1. LI, S.; BURY, P.S.; HUANG, F.; GUO, J.; SUN, G.; REVA, A.; HUANG, C.; JIAN, X.; LI, Y.; ZHOU, J.; DENG, Z.; LEEPER, F.J.; LEADLAY, P.; DIAS, M.V.B.; SUN, Y. Mechanistic Insights into Dideoxygenation in Gentamicin Biosynthesis. ACS Catalysis, v. 11, p. 12274-12283, 2021.

  2. KRONENBERGER, T.; MONTEIRO FERREIRA, G.; SOUZA, A.D.F.; SANTOS, S.S. POSO, A.; RIBEIRO, J.A.; TAVARES, M.T.; PAVAN, F.R.; TROSSINI, G.H.G; DIAS, M.V.B.; PARISE-FILHO, R. Design, synthesis and biological activity of novel substituted 3-benzoic acid derivatives as MtDHFR inhibitors. Bioorganic & Medicinal Chemistry, v. 28, p. 115600, 2020.

  3. RIBEIRO, J.A; HAMMER, A.J.S.; LIBREROS-ZÚNIGA ; G.A.; CHAVEZ-PACHECO, S.M.; TYRAKIS, P.; OLIVEIRA, G.S.; KIRKMAN, T.; EL BAKALI, J.; ROCCO, S.A.; SFORÇA, M.L.; PARISE-FILHO, R.; COYNE, A.G.; BLUNDELL, T. L.; ABELL, C.; DIAS, M.V.B. Using a fragment-based approach to identify alternative chemical scaffolds targeting dihydrofolate reductase from Mycobacterium tuberculosis. ACS Infectious Diseases, v. 6, p. 2192-2201, 2020.

  4. TORMET-GONZALEZ, G.D.; WILSON, C.; OLIVEIRA, G.S.; SANTOS, J.C.; OLIVEIRA, L.G.; DIAS, M.V.B. An epoxide hydrolase from endophytic shows unique structural features and wide biocatalytic activity. Acta Crystallographica Section D-Structural Biology, v. 76, p. 868-875, 2020.

  5. SILVA, M.T.A.; SILVA, I.R.E.; FAIM, L.M.; BELLINI, N.K.; PEREIRA, M.L.; LIMA, A.L.; JESUS, E.C.L.; COSTA, F. C.; WATANABE, T.F.; PEREIRA, H.; VALENTINI, S.R.; ZANELLI, C.F.; BORGES, J.C.; DIAS, M.V.B.; CUNHA, J.P. C.; MITTRA, B.; ANDREWS, N.W.; THIEMANN, O.H. Trypanosomatid selenophosphate synthetase structure, function and interaction with selenocysteine lyase. PLoS Neglected Tropical Diseases, v. 14, p. e0008091, 2020.

  6. PAIVA, F.C.R.; CHAN, K.; SAMBORSKYY, M.; SILBER, A.M.; LEADLAY, P.F.; DIAS, M.V.B. The crystal structure of AjiA1 reveals a novel structural motion mechanism in the adenylate-forming enzyme family. Acta Crystallographica Section D-Structural Biology, v. 76, p. 1201-1210, 2020. 

  7. ADRIANI, P.P.; PAIVA, F.C.R.; OLIVEIRA, G.S.; LEITE, A.C.; SANCHES, A.S.; ROCHA, A.R.L.; DIAS, M.V.B.; CHAMBERGO, F. Structural and functional characterization of the glutathione peroxidase-like thioredoxin peroxidase from the fungus Trichoderma reesei. International Journal of Biological Macromolecules, v. 167, p. 93-100, 2020.

