1. Macromolecular Crystallography: Institute elective

2. Bioinformatics: M.Sc. & B.Tech. (Biotechnology)

3. Structural Biology: B.Tech. (Biotechnology)

4. Structure based drug design: B.Tech. (Biotechnology)

5. protein crystallography: B.Tech. (Biotechnology)

Publication list (*Corresponding author).

2022

Mahto JK, Neetu N, Sharma M, Dubey M, Vellanki BP, Kumar P*. Structural Insights into Dihydroxylation of Terephthalate, a Product of Polyethylene Terephthalate Degradation. J Bacteriol. 2022 Mar 15;204(3):e0054321. doi: 10.1128/JB.00543-21. Epub 2022 Jan 10. PMID: 35007143; PMCID: PMC8923216.

Pareek A, Kumar R, Mudgal R, Neetu N, Sharma M, Kumar P, Tomar S. Alphavirus antivirals targeting RNA-dependent RNA polymerase domain of nsP4 divulged using surface plasmon resonance. FEBS J. 2022 Feb 14. doi: 10.1111/febs.16397. Epub ahead of print. PMID: 35156752.

Mahto JK, Sharma M, Neetu N, Kayastha A, Aggarwal S, Kumar P.* Conformational flexibility enables catalysis of phthalate cis-4,5-dihydrodiol dehydrogenase. Arch Biochem Biophys. 2022 Jun 3;727:109314. doi: 10.1016/j.abb.2022.109314. Epub ahead of print. PMID: 35667443.

2021

Mahto, J. K., Neetu, N., Waghmode, B., Kuatsjah, E., Sharma, M., Sircar, D., Sharma, A. K., Tomar, S., Eltis, L. D., & Kumar, P*. (2021). Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni. The Journal of biological chemistry,297(6), 101416. 

Neetu N, Katiki M, Mahto JK, Sharma M, Narayanan A, Maity S, Tomar S, Ambatipudi K, Sharma AK, Yernool D, Kumar P*. Deciphering the enigma of missing DNA binding domain of LacI family transcription factors. Arch Biochem Biophys. 2021 Nov 30;713:109060. doi: 10.1016/j.abb.2021.109060. Epub 2021 Oct 16. PMID: 34666048.

Dalal V, Dhankhar P, Singh V, Singh V, Rakhaminov G, Golemi-Kotra D, Kumar P*. Structure-Based Identification of Potential Drugs Against FmtA of Staphylococcus aureus: Virtual Screening, Molecular Dynamics, MM-GBSA, and QM/MM. Protein J. 2021 Apr;40(2):148-165. doi: 10.1007/s10930-020-09953-6. Epub 2021 Jan 9. PMID: 33421024.

Choudhary S, Neetu N, Singh VA, et al. Chikungunya virus titration, detection and diagnosis using N-Acetylglucosamine (GlcNAc) specific lectin based virus capture assay. Virus Research. 2021. Sep;302:198493. DOI: 10.1016/j.virusres.2021.198493. PMID: 34175343.

Kumar KA, Sharma M, Dalal V, Singh V, Tomar S, Kumar P.* Multifunctional inhibitors of SARS-CoV-2 by MM/PBSA, essential dynamics, and molecular dynamic investigations. J Mol Graph Model. 2021 Sep;107:107969. doi: 10.1016/j.jmgm.2021.107969. Epub 2021 Jun 17. PMID: 34237666; PMCID: PMC8220440.

Sharma M, Mahto JK, Dhaka P, Neetu N, Tomar S, Kumar P*. MD simulation and MM/PBSA identifies phytochemicals as bifunctional inhibitors of SARS-CoV-2. J Biomol Struct Dyn. 2021 Aug 27:1-14. doi: 10.1080/07391102.2021.1969285. Epub ahead of print. PMID: 34448684.

Gupta DN, Dalal V, Savita BK, Dhankhar P, Ghosh DK, Kumar P*, Sharma AK. In-silico screening and identification of potential inhibitors against 2Cys peroxiredoxin of Candidatus Liberibacter asiaticus. J Biomol Struct Dyn. 2021 May 3:1-15. doi: 10.1080/07391102.2021.1916597. Epub ahead of print. PMID: 33939584.

