Structural and Molecular Biology Laboratory

Researchers at SMBL are involved in deciphering the molecular architecture and intricacies of macromolecules (proteins & nucleic acids) which play crucial role in host immunity, microbial resistance, and pathogenicity as well as mammalian allergenic proteins through X-ray crystallography, structural immunology, protein engineering and biochemistry.

Chaithanya Madhurantakam (Ph.D., IIT- Kharagpur)
Ramalingaswami Fellow (DBT, GoI)
Associate Professor (Department of Biotechnology, TERI SAS)

A structural biologist and a protein biochemist, Dr. Madhurantakam’s research work focuses on structural characterization of proteins through X-ray crystallography. The SMBL group works on projects related to pathogenic proteins of Mycobacterium tuberculosis, Helicobacter pylori, as well as mammalian allergens.

Projects Undertaken

I- Structural Studies on Proteins Involved in Synthesis and Processing of Mycolic Acids in Mycobacterium tuberculosis
Grant: Ramalingaswami Re-entry Fellowship
Funding Agency: Department of Biotechnology (DBT), Govt. Of India

II- Structural characterization of a non- specific acid phosphatase HppA from Helicobacter pylori
Funding Agency: ICMR, Govt. Of India

Research Publications -PUBMED Indexed

1: Chaudhary B, Sisodia R, Sarmadhikari D, Mazumdar PA, Asthana S, Madhurantakam C. In silico analysis and characterization of potential inhibitors of MmaA3, a methoxy mycolic acid synthase from Mycobacterium tuberculosis. J Biomol Struct Dyn. 2024 May 10:1-26. doi: 10.1080/07391102.2024.2349545. Epub ahead of print. PMID: 38726567. IF: 5.23

2: Sisodia R, Sarmadhikari D, Mazumdar PA, Asthana S, Madhurantakam C. Molecular analysis of dUTPase of Helicobacter pylori for identification of novel inhibitors using in silico studies. J Biomol Struct Dyn. 2023 Aug 17:1-26. doi: 10.1080/07391102.2023.2247080. Epub ahead of print. PMID: 37587906. IF: 5.23.

3: Sisodia R, Mazumdar PA, Madhurantakam C. In silico identification and analysis of potential inhibitors for acid phosphatase, HppA from Helicobacter pylori. J Mol Recognit. 2023 Sep36(9):e3049. doi: 10.1002/jmr.3049. Epub 2023 Aug 8. PMID: 37553866. IF: 2.9

4: Suthar S, Das S, Nagpure A, Madhurantakam C, Tiwari SB, Gahlot P, Tyagi VK. Epidemiology and diagnosis, environmental resources quality and socio-economic perspectives for COVID-19 pandemic. J Environ Manage. 2021 Feb 15;280:111700. doi: 10.1016/j.jenvman.2020.111700. Epub 2020 Nov 25. PMID: 33261988; IF: 8.91

5: Duru AD, Sun R, Allerbring EB, Chadderton J, Kadri N, Han X, Peqini K, Uchtenhagen H, Madhurantakam C, Pellegrino S, Sandalova T, Nygren PÅ, Turner SJ, Achour A. Tuning antiviral CD8 T-cell response via proline-altered peptide ligand vaccination. PLoS Pathog. 2020 May 4;16(5):e1008244. doi: 10.1371/journal.ppat.1008244. PMID: 32365082; PMCID: PMC7224568. IF: 7.46

6: Tyagi S, Mazumdar PA, Mayee P, Shivaraj SM, Anand S, Singh A, Madhurantakam C, Sharma P, Das S, Kumar A, Singh A. Natural variation in Brassica FT homeologs influences multiple agronomic traits including flowering time, silique shape, oil profile, stomatal morphology and plant height in B. juncea. Plant Sci. 2018 Dec;277:251-266. doi: 10.1016/j.plantsci.2018.09.018. Epub 2018 Sep 26. PMID: 30466591. IF: 5.36