  8. MENDES, VÍTOR; ACEBRÓN-GARCÍA-DE-EULATE, MARTA ; VERMA, NUPUR; BLASZCZYK, MICHAL; DIAS, MÁRCIO V. B.; Blundell, Tom L. Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate. mBio, v. 10, p. 1, 2019.
  9. LITTLE, RORY ; PAIVA, FERNANDA C. R. ; JENKINS, ROBERT ; HONG, HUI ; SUN, YUHUI ; DEMYDCHUK, YULIYA ; SAMBORSKYY, MARKIYAN ; TOSIN, MANUELA; LEEPER, FINIAN J.; DIAS, MARCIO V. B. ; LEADLAY, PETER F. . Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis. Nature Catalysis, 21045–1054, 2019.
  10. CHAN, DANIEL SHIU-HIN ; HESS, JEANNINE ; SHAW, ELEN ; SPRY, CHRISTINA ; STARLEY, ROBERT ; DAGOSTIN, CLAUDIO ; DIAS, MARCIO VB ; KALE, RAMESH ; MENDES, VITOR ; BLUNDELL, TOM L ; COYNE, ANTHONY G ; Abell, Chris . Structural Insights into Phosphopantothenoylcysteine Synthetase by Native Ion Mobility-Mass Spectrometry. BIOCHEMICAL JOURNAL, v. 476(21):3125-3139, 2019
  11. RIBEIRO, JOÃO AUGUSTO ; CHAVEZ-PACHECO, SAIR MAXIMO ; DE OLIVEIRA, GABRIEL STEPHANI ; SILVA, CATHARINA DOS SANTOS ; GIUDICE, JOÃO HENRIQUE PIMENTA ; LIBREROS-ZÚÑIGA, GERARDO ANDRES ; Dias, Marcio Vinicius Bertacine . Crystal structures of the closed form of dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallographica Section D-Structural Biology, v. 75, p. 682-693, 2019.
  12. De Araújo, N.C.: Bury, P.S.; Tavares, M.T.; Huang, F.; Parise-Filho, R.; Leadlay, P.; Dias, M.V.B. (2019). Crystal Structure of GenD2, an NAD-Dependent Oxidoreductase Involved in the Biosynthesis of Gentamicin. ACS Chemical Biology, 14(5):925-933.
  13. De Oliveria, G.S.; Adriani, P.P.; Ribeiro, J.A., Morisseau, C.; Hammock, B.D., Dias, M.V.B. Chambergo, F.S.  (2019). The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.  International Journal of Biological Macromolecules, 129:653-658. 
  14. Libreros-Zúñiga, G.A.; Silva, C.S.; Ferreira, R.S.; Dias, M.V.B. (2018). Structural basis for the interaction and processing of Beta-lactam antibiotics by L,D-transpeptidase 3 (LdtMt3) from Mycobacterium tuberculosis. ACS Infectious Diseases, ahed of print.
  15. Dias, M.V.B.; Santos, J.C.; Libreros-Zúñiga, G.A.; Ribeiro, J.A.; Chavez-Pacheco,S.M. (2018). Folate biosynthesis pathway: mechanisms and insights into drug design for infectious diseases. Future Medicinal Chemistry, v. 10, p. 935-959.
  16.  Bury, P.S.; Huang, F.; Li, S.; Sun, Y.; Leadlay, P.F.; Dias, M.V.B. (2017). Structural basis of the selectivity of GenN, an Aminoglycoside N-methyltransferase involved in gentamicin biosynthesis. ACS Chemical Biology. v. 12(11), p. 2779-2787.
  17.  Wilson, C.; de Oliveria, G.S.; Adriani, P.P.; Chambergo, F.S. Dias, M.V.B. (2017). Structure of a soluble epoxide hydrolase identified in Trichoderma reesei. Biochimica et Biophysica Acta (BBA) – Proteins and proteomics. v.1865, p. 1039-1045.
  18.  Cardoso, T.P., de Sá, L.A.; Bury, P.D.; Chavez-Pacheco, S.M.; Dias, M.V. (2017). Cloning, expression, purification and biophysical analysis of two putative halogenases from the glycopeptide A47,934 gene cluster of Streptomyces toyocaensis. Protein Expression and  Purification. v. 132, p. 9-18.
  19.  Luhavaya, H.; Dias, M.V.B.; Williams, S.R.; Hong, H.; Oliveira, L.G.; Leadlay, P.F. (2015). Enzymology of pyran ring A formation in salinomycin biosynthesis. Angewandte Chemie International Edition, v. 54(46), p. 13622-13625
  20.  Fala, A.M.; Oliveira, J.F.; Adamoski, D.; Aricetti, J.A.; Dias, M. M.; Dias, M.V.B.; Sforça, M.L.; Lopes de Oliveira, P.S.; Rocco, S.A.; Caldana, C.; Dias, S.M.G.; Ambrosio, A.L.B. (2015). Unsaturated fatty acids as high-affinity ligands of the C-terminal Per-ARNT-Sim domain from the hypoxia-inducible factor 3α. Scientific Reports, v. 6, p. 12698
  21.  Howard, N.I.; Dias, M.V.B.; Peyrot, F.; Chen, L.; Schmidt, M.F.; Blundell, T.L.; Abell, C. (2015). Design and structural analysis of aromatic inhibitors of type II dehydroquinase from Mycobacterium tuberculosis. ChemMedChem, v. 10(1), p. 116-133.
  22.  Dias, M.V.B.; Tyrakis, P.; Domingues, R.R.; Paes Leme, A.F; Blundell, T.L. (2014). Mycobacterium tuberculosis dihydrofolate reductase reveals two conformational states and a possible low-affinity mechanism to antifolate drugs. Structure, v. 22, p. 94-103.
  23.  Faim, L M.; Rosa e Silva, I.; Dias, M V B.; Pereira, H M.; Brandao-Neto, J.; da Silva, T A.; Thiemann, O H. (2013). Crystallization and preliminary X-ray diffraction analysis of selenophosphate synthetases from Trypanosoma brucei and Leishmania major. Acta Crystallographica. Series F, v. 69, p.864-867.
  24.  Schmidt, M F.; Korb, O.; Howard, N I.; Dias, M V B.; Blundell, T L.; Abell, C. (2013) Discovery of Schaeffer’s acid analogues as lead structures of Mycobacterium tuberculosis type II dehydroquinase using rational drug design approach. ChemMedChem, v. 8 (1), p. 54-58.
  25. Dias, M V B.; Snee, W C.; Bromfield, K M.; Payne, R J.; Palininathan, S K.; Ciulli, A.; Howard, N I.; Abell, C.; Sacchettini, J C.; Blundell, T L. (2011). Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochemical Journal, v. 436, p. 729-739.
  26. Dias, M V B.; Huang, F.; Chirgadze, D Y.; Tosin, M.; Spiteller, D.; Dry, E F.; Leadlay, P F.; Spencer, J B.; Blundell, T L. (2010). Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK. Journal of Chemistry Biology, v. 285, p. 22495-22504.
  27. Truman, A W.; Dias, M. V B.; Wu, S.; Blundell, T L.; Huang, F.; Spencer, J B. (2009). Chimeric glycosyltransferases for the generation of hybrid Chemistry & Biology, v. 16, p. 676-685.