: SDM, a statistical approach, and mCSM, using machine learning. Protein Science. 2020;29:247–257. https:// 
  2. Thomas, S.E., Whitehouse, A.J., Brown, K., Burbaud, S., Belardinelli, J.M., Sangen, J.,Lahiri, R., Daben, M., Libardo, M.D.J., Gupta, P., Malhotra, S., Boshoff, H.I.M., Jackson, M., Abell, C., Coyne, A.G., Blundell, T.L., Floto, R.A., Mendes, V. (2020) Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Research 48,  8099–8112, gkaa539,
  3. Homeyer N, Deursen R, Ochoa-Montaño B, Heikamp K, Ray P, Zuccotto F, Blundell TL, Gilbert IH (2019) A platform for target prediction of phenotypic screening hit molecules
  4. Sillitoe I, Andreeva A, Blundell TL, Buchan DWA, Finn RD, Gough J, Jones D, Kelley LA, Paysan-Lafosse T, Lam SD, Murzin AG, Pandurangan AP,  Salazar GA,  Skwark MJ,  Sternberg MJE, Velankar S, Orengo C (2019) Genome3D: integrating a collaborative data pipeline to expand the depth and breadth of consensus protein structure annotation. Nucleic Acids Research, gkz967,
  5. Chaplin AK, Blundell TL (2019) Structural biology of multicomponent assemblies in DNA double-strand-break repair through non-homologous end joining. Current Opinion in Structural Biology. 61, 9-16
  6. Trapero A, Pacitto A, Shiu-Hin Chan DS-H, Coyne AG, Blundell TL, Ascher DB, Chris Abell C (2019) Covalent Inactivation of Mycobacterium thermoresistibile inosine-5´-monophosphate dehydrogenase (IMPDH) DOI: 10.1039/x0xx00000x
  7. Saltzberg DJ, Hepburn M, Pilla KB, Schriemer DC, Lees-Miller SP, Blundell TL, Sali A (2019) SSEThread: Integrative threading of the DNA-PKcs sequence based on data from chemical cross-linking and hydrogen deuterium exchange. Prog Biophys Mol Biol 147:92-102
  8. Daniel Shiu-Hin Chan, Jeannine Hess, Elen Shaw, Christina Spry, Robert Starley, Claudio Dagostin, Marcio VB Dias, Ramesh Kale, Vitor Mendes, Tom L Blundell, Anthony G Coyne, Chris Abell (2019) Structural Insights into Escherichia coli  Phosphopantothenoylcysteine Synthetase by Native Ion Mobility-Mass Spectrometry. Biochemical Journal Sep 05, 2019, BCJ20190318; DOI: 10.1042/BCJ20190318
  9. Skwark M, Monteiro Torres P, Copoiu L, Bannerman B, Floto A, Blundell TL (2019) Mabellini: a genome-wide database for understanding the structural proteome and evaluating prospective antimicrobial targets of the emerging pathogen Mycobacterium abscessus. Database
  10. Copoiu L, Torres PHM, Ascher DB, Blundeli TL, Malhotra S (2019) ProCarbDB: a database of carbohydrate-binding proteins Nucleic Acids Research, gkz860,
  11. Whitehouse A, Thomas SE, Brown KP, Fanourakis A, Chan D, Libardo MDJ, Mendes V, Boshoff HIM, Floto RA, Abell C, Blundell TL, Coyne A (2019) Development of inhibitors against Mycobacterium abscessus tRNA (m1G37) methyltransferase (TrmD) using fragment-based approaches. J Med Chem 62(15):7210-7232  doi: 10.1021/acs.jmedchem.9b00809. Epub 2019 Jul 19. PMID: 31282680 
  12. Mendes V, Acebrón-García-de-Eulate M, Verma N, Blaszczyk M, Dias MVB, Blundell TL. (2019) Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate mBio. 2019 Nov 26;10(6):e02272-19. doi: 10.1128/mBio.02272-19. PMID: 31772052
  13. Malhotra S, Alsulami AF, HeiyunY, Montano-Ochoa B, Jubb H, Forbes S, Blundell TL (2019) Understanding the impacts of missense mutations on structures and functions of human cancer-related genes: a preliminary computational analysis of the COSMIC Cancer Gene Census 2019 Jul 19;14(7):e0219935. doi: 10.1371/journal.pone.0219935. 
  14. Munir, A., Kumar, N., Ramalingam, S. B., Tamilzhalagan, S., Shanmugam, S. K., Palaniappan, A. N., Nair, D., et al. (2019). Identification and Characterization of Genetic Determinants of Isoniazid and Rifampicin Resistance in Mycobacterium tuberculosis in Southern India.. Scientific reports, 9 (1), 10283.