7: Hansen S, Kiefer JD, Madhurantakam C, Mittl PRE, Plückthun A. Structures of designed armadillo repeat proteins binding to peptides fused to globular domains. Protein Sci. 2017 Oct;26(10):1942-1952. doi: 10.1002/pro.3229. Epub 2017 Jul 25. PMID: 28691351; PMCID: PMC5606530. IF: 6.99

8: Reichen C, Hansen S, Forzani C, Honegger A, Fleishman SJ, Zhou T, Parmeggiani F, Ernst P, Madhurantakam C, Ewald C, Mittl PRE, Zerbe O, Baker D, Caflisch A, Plückthun A. Computationally Designed Armadillo Repeat Proteins for Modular Peptide Recognition. J Mol Biol. 2016 Nov 6;428(22):4467-4489. doi: 10.1016/j.jmb.2016.09.012. Epub 2016 Sep 21. PMID: 27664438. IF: 6.15

9: Reichen C, Madhurantakam C, Hansen S, Grütter MG, Plückthun A, Mittl PR. Structures of designed armadillo-repeat proteins show propagation of inter- repeat interface effects. Acta Crystallogr D Struct Biol. 2016 Jan;72(Pt 1):168-75. doi: 10.1107/S2059798315023116. Epub 2016 Jan 1. PMID: 26894544; PMCID: PMC4756613. IF: 7.65

10: Hansen S, Tremmel D, Madhurantakam C, Reichen C, Mittl PR, Plückthun A. Structure and Energetic Contributions of a Designed Modular Peptide-Binding Protein with Picomolar Affinity. J Am Chem Soc. 2016 Mar 16;138(10):3526-32. doi: 10.1021/jacs.6b00099. Epub 2016 Mar 2. PMID: 26878586. IF: 16.38

11: Reichen C, Madhurantakam C, Plückthun A, Mittl PR. Crystal structures of designed armadillo repeat proteins: implications of construct design and crystallization conditions on overall structure. Protein Sci. 2014 Nov;23(11):1572-83. doi: 10.1002/pro.2535. Epub 2014 Sep 2. PMID: 25132085; PMCID: PMC4241108. IF: 6.99

12: Ravn P, Madhurantakam C, Kunze S, Matthews E, Priest C, O'Brien S, Collinson A, Papworth M, Fritsch-Fredin M, Jermutus L, Benthem L, Gruetter M, Jackson RH. Structural and pharmacological characterization of novel potent and selective monoclonal antibody antagonists of glucose-dependent insulinotropic polypeptide receptor. J Biol Chem. 2013 Jul 5;288(27):19760-72. doi: 10.1074/jbc.M112.426288. IF: 4.23

13: Allerbring EB, Duru AD, Uchtenhagen H, Madhurantakam C, Tomek MB, Grimm S, Mazumdar PA, Friemann R, Uhlin M, Sandalova T, Nygren PÅ, Achour A. Unexpected T-cell recognition of an altered peptide ligand is driven by reversed thermodynamics. Eur J Immunol. 2012 Nov;42(11):2990-3000. doi: 10.1002/eji.201242588. Epub 2012 Sep 20. PMID: 22837158. IF: 6.38

14: Madhurantakam C, Varadamsetty G, Grütter MG, Plückthun A, Mittl PR. Structure-based optimization of designed Armadillo-repeat proteins. Protein Sci. 2012 Jul;21(7):1015-28. doi: 10.1002/pro.2085. Epub 2012 May 24. PMID: 22544642; PMCID: PMC3403439. IF: 6.99

15: Madhurantakam C, Duru AD, Sandalova T, Webb JR, Achour A. Inflammation- associated nitrotyrosination affects TCR recognition through reduced stability and alteration of the molecular surface of the MHC complex. PLoS One. 2012;7(3):e32805. doi: 10.1371/journal.pone.0032805. Epub 2012 Mar 14. PMID: 22431983; PMCID: PMC3303804. IF: 3.75

16: Madhurantakam C, Nilsson OB, Uchtenhagen H, Konradsen J, Saarne T, Högbom E, Sandalova T, Grönlund H, Achour A. Crystal structure of the dog lipocalin allergen Can f 2: implications for cross-reactivity to the cat allergen Fel d 4. J Mol Biol. 2010 Aug 6;401(1):68-83. doi: 10.1016/j.jmb.2010.05.043. Epub 2010 May 26. PMID: 20621650. IF: 6.99