  15. Dehury B, Tang N, Blundell TL, Kepp KP (2019) Structure and dynamics of γ-secretase with presenilin 2 compared to presenilin 1 RSC Advances 9(36):20901-20916 
  16. Ranganathan S, Blundell TL (2019) Theory and Simulation: Demystifying GPCRs – Structure, Function and Drug Design. Current Opinion in Structural Biology.Current Opinion in Structural Biology 55:vi-viii
  17. Hnízda A, Blundell TL (2019) Multicomponent assemblies in DNA-double-strand break repair by NHEJ. Curr Opin Struct Biol 55:154-160 
  18. Wu Q, Liang S, Ochi T, Chirgadze DY, Huiskonen JT, Blundell TL (2019) Understanding the structure and role of DNA-PK in NHEJ: How X-ray diffraction and cryo-EM contribute in complementary ways. Progress in Biophysics and Molecular Biology. DOI information: 10.1016/j.pbiomolbio.2019.03.007
  19. Singh V, Pacitto A, Donini S, Ferraris DM, Boros S, Illyés E, Szokol B, Rizzi M, Blundell TL, Ascher DB, Pato J, Mizrahi V (2019) Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur J Med Chem. 2019 Jul 15;174:309-329. doi: 10.1016/j.ejmech.2019.04.027. Epub 2019 Apr 15.PMID: 31055147
  20. Thomas SE, Collins P, James RH, Mendes V, Charoensutthivarakul S, Radoux C, Abell C, Coyne AG, Floto RA, von Delft F, Blundell TL. (2019) Structure-guided fragment-based drug discovery at the synchrotron: screening binding sites and correlations with hotspot mapping. Philos Trans A Math Phys Eng Sci. 2019 Jun 17;377(2147):20180422. doi: 10.1098/rsta.2018.0422.PMID: 31030650
  21. Whitehouse A, Thomas SE, Brown KP, Fanourakis A, Chan D, Libardo MDJ, Mendes V, Boshoff HIM, Floto RA, Abell C, Blundell TL, Coyne A (2019) Development of inhibitors against Mycobacterium abscessus tRNA (m1G37) methyltransferase (TrmD) using fragment-based approaches. J Med Chem 62(15):7210-7232  doi: 10.1021/acs.jmedchem.9b00809. Epub 2019 Jul 19. PMID: 31282680 
  22. Maryam A, Vedithi SC, Khalid RR, Alsulami AF, Torres PHM, Siddiqi AR, Blundell TL (2019) Computational and Structural Biotechnology Journal 17:378-389 01 Jan 2019 (2019) The molecular organization of human cGMP specific phosphodiesterase 6 (PDE6): Structural implications of somatic mutations in cancer and retinitis pigmentosa. Computational and Structural Biotechnology Journal. 17:378-389 DOI information: 10.1016/j.csbj.2019.03.004 
  23. Waman VP, Vedithi SC, Thomas SE, Bannerman BP, Munir A, Skwark MJ, Malhotra S, Blundell T L (2019) Mycobacterial genomics and structural bioinformatics: Opportunities and challenges in drug discovery. Emerging Microbes & Infections 8(1):109-118 16 PMC6334779
  24. Nishi R, Wijnhoven PWG, Kimura Y, Matsui M, Konietzny R, Wu Q, Nakamura K, Blundell TL, Kessler BM (2018) The deubiquitylating enzyme UCHL3 regulates Ku80 retention at sites of DNA damage. Sci Rep. 2018 Dec 17;8(1):17891. doi: 10.1038/s41598-018-36235-0.
  25. Bishi LY, Vedithi SC, Blundell TL and Mugumbate GC (2018) Computational Deorphaning of Mycobacterium tuberculosis Targets InTechOpen DOI: 10.5772/intechopen.82374
  26. Tiwari S, van Tonder AJ, Vilchèze C, Mendes V, Thomas SE, Malek A, Chen B, Chen M, Kim J, Blundell TL, Parkhill J, Weinrick B, Berney M, Jacobs WR (2018) Arginine-deprivation–induced oxidative damage sterilizes Mycobacterium tuberculosis Proc Natl Acad Sci U S A 115(39):9779-9784 doi: 10.1073/pnas.1808874115. Epub 2018 Aug 24. PMID: 30143580.
  27. Vedithi SC, Malhotra S, Das M, Daniel S, Kishore N, George AE, Arumugam S, Rajan L, Ebenezer M, Ascher DB, Arnold E, Blundell TL (2018) Structural Implications of Mutations Conferring Rifampin Resistance in Mycobacterium leprae Sci Rep. 2018 Mar 22;8(1):5016. doi: 10.1038/s41598-018-23423-1.
  28. Roca C, Requena C, Sebastián-Pérez V, Malhotra S, Radoux C, Pérez C, Martinez A, Antonio Páez J, Blundell TL, Campillo NE (2018) Identification of new allosteric sites and modulators of AChE through computational and experimental tools. J Enzyme Inhib Med Chem 33(1):1034-1047 Dec 2018 Author URL  DOI for this publication
  29. Wang JL, Duboc C, Wu Q, Ochi T, Liang S, Tsutakawa SE, Lees-Miller SP, Nadal M, Tainer JA, Blundell TL & Strick TR (2018) Dissection of DNA double-strand-break repair using novel single-molecule forceps. Nature Structural & Molecular Biology 25(6):482-487 doi:10.1038/s41594-018-0065-1
  30. Trapero A, Paccito A, Singh V, Sabbah M, Coyne A, Mizrahi V, Blundell T, Ascher D, Abell C (2018)  Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. J. Med. Chem., 2018, 61 (7), pp 2806–2822 DOI: 10.1021/acs.jmedchem.7b01622
  31. Malhotra, S.,Vedithi, S.C.,Blundell, T.L. (2018) Decoding the similarities and differences among mycobacterial species PLoS Neglected Tropical Diseases  11 (8. e0005883) PMID: 28854187
  32. Chan, D.S.H., Seetoh, W.G., McConnell, B.N., Matak-Vinkovic, D.,Thomas, S.E., Mendes, V., Blaszczyk M., Coyne A.G., Blundell T,L., Abell C. (2017). Research data supporting "Structural insights into the EthR-DNA interaction using native mass spectrometry" [Dataset].
  33. Blundell, T. L. (2017), Book Review on “Molecular Biology of Assemblies and Machines” by Alasdair Steven, Wolfgang Baumeister, Louise Johnson and Richard Perham. Published by Garland Science, Taylor and Francis Group. FEBS Lett. doi:10.1002/1873-3468.12876
  34. Mugumbate G, Mendes V, Blaszczyk M, Sabbah M, Papadatos G, Lelievre J, Ballell L, Barros D, Abell C, Blundell TL, Overington JP.(2017)Target identification of Mycobacterium tuberculosis phenotypic hits using a concerted chemogenomic, biophysical and structural approach. Frontiers in Pharmacology. PMID: 29018348
  35. Malhotra S, Mugumbate G, Blundell TL, Higueruelo AP (2017) TIBLE: a web-based, freely accessible resource for small-molecule binding data for mycobacterial species. Database (Oxford);: bax041. doi: 10.1093/database/bax041 PMID: 29220433
  36. Thomas SE, Mendes V, Kim SY, Malhotra S, Ochoa-Montaño B, Blaszczyk M, Blundell TL (2017) Structural biology and the design of new therapeutics: from HIV and cancer to mycobacterial infections.  J Mol Biol 429(17):2677-2693 PMID: 28648615
  37. Blundell, T.L. (2017) Protein crystallography and drug discovery: recollections of knowledge exchange between academia and industry IUCrJ 4:308-321 PMID: 28875019
  38. Ochoa-Montaño B, Blundell TL (2017) XSuLT: a web server for structural annotation and representation of sequence-structure alignments. Nucleic Acids Res. 2017 Jul 3;45(W1):W381-W387. doi: 10.1093/nar/gkx421.PMID: 28510698
  39. Pandurangan A, Ochoa-Montaño B, Ascher DB, Blundell TL (2017) SDM: a server for predicting effects of mutations on protein stability. Nucleic Acids Res 45 (W1): W229-W235. doi: 10.1093/nar/gkx439 PMID: 28525590
  40. Singh V, Donini S, Pacitto A, Sala C, Hartkoorn RC, Dhar N, Keri G, Ascher DB, Mondesert G, Vocat A, Lupien A, Sommer R, Vermet H, Lagrange S, Buechler J, Warner DF, McKinney JD, Pato J, Cole ST, Blundell TL, Rizzi M, Mizrahi V (2017) The Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug Target for Tuberculosis. ACS Infect Dis. 2017 Jan 13;3(1):5-17. doi: 10.1021/acsinfecdis.6b00102. Epub 2016 Sep 8. PMID: 27726334
  41. Chan, D. S.-H., Mendes, V., Thomas, S. E., McConnell, B. N., Matak-Vinković, D., Coyne, A. G., Blundell, T. L. and Abell, C. (2017), Fragment screening against the EthR-DNA interaction by native mass spectrometry. Angewandte Chemie 129(26):7596-7599. Epub 2017 May 31. PMID: 28513917
  42. Shiu-Hin Chan D, Seetoh WG, McConnell BN, Matak-Vinković D, Thomas SE, Mendes V, Blaszcyk M, Coyne AG, Blundell TL, Abell C. (2017) Structural insights into the EthR-DNA interaction using native mass spectrometry.Chem Commun 23;53(25):3527-3530. doi: 10.1039/c7cc00804j. PMID: 28287239 
  43. Chirgadze DY, Ascher DB, Blundell TL, Sibanda BL (2017) DNA-PKcs, allostery and DNA double-strand-break repair: defining the structure and setting the stage. Methods in Enzymology. In: Brandt F. Eichman, editor, Methods in Enzymology, Vol. 592, Burlington: Academic Press, pp. 145-157 doi: 10.1016/bs.mie.2017.04.001. PMID: 28668119.
  44. Nikiforov PO, Blaszczyk M, Surade S, Boshoff HI, Sajid A, Delorme V, Deboosere N, Brodin P, Baulard AR, Barry CE 3rd, Blundell TL, Abell C. (2017) Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays. ACS Chem Biol 12(5):1390-1396 doi: 10.1021/acschembio.7b00091. PMID: 28314097 
  45. Pandurangan AP, Ascher DB, Thomas SE, Blundell TL. (2017) Genomes, structural biology and drug discovery: combating the impacts of mutations in genetic disease and antibiotic resistance. Biochem Soc Trans. 2017 Apr 15;45(2):303-311. doi: 10.1042/BST20160422. Review. PMID: 28408471
  46. Jubb HC, Higueruelo AP, Ochoa-Montaño B, Pitt WR, Ascher DB, Blundell TL (2017) Arpeggio: A Web Server for Calculating and Visualising Interatomic Interactions in Protein Structures. J Mol Biol. 2017 Feb 3;429(3):365-371. doi: 10.1016/j.jmb.2016.12.004 PMID: 27964945; PMCID: PMC5282402
  47. Shiu-Hin Chan D, Seetoh WG, McConnell BN, Matak-Vinković D, Thomas SE, Mendes V, Blaszczyk M, Coyne AG, Blundell TL, Abell C. (2017) Structural insights into the EthR-DNA interaction using native mass spectrometry. Chem Commun (Camb). 2017 Mar 23;53(25):3527-3530. doi: 10.1039/c7cc00804j.PMID: 28287239
  48. Chang HHY, Watanabe G, Gerodimos CA, Ochi T, Blundell TL, Jackson SP, Lieber MR (2017) Unchecked box Different DNA End Configurations Dictate Which NHEJ Components Are Most Important for Joining Efficiency. J Biol Chem 291(47):24377-24389 PMID: 27703001
  49. Sibanda BL, Chirgadze DY, Ascher DB, Blundell TL (2017) DNA-PKcs structure suggests an allosteric mechanism modulating DNA double-strand break repair. Science 355 (6324), 520-524. [doi: 10.1126/science.aak9654] PMID: 28154079
  50. Malhotra S, Thomas SE, Ochoa Montano B, Blundell TL (2016) Structure-guided, target-based drug discovery - exploiting genome information from HIV to mycobacterial infections. Postepy Biochem. 2016;62(3):262-272. PMID: 28132480
  51. Yumi Park, Angela Pacitto, Tracy Bayliss, Laura A. T. Cleghorn, Zhe Wang, Travis Hartman, Kriti Arora, Thomas R. Ioerger, Jim Sacchettini, Menico Rizzi. Stefano Donini, Tom L. Blundell, David B. Ascher‡, Kyu Rhee⊗, Ardala Breda#, Nian Zhou#, Veronique DartoisΔ, Surendranadha Reddy Jonnala, Laura E. Via, Valerie Mizrahi, Ola Epemolu, Laste Stojanovski, Fred Simeons, Maria Osuna-Cabello. Lucy Ellis, Claire J. MacKenzie, Alasdair R. C. Smith, Susan H. Davis, Dinakaran Murugesan, Kirsteen I. Buchanan, Penelope A. Turner, Margaret Huggett, Fabio Zuccotto, Maria Jose Rebollo-Lopez, Maria Jose Lafuente-Monasterio, Olalla Sanz, Gracia Santos Diaz, Joël Lelièvre, Lluis Ballell, Carolyn Selenski, Matthew Axtman, Sonja Ghidelli-Disse, Hannah Pflaumer, Markus Bösche, Gerard Drewes, Gail M. Freiberg, Matthew D. Kurnick, Myron Srikumaran, Dale J. Kempf, Simon R. Green, Peter C. Ray, Kevin Read, Paul Wyatt, Clifton E. Barry, and Helena I. Boshoff (2016) Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis. ACS Infect. Dis., 2017, 3 (1), pp 18–33 DOI: 10.1021/acsinfecdis.6b00103 PMID: 27704782