17: Neiers F, Madhurantakam C, Fälker S, Manzano C, Dessen A, Normark S, Henriques-Normark B, Achour A. Two crystal structures of pneumococcal pilus sortase C provide novel insights into catalysis and substrate specificity. J Mol Biol. 2009 Oct 30;393(3):704-16. doi: 10.1016/j.jmb.2009.08.058. Epub 2009 Aug 31. PMID: 19729023. IF: 6.99

18: Uchtenhagen H, Sourial S, Friemann R, Ehnlund M, Spetz AL, Harris RA, Madhurantakam C, Achour A. Production, purification, crystallization and preliminary X-ray diffraction analysis of the HIV-2-neutralizing V3 loop- specific Fab fragment 7C8. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2009 Jul 1;65(Pt 7):705-8. doi: 10.1107/S1744309109020685. Epub 2009 Jun 27. PMID: 19574645; PMCID: PMC2705640. IF: 1.07

19: Madhurantakam C, Nilsson OB, Jönsson K, Grönlund H, Achour A. Production, crystallization and preliminary X-ray diffraction analysis of the allergen Can f 2 from Canis familiaris. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2009 May 1;65(Pt 5):467-71. doi: 10.1107/S1744309109010884. Epub 2009 Apr 24. PMID: 19407378; PMCID: PMC2675586. IF: 1.07

20: Roy S, Aravind P, Madhurantakam C, Ghosh AK, Sankaranarayanan R, Das AK. Crystal structure of a fungal protease inhibitor from Antheraea mylitta. J Struct Biol. 2009 Apr;166(1):79-87. doi: 10.1016/j.jsb.2008.12.010. PMID: 19263521. IF: 3.23

21: Neiers F, Madhurantakam C, Fälker S, Normark S, Henriques-Normark B, Achour A. Cloning, expression, purification, crystallization and preliminary X-ray analysis of the pilus-associated sortase C from Streptococcus pneumoniae. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2009 Jan 1;65(Pt 1):55-8. doi: 10.1107/S1744309108040025. Epub 2008 Dec 25. PMID: 19153457; PMCID: PMC2628848. IF: 1.07

22: Chavali VR, Madhurantakam C, Ghorai S, Roy S, Das AK, Ghosh AK. Genome segment 6 of Antheraea mylitta cypovirus encodes a structural protein with ATPase activity. Virology. 2008 Jul 20;377(1):7-18. doi: 10.1016/j.virol.2008.03.038. Epub 2008 May 16. PMID: 18486179. IF: 3.51

23: Madhurantakam C, Chavali VR, Das AK. Analyzing the catalytic mechanism of MPtpA: a low molecular weight protein tyrosine phosphatase from Mycobacterium tuberculosis through site-directed mutagenesis. Proteins. 2008 May 1;71(2):706-14. doi: 10.1002/prot.21816. PMID: 17975835. IF: 4.08

24: Roy S, Aravind P, Madhurantakam C, Ghosh AK, Sankaranarayanan R, Das AK. Crystallization and preliminary X-ray diffraction analysis of a protease inhibitor from the haemolymph of the Indian tasar silkworm Antheraea mylitta. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2006 Jul 1;62(Pt 7):669-71. doi: 10.1107/S1744309106020719. Epub 2006 Jun 10. PMID: 16820690; PMCID: PMC2242950. IF: 1.07

25: Madhurantakam C, Rajakumara E, Mazumdar PA, Saha B, Mitra D, Wiker HG, Sankaranarayanan R, Das AK. Crystal structure of low-molecular-weight protein tyrosine phosphatase from Mycobacterium tuberculosis at 1.9-A resolution. J Bacteriol. 2005 Mar;187(6):2175-81. doi: 10.1128/JB.187.6.2175-2181.2005. PMID: 15743966; PMCID: PMC1064030. IF: 3.47