  52. Jubb HC, Pandurangan AP, Turner MA, Ochoa-Montañoa B, Blundell TL, Ascher DB (2016) Mutations at protein-protein interfaces: Small changes over big surfaces have large impacts on human health Prog Biophys Mol Biol. 2016 Nov 29. pii: S0079-6107(16)30031-1. doi: 10.1016/j.pbiomolbio.2016.10.002. PMID: 27913149
  53. Mendes V, Blundell TL (2017) Targeting tuberculosis using structure-guided fragment-based drug design. Drug Discovery Today 22, 546–554
  54. Moschetti T, Sharpe T, Fischer G, Marsh ME, Ng HK, Morgan M, Scott D, Blundell TL, Venkitaraman A, Skidmore J, Abell  CA, Hyvönen M (2016) Engineering archeal surrogate systems for the development of protein–protein interaction inhibitors against human RAD51 J Mol Biol. 2016 Nov 20;428(23):4589-4607. doi: 10.1016/j.jmb.2016.10.009. PMID: 27725183
  55. Liang S, Esswein SR, Ochi T, Wu Q, Asher D, Chirgadze D, Sibanda BL, Blundell TL (2016) Achieving selectivity in space and time with DNA double-strand-break response and repair: molecular stages and scaffolds come with strings attached. Journal Structural Chemistry, 28(1), 161-171DOI: 10.1007/s11224-016-0841-7
  56. Luciani R, Saxena P, Surade S, Santucci M, Venturelli A, Borsari C, Marverti G, Ponterini G, Ferrari S, Blundell TL, and Costi MP (2016) Virtual screening and X-ray crystallography Identify non-substrate analog inhibitors of Flavin-dependent Thymidylate Synthase J.Med.Chem 59(19):9269-9275  DOI: 10.1021/acs.jmedchem.6b00977 PMID: 27589670
  57. Pires DE, Blundell TL & Ascher DB (2016) mCSM-lig: quantifying the effects of mutations on protein-small molecule affinity in genetic disease and emergence of drug resistance. Sci Rep 6: Art No, 29575 doi:10.1038/srep29575. PMID: 27384129
  58. Marsh, M. E., Scott, D. E., Ehebauer, M. T., Abell, C., Blundell, T. L. and Hyvönen, M. (2016), ATP half-sites in RadA and RAD51 recombinases bind nucleotides. FEBS Open Bio. 6:372-385 doi: 10.1002/2211-5463.12052. eCollection 2016 May. PMID: 27419043 
  59. Radoux CJ, Olsson TSG, Pitt WR, Groom CR, Blundell TL (2016) Identifying Interactions that Determine Fragment Binding at Protein Hotspots J. Med. Chem., 2016, 59 (9), pp 4314–4325  DOI: 10.1021/acs.jmedchem.5b01980 PMID: 27384129
  60. Scott, D. E., Marsh, M., Blundell, T. L., Abell, C. and Hyvönen, M. (2016), Structure-activity relationship of the peptide binding-motif mediating the BRCA2:RAD51 protein–protein interaction. FEBS Lett, 590: 1094–1102. doi:10.1002/1873-3468.12139 PMID: 26992456
  61. Wu Q, Paul A, Su D, Mehmood S, Foo TK, Ochi T, Bunting EL, Xia B, Robinson CV, Wang B , Blundell TL (2016) Structure of BRCA1-BRCT/Abraxas Complex Reveals Phosphorylation-Dependent BRCT Dimerization at DNA Damage Sites. Mol Cell. 2016 Feb 4; 61(3): 434–448. 
    1. doi:  10.1016/j.molcel.2015.12.017 PMID: 26778126
  62. Nikiforov PO, Surade S, Blaszczyk M, Delorme V, Brodin P, Baulard AR, Blundell TL, Abell C (2016) A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters Organic & Biomolecular Chemistry, 2016, 14, 2318 – 2326 doi: 10.1039/c5ob02630j. PMID: 26806381
  63. Pires DE, Chen J, Blundell TL, Ascher DB (2016) In silico functional dissection of saturation mutagenesis: Interpreting the relationship between phenotypes and changes in protein stability, interactions and activity. Sci Rep 6:19848 doi: 10.1038/srep19848. PMID: 26797105
  64. Winter A, Sigurdardottir AG, DiCara D, Valenti G, Blundell TL, and Gherardi E (2015) Developing Antagonists for the Met-HGF/SF Protein–Protein Interaction Using a Fragment-Based Approach. Molecular Cancer Therapeutics. Mol Cancer Ther. 2016 Jan;15(1):3-14. doi: 10.1158/1535-7163.MCT-15-0446. PMID: 26712116
  65. Pacitto A, Ascher DB, Wong LH, Blaszczyk BK, Nookala RK, Zhang N, Dokudovskaya S, Levine TP, Blundell  TL. 2015 Lst4, the yeast Fnip1/2 orthologue is a DENN-family protein. Open Biol. 5: 150174. 26631379
  66. Hung AW, Silvestre HL, Wen S, George GP, Boland J, Blundell TL, Ciulli A, Abell C (2015) Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis. ChemMedChem. 11: 38–42, DOI: 10.1002/cmdc.201500414 PMID: 26486566
  67. Mendes V, Blaszczyk M, Maranha A, Empadinhas N, Blundell TL (2015) Structure of Mycobacterium thermoresistibile GlgE defines novel conformational states that contribute to the catalytic mechanism. Scientific Reports. doi: 10.1038/srep17144. PMID: 26616850
  68. Sigurdardottir AG, Winter A, Sobkowicz AD, Fragai, Chirgadze D, Ascher D, Blundell TL, Gherardi E (2015) Exploring the chemical space of M the lysine-binding pocket of the first kringle domain of Hepatocyte Growth Factor/Scatter Factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding CHEMICAL SCIENCE 6, 6147- 6157. DOI: 10.1039/C5SC02155C
  69. Metri R, Hariharaputran S, Ramakrishnan G, Anand P, Raghavender US, Ochoa-Montaño B, Higueruelo AP, Sowdhamini R, Chandra NR, Blundell TL, Srinivasan N (2015) SInCRe-structural interactome computational resource for Mycobacterium tuberculosis. Database (Oxford). pii: bav060. doi: 10.1093/database/bav060. PMID: 26130660
  70. Ascher, D.B., Jubb, H.C., Pires, D.E., Ochi, T., Higueruelo, A. and Blundell, T.L., 2015. Protein-Protein Interactions: Structures and Druggability, in: Scapin, G., Patel, D. and Arnold, E. (Eds.), Multifaceted Roles of Crystallography in Modern Drug Discovery. Springer Netherlands, pp. 141-163.
  71. Blaszczyk M, Harmer NJ, Chirgadze DY, Ascher DB, Blundell TL  (2015) Achieving high signal-to-noise in cell regulatory systems: Spatial organization of multiprotein transmembrane assemblies of FGFR and MET receptors, Prog Biophys Mol Biol. 2015 Sep;118(3):103-11. doi: 10.1016/j.pbiomolbio.2015.04.007. PMID: 25957048
  72. Lewis, TE; Sillitoe, I; Andreeva, A; Blundell, TL; Buchan, DWA; Chothia, C; Cozzetto, D; Dana, JM; Filippis, I; Gough, J; Jones, DT; Kelley, LA; Kleywegt, GJ; Minneci, F; Mistry, J; Murzin, AG; Ochoa-Montano, B; Oates, ME; Punta, M; Rackham, OJL; Stahlhacke, J; Sternberg, MJE; Velankar, S; Orengo, C (2015) Genome3D: exploiting structure to help users understand their sequences  Nucleic Acids Research  43 (Database issue): D382–D386.

Published online 2014 Oct 27. doi: 10.1093/nar/gku973

  1. Jafri M, Wake NC, Ascher DB, Pires DEV, Gentle D, Morris MR, Rattenberry E, Simpson MA, Trembath RC, Weber A, Woodward ER, Donaldson A, Blundell TL, Latif F, Maher ER (2015) Germline Mutations in the CDKN2B tumor suppressor gene predispose to renal cell carcinoma. Cancer Discov. 5(7):723-9. doi: 10.1158/2159-8290.CD-14-1096. Epub 2015 Apr 14. PMID: 25873077
  2. Pires DEV, Blundell TL, Ascher DB (2015) pkCSM: predicting small-molecule pharmacokinetic and toxicity properties using graph-based signatures. Journal of Medicinal Chemistry 58 (9), 4066–4072; DOI:10.1021/acs.jmedchem.5b00104 
  3. Ochoa-Montano B, Mohan N and Blundell TL (2015) CHOPIN: a web resource for the structural and functional proteome of Mycobacterium tuberculosis Database, 2015, 1–10 doi: 10.1093/database/bav026 PMID: 25833954
  4. Nemethova M, Radvanszky J, Kadasi L, Ascher DB, Pires DE, Blundell TL, Porfirio B, Mannoni A, Santucci A, Milucci L, et al. (2015) Twelve novel HGD gene variants identified in 99 alkaptonuria patients: focus on 'black bone disease' in Italy. Eur J Hum Genet. 24(1):66-72. doi: 10.1038/ejhg.2015.60. PMID: 25804398 
  5. Wu Q, Jubb H, Blundell TL (2015) Phosphopeptide interactions with BRCA1 BRCT domains: More than just a motif. Prog Biophys Mol Biol. 2015 Feb 17. pii: S0079-6107(15)00013-9. doi: 10.1016/j.pbiomolbio.2015.02.003. PMID: 25701377
  6. Usher JL, Ascher DB, Pires DEV, Milan A, Blundell TL, Ranganath L (2015) Analysis of HGD Gene Mutations in Patients with Alkaptonuria from the United Kingdom: Identification of Novel Mutations. Lakshminarayan RJIMD reports 02/2015; DOI: 10.1007/8904_2014_380 PMID: 25681086
  7. Murray JE, van der Burg M, IJspeert H, Carroll P, Wu Q, Ochi T, Leitch A, Miller ES, Kysela B, Jawad A, Bottani A, Brancati F, Cappa M, Cormier-Daire V, Deshpande C, Faqeih EA, Graham GE, Ranza E, Blundell TL, Jackson AP, Stewart GS, Bicknell LS (2015) Mutations in the NHEJ Component XRCC4 Cause Primordial Dwarfism. Am J Hum Genet. 5;96(3):412-24 pii: S0002-9297(15)00021-X. doi: 10.1016/j.ajhg.2015.01.013. PMID: 25728776
  8. Ochi T, Blackford AN, Coates J, Jhujh S, Mehmood S, Tamura N, Travers J, Wu Q, Draviam VM, Robinson CV, Blundell TL, Jackson SP (2015) PAXX, a paralog of XRCC4 and XLF, interacts with Ku to promote DNA double-strand break repair. Science 347(6218):185-188  doi: 10.1126/science.1261971.PMID: 25574025
  9. Jubb H, Blundell TL & Ascher D (2015) Flexibility and small pockets at protein-protein interfaces: new insights into druggability. Prog.Bioph.Mol.Biol. 119,  2–9  doi: 10.1016/j.pbiomolbio.2015.01.009. Epub 2015 Feb 7. Review. PMID: 25662442 
  10. Ramakrishnan G, Ochoa-Montaño B, Raghavender US, Mudgal R, Joshi AG, Chandra Ramakrishnan NR, Sowdhamini R, Blundell TL, Srinivasan N (2015) Enriching the annotation of Mycobacterium tuberculosis H37Rv proteome using remote homology detection approaches: Insights into structure and function. Tuberculosis 95, 14-25 doi: 10.1016/ PMID: 25467293
  11. Scott, DE, Coyne, AG, Venkitaraman, A, Blundell, TL, Abell, C, Hyvonen, M, (2015) Small-Molecule Inhibitors That Target Protein–Protein Interactions in the RAD51 Family of Recombinases  ChemMedChem 10(2):296-303 DOI: 10.1002/cmdc.201402428 PMID: 25470112
  12. Hepburn L, Prajsnar TK, Klapholz C, Moreno P, Loynes CA, Ogryzko NV, Brown K, Schiebler M, Hegyi K, Antrobus R, Hammond KL, Connolly J, Ochoa B, Bryant C, Otto M, Surewaard B, Seneviratne SL, Grogono DM, Cachat J, Ny T, Kaser A, Török ME, Peacock SJ, Holden M, Blundell T, Wang L, Ligoxygakis P, Minichiello L, Woods CG, Foster SJ, Renshaw SA, Floto RA (2014) Innate immunity. A Spaetzle-like role for nerve growth factor β in vertebrate immunity to Staphylococcus aureus. Science 346(6209):641-646
  13. Pires DEV, Blundell TL & Ascher DB (2014) Platinum: a database of experimentally measured effects of mutations on structurally defined protein-ligand complexes. Nucleic Acids Research D387-91; doi: 10.1093/nar/gku966 PMID: 25324307
  14. Pitt WR, Montalvão RW & Blundell TL (2014) Polyphony: superposition independent methods for ensemble-based drug discovery.  BMC Bioinformatics; 15(1):324. DOI: 10.1186/1471-2105-15-324
  15. Howard NI, Dias MVB, Peyrot F, Chen L, Schmidt MF, Blundell TL, Abell C (2014) Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis ChemMedChem, DOI: 10.1002/cmdc.201402298
  16. Arora K, Ochoa-Montaño B, Tsang PS, Blundell TL, Dawes SS, Mizrahi V, Bayliss T, Mackenzie CJ, Cleghorn LA, Ray PC, Wyatt PG, Uh E, Lee J, Barry CE, Boshoff HI(2014) Respiratory flexibility in response to inhibition of cytochrome C oxidase in Mycobacterium tuberculosis. Antimicrob. Agents Chemother. AAC.03486-14; doi: 10.1128/AAC.03486-14
  17. Mageed SN, Cunningham F, Hung AW, Silvestre HL, Wen S, Blundell TL, Abell C, McConkey GA (2014) Pantothenic acid biosynthesis in the parasite Toxoplasma gondii: a target for chemotherapy. Antimicrob Agents Chemother 21 Jul 2014 Author URL DOI
  18. Gossage L, Pires DE, Olivera-Nappa A, Asenjo J, Bycroft M, Blundell TL, Eisen T (2014) An integrated computational approach can classify VHL missense mutations according to risk of clear cell Renal carcinoma Hum Mol Genet (2014) Hum Mol Genet. 23: 5976-88 doi: 10.1093/hmg/ddu321. PMID: 24969085
  19. Pires DEV, AscherDB and Blundell TL (2014) DUET: a server for predicting effects of mutations on protein stability using an integrated computational approach. Nucleic Acids Res. 2014 Jul;42(Web Server issue):W314-9. doi: 10.1093/nar/gku411. PMID: 24829462
  20. Ballester PJ, Schreyer A, Blundell TL (2014) Does a more precise chemical description of protein-ligand complexes lead to more accurate prediction of binding affinity? Journal of Chemical Information and Modeling 54(3):944-955 
  21. Brown A, Adam LE, Blundell TL (2014) The crystal structure of fibroblast growth factor 18 (FGF18). Protein Cell Protein Cell. 2014 May; 5(5): 343–347. doi:  10.1007/s13238-014-0033-4 PMCID: PMC3996155
  22. Webb ME, Yorke BA, Kershaw T, Lovelock S, Lobley CM, Kilkenny ML, Smith AG, Blundell TL, Pearson AR, Abell C (2014) Threonine 57 is required for the post-translational activation of Escherichia coli aspartate α-decarboxylase. Acta Crystallogr D Biol Crystallogr 70(Pt 4):1166-1172 
  23. Ochi T, Wu Q, Blundell TL (2014) The spatial organization of non-homologous end joining: From bridging to end joining. DNA Repair 17:98-109. doi: 10.1016/j.dnarep.2014.02.010. PMID: 24636752
  24. Surade S, Ty N, Hengrung N, Lechartier B, Cole ST, Abell C, Blundell TL (2014) A structure-guided fragment-based approach to the discovery of allosteric inhibitors: targeting the lipophilic binding site of the transcription factor EthR from Mycobacterium tuberculosis, Biochem J 458(2):387-394 01 Mar 2014 Author URL DOI
  25. de Araujo FT, Bolanos-Garcia VM, Pereira CT, Sanches M, Oshiro EE, Ferreira RCC, Chigardze DY, Goncalves  Barbosa JA, de Souza Ferreira LC, Benedetti CE, Blundell TL, Balan A (2013) Structural and Physiological Analyses of the Alkanesulphonate-Binding Protein (SsuA) of the Citrus Pathogen Xanthomonas citri A PLoS One. 2013 Nov 25;8(11):e80083. doi: 10.1371/journal.pone.0080083. PMID: 24282519 
  26. Pires DEV, Ascher DB, Blundell TL (2013) mCSM: predicting the effects of mutations in proteins using graph-based signatures. Bioinformatics 30(3):335-342 PMID: 24281696
  27. GGupta
  28.  D, Beaufils S, Vie V, Paboeuf G, Broadhurst W, Schweisguth F, Blundell TL, Bolanos-Garcia VM (2013) Crystal structure, biochemical and biophysical characterisation of NHR1 domain of E3 Ubiquitin ligase neutralized, Advances in Enzyme Research 1, 61-75
  29. Dias MV, Tyrakis P, Domingues RR, Paes Leme AF, Blundell TL (2014) Mycobacterium tuberculosis dihydrofolate reductase reveals two conformational states and a possible low affinity mechanism to antifolate drugs. Structure 22(1):94-103 07 Jan 2014 Author URL DOI
  30. Ochi T, Gu X, Blundell TL (2013) Structure of the Catalytic Region of DNA Ligase IV in Complex with an Artemis Fragment Sheds Light on Double-Strand Break Repair. Structure. 2013 Apr 2; 21(4): 672–679.
  31. Bolanos-Garcia VM, Blundell TL (2013) BUB1 (budding uninhibited by benzimidazoles1 homolog (yeast)) Atlas of Genetics and Cytogenetics in Oncology and Haematology 02/2012; 16(1): 7-11
  32. Schreyer AM & Blundell TL (2013) CREDO: a structural interactomics database for drug discovery. Database (Oxford). 2013 Jul 18;2013:bat049. doi: 10.1093/database/bat049. PMID: 23868908
  33. Silvestre HL, Blundell TL, Abell C, Ciulli A (2013) Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery. Proceedings of the National Academy of Sciences. Proc Natl Acad Sci U S A. 2013 Aug 6;110(32):12984-9. doi: 10.1073/pnas.1304045110. Epub 2013 Jul 19.
  34. Arendse L, Blundell TL, Blackburn J (2013) Combining in silico protein stability calculations with structure-function relationships to explore the effect of polymorphic variation on cytochrome P450 drug metabolism. Current Drug Metabolism, 14, 745-763
  35. Higueruelo A.P., Jubb H. and Blundell T.L. (2013) TIMBAL v2: update of a database holding small molecules modulating protein–protein interactions. Database (2013) Vol. 2013: article ID bat039; doi:10.1093/database/bat039
  36. Brown A, Robinson CJ, Gallagher JT, Blundell TL (2013) Cooperative Heparin-Mediated Oligomerization of Fibroblast Growth Factor-1 (FGF1) Precedes Recruitment of FGFR2 to Ternary Complexes. Biophys J. 2013 Apr 16;104(8):1720-30. doi: 10.1016/j.bpj.2013.02.051. PMID: 23601319 
  37. C, Schieborr U, Saxena K, Juraszek J, De Smet F, Alcouffe C, Bianciotto M, Saladino G, Sibrac D, Kudlinzki D, Sreeramulu S, Brown A, Rigon P, Herault J-P, Lassalle G, Blundell TL, Rousseau F, Gils A, Schymkowitz J, Tompa P, Herbert J-M, Carmeliet P, Gervasio FL, Schwalbe H, & Bono F (2013) Molecular Mechanism of SSR128129E, an Extracellularly Acting, Small-Molecule, Allosteric Inhibitor of FGF Receptor Signaling. Cancer Cell 23, 489–501. PMID: 27479031
  38. Higueruelo AP, Jubb H, Blundell TL (2013) Multiprotein Assemblies: Modulating Cell Activity Through Targeting Protein-Protein Interfaces. In Biomolecular Forms and Functions: A Celebration of 50 Years of the Ramachandran Map. Ed Nansal M, Srinivasan N. Indian Institute Science Press. pp 1-13
  39. Lewis TE, Sillitoe I, Andreeva A, Blundell TL, Buchan DW, Chothia C, Cuff A, Dana JM, Filippis I, Gough J, et al. (2013) Genome3D: a UK collaborative project to annotate genomic sequences with predicted 3D structures based on SCOP and CATH domains. Nucleic Acids Res 41(D1):D499-D507 doi: 10.1093/nar/gku973. PMID: 25348407 
  40. Scott DE, Ehebauer MT, Pukala T, Marsh M, Blundell TL, Venkitaraman AR, Abell C, Hyvönen M (2013) Using a Fragment-Based Approach To Target Protein–Protein Chembiochem. 2013 Feb 11;14(3):332-42. doi: 10.1002/cbic.201200521. PMID: 23344974
  41. Higueruelo AP, Jubb H, Blundell TL (2013) Protein–protein interactions as druggable targets: recent technological advances. Current Opinion in Pharmacology 13(5):791-796
  42. Schmidt MF, Korb O, Howard NI, Dias MVB, Blundell TL, Abell C (2013) Discovery of Schaeffer's Acid Analogues as Lead Structures of Mycobacterium tuberculosis Type II Dehydroquinase Using a Rational Drug Design Approach. ChemMedChem 8(1):54-8. doi: 10.1002/cmdc.201200508. Epub 2012 Nov 21. PMID: 23169689
  43. Higueruelo AP, Schreyer A, Bickerton GR, Blundell TL, Pitt WR (2012) What can we learn from the evolution of protein-ligand interactions to aid the design of new therapeutics? PLoS One. 2012;7(12):e51742. doi: 10.1371/journal.pone.0051742. PMID: 23240060 
  44. Thebault P, Chirgadze DY, Dou Z, Blundell TL, Elowe S, Bolanos-Garcia VM (2012) Structural and functional insights into the role of the N-terminal Mps1 TPR domain in the SAC (spindle assembly checkpoint). Biochem J. 2012 Dec 15;448(3):321-8. doi: 10.1042/BJ20121448.
    1. PMID: 23067341
  45. Schreyer AM, Blundell TL (2012) USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints. J Cheminform 4(1):27 06 Nov 2012 Author URL DOI
  46. Winter A, Higueruelo AP, Marsh M, Sigurdardottir A, Pitt WR, Blundell TL (2012) Biophysical and Computational Fragment-based Approaches to Targeting Protein-Protein Interactions: Applications in Structure-guided Drug Discovery. Q Rev Biophys. 45: 383-426 doi: 10.1017/S0033583512000108. PMID: 22971516
  47. Nookala RK, Langemeyer L, Pacitto A, Ochoa-Montaño B, Donaldson JC, Blaszczyk BK, Chirgadze DY, Barr FA, Bazan JF and Blundell TL (2012) Crystal structure of folliculin reveals a hidDENN function in genetically inherited renal cancer.  Open Biol. 2012 Aug;2(8):120071. doi: 10.1098/rsob.120071. PMID: 22977732 
  48. Bolanos Garcia VM, Wu Q, Ochi T, Chirgadze D, Sibanda L, Blundell TL (2012) Spatial and Temporal Organisation of Multiprotein Assemblies: Achieving Sensitive Control in Information-Rich Cell Regulatory Systems. Philos Trans A Math Phys Eng Sci. 2012 Jun 28;370(1969):3023-39. doi: 10.1098/rsta.2011.0268. PMID: 22615474 
  49. Ochi T, Wu Q, Chirgadze DY, Grossmann JG, Bolanos-Garcia VM, Blundell TL (2012) Structural Insights into the Role of Domain Flexibility in Human DNA Ligase IV. Structure. 2012 Jul 3;20(7):1212-22. doi: 10.1016/j.str.2012.04.012. PMID: 22658747
  50. Bolanos-Garcia V, Nilsson J and Blundell TL (2012) The architecture of the BubR1 tetratricopeptide tandem repeat defines a protein motif underlying mitotic checkpoint-kinetochore communication. BioArchitecture 2:1, 1–5
  51. Bailey D, Carpenter EP, Coker A, Coker S, Read J, Jones AT, Erskine P, Aguilar CF, Badasso M, Toldo L, Rippmann F, Sanz-Aparicio J, Albert A, Blundell TL, Roberts NB, Wood SP and Cooper JB (2012) An analysis of subdomain orientation, conformational change and disorder in relation to crystal packing of aspartic proteinases. Acta Cryst. D68, 541–552
  52. Jubb H, Higueruelo AP, Winter A, Blundell TL (2012) Structural biology and drug discovery for protein–protein interactions Trends Pharmacol Sci. 2012 May;33(5):241-8. doi: 10.1016/ PMID: 22503442
  53. Webb ME, Lobley CM, Soliman F, Kilkenny ML, Smith AG, Blundell TL, Abell C (2012) Structure of Escherichia coli aspartate α-decarboxylase Asn72Ala: probing the role of Asn72 in pyruvoyl cofactor formation. Acta Crystallogr Sect F Struct Biol Cryst Commun 68(Pt 4):414-417 01 Apr 2012
  54. Leung HTA, Ochoa Montaño B, Blundell TL, Vendruscolo M, Wander MontalvãoR (2012) ARABESQUE: A tool for protein structural comparison using differential geometry and knot theory. World Research Journal of Peptide and Protein 1: 1, 33-40.
  55. Lee S, Thebault P, Freschi L, Beaufils S, Blundell TL, Landry CR, Bolanos-Garcia VM, Elowe S (2012) Characterization of Spindle Checkpoint Kinase Mps1 Reveals Domain with Functional and Structural Similarities to Tetratricopeptide Repeat Motifs of Bub1 and BubR1 Checkpoint Kinases. J Biol Chem 287(8):5988-6001 
  56. Surade S, Blundell TL (2012) Structural biology and drug discovery of difficult targets: the limits of ligandability. Chem Biol 19(1): 42-50 
  57. Blundell TL (2011) A short personal history of structural biology and drug discovery.
Nature Structural and Molecular Biology 18(12):1304-1305 
  58. Wu Q, Sibanda BL, Ochi T, Bolanos-Garcia VM, Blundell TL & Chirgadze DY (2012) Spatial and Temporal Organisation of Multiprotein Systems of Cell Regulation and Signalling: What Can We Learn from NHEJ System of Double-Strand Break Repair? Macromolecular Crystallography NATO Science for Peace and Security Series A: Chemistry and Biology, 1-31, DOI: 10.1007/978-94-007-2530-0_1
  59. Bolanos-Garcia VM, Lischetti T, Matak-Vinković D, Cota E, Simpson PJ, Chirgadze DY, Spring DR, Robinson CV, Nilsson J, Blundell TL (2011) Structure of a Blinkin-BUBR1 Complex Reveals an Interaction Crucial for Kinetochore-Mitotic Checkpoint Regulation via an Unanticipated Binding Site. Structure 19(11):1691-1700
  60. Blundell TL, Hendrickson WA (2011) What is 'current opinion' in structural biology? Current Opinion in Structural Biology 21(4):447-449 2011
  61. Abdel-Rahman N, Martinez-Arias A, Blundell TL (2011) Probing the druggability of protein-protein interactions: targeting the Notch1 receptor ankyrin domain using a fragment-based approach. Biochem Soc Trans 39(5):1327-1333 
  62. Wu Q, Ochi T, Matak-Vinkovic D, Robinson CV, Chirgadze DY, Blundell TL (2011) Non-homologous end-joining partners in a helical dance: structural studies of XLF-XRCC4 interactions. Biochem Soc Trans. 2011 Oct;39(5):1387-92, suppl 2 p following 1392. doi: 10.1042/BST0391387.PMID: 21936820
  63. Worth CL, Preissner R & Blundell TL (2011) SDM—a server for predicting effects of mutations on protein stability and malfunction. Nucleic Acids Research 39(Web Server issue):W215-W222
  64. Bickerton GR, Higueruelo AP, Blundell TL (2011) Comprehensive, atomic-level characterization of structurally characterized protein-protein interactions: the PICCOLO database. BMC Bioinformatics 12:313 2011
  65. Dias MVB, Snee WC, Bromfield KM, Payne R, Palaninathan SK, Ciulli A, Howard NI, Abell C, Sacchettini JC, Blundell TL. (2011) Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem J 436(3):729-739.
  66. Gong S, Worth CL, Cheng TM, Blundell TL (2011) Meet Me Halfway: When Genomics Meets Structural Bioinformatics. J Cardiovasc Transl Res 4(3):281-303 2011
  67. Bolanos-Garcia, V.M. and Blundell T.L. BUB1 and BUBR1: Multifaceted Kinases of the Cell Cycle. Trends in Biochemical Sciences (2011) Trends in Biochemical Sciences  36, 141-150
  68. Dias MV, Huang F, Chirgadze DY, Tosin M, Spiteller D, Dry EF, Leadlay PF, Spencer JB, Blundell TL (2010) Structural Basis for the Activity and Substrate Specificity of Fluoroacetyl-CoA Thioesterase FlK. J Biol Chem 285(29):22495-22504 
  69. Ochi T, Sibanda BL, Wu Q, Chirgadze DY, Bolanos-Garcia VM, Blundell TL (2010) Structural Biology of DNA Repair: Spatial Organisation of the Multicomponent Complexes of Nonhomologous End Joining. Journal of Nucleic Acids 1-19. doi:10.4061/2010/621695
  70. Roya RS, Sonia S, Harfouche R, Vasudevanc PR, Holmes O, de Jonge H, Rowe A, Paraskara A, Hentschela DM, Chirgadze D, Blundell TL, Gherardi E, Mashelka RA, and Sengupta S (2010) Coupling growth-factor engineering with nanotechnology for therapeutic angiogenesis. PNAS 107(31):13608-13613
  71. Worth CL, Blundell TL. (2010) On the evolutionary conservation of hydrogen bonds made by buried polar amino acids: the hidden joists, braces and trusses of protein architecture. BMC Evol Biol. 2010 May 31;10(1):161. [Epub ahead of print] PMID: 20513243 [PubMed - as supplied by publisher]
  72. Murray CW, Blundell TL.(2010) Structural biology in fragment-based drug design. PMID: 20471246 Current Opinion in Structural Biology 2010, 20:497–507
  73. Sledz P, Silvestre HL, Hung AW, Ciulli A, Blundell TL, Abell C. (2010) Optimization of the interligand overhauser effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase. (2010) J Am Chem Soc. 2010 A