Gunjan Saini, Vikram Dalal, Deena Nath Gupta, Nidhi Sharma, Pravindra Kumar* & Ashwani Kumar Sharma (2021) A molecular docking and dynamic approach to screen inhibitors against ZnuA1 of Candidatus Liberibacter asiaticus, Molecular Simulation, 47:6, 510-525, DOI: 10.1080/08927022.2021.1888948

Kumar KA, Sharma M, Dalal V, Singh V, Tomar S, Kumar P*. Multifunctional inhibitors of SARS-CoV-2 by MM/PBSA, essential dynamics, and molecular dynamic investigations. J Mol Graph Model. 2021 Sep;107:107969. doi: 10.1016/j.jmgm.2021.107969. Epub 2021 Jun 17. PMID: 34237666; PMCID: PMC8220440.

2020

Dhankhar P, Dalal V, Mahto JK, Gurjar BR, Tomar S, Sharma AK, Kumar P*. (2020) Characterization of dye-decolorizing peroxidase from Bacillus subtilis. Archives of Biochemistry and Biophysics. 2020 Oct 30;693:108590. doi: 10.1016/j.abb.2020.108590. Epub 2020 Sep 21. PMID: 32971035.

 Neetu N, Sharma M, Mahto JK, Kumar P*. (2020). Biophysical and In-Silico Studies of Phytochemicals Targeting Chorismate Synthase from Drug-Resistant Moraxella Catarrhalis. The Protein Journal. 2020 Oct 10:1-2. doi: 10.1007/s10930-020-09923-y. Epub 2020 Oct 10. PMID: 33037984.

Dhankhar P, Dalal V, Singh V, Tomar S, Kumar P*. (2020). Computational guided identification of novel potent inhibitors of N-terminal domain of nucleocapsid protein of severe acute respiratory syndrome coronavirus 2. Journal of Biomolecular Structure and Dynamics. 2020 Nov 23:1-6. doi: 10.1080/07391102.2020.1852968. PMID: 33251943.

Dhankhar P, Dalal V, Kotra DG, Kumar P*. (2020). In-silico approach to identify novel potent inhibitors against GraR of S. aureus. Front Biosci 2020 Mar 1;25:1337-1360. PMID: 32114436.

Kumar P, Dalal V, Sharma N, Kokane S, Ghosh DK, Kumar P, Sharma AK*. (2020). Characterization of the heavy metal binding properties of periplasmic metal uptake protein CLas-ZnuA2. Metallomics. 2020 Feb 26;12(2):280-289. doi: 10.1039/c9mt00200f. PMID: 31853532.

Kesari P, Pratap S, Dhankhar P, Dalal V, Mishra M, Singh PK, Chauhan H, Kumar P*. (2020). Structural characterization and in-silico analysis of Momordica charantia 7S globulin for stability and ACE inhibition. Sci Rep. 2020 Jan 24;10(1):1160. doi: 10.1038/s41598-020-58138-9. PMID: 31980708; PMCID: PMC6981215.

Kumar P, Dalal V, Kokane A, Singh S, Lonare S, Kaur H, Ghosh DK, Kumar P, Sharma AK*. (2020). Mutation studies and structure-based identification of potential inhibitor molecules against periplasmic amino acid binding protein of Candidatus Liberibacter asiaticus (CLasTcyA). Int J Biol Macromol. 2020 Mar 15;147:1228-1238. doi: 10.1016/j.ijbiomac.2019.09.250. Epub 2019 Nov 15. PMID: 31739071.

Neetu N, Katiki M, Dev A, Gaur S, Tomar S, Kumar P*. (2020). Structural and biochemical analyses reveal that chlorogenic acid inhibits the shikimate pathway. Journal of Bacteriology. 2020 Aug 25;202(18). doi: 10.1128/JB.00248-20. Epub 2020 Aug 25. PMID: 32661075.

Singh N, Dalal V, Kumar P*. (2020). Molecular docking and simulation analysis for elucidation of toxic effects of dicyclohexyl phthalate (DCHP) in glucocorticoid receptor-mediated adipogenesis. Molecular Simulation. 2020 Jan 2;46(1):9-21. doi: 10.1089/107555302317371479.

Kumari N, Dalal V, Kumar P, Rath SN*. (2020). Antagonistic interaction between TTA-A2 and paclitaxel for anti-cancer effects by complex formation with T-type calcium channel. Journal of Biomolecular Structure and Dynamics. 23:1-2. doi: 10.1080/07391102.2020.1839558. PMID: 33103598.

2019

Dalal V, Kumar P, Rakhaminov G, Qamar A, Fan X, Hunter H, Tomar S, Golemi-Kotra D, Kumar P*. (2019). Repurposing an ancient protein core structure: structural studies on FmtA, a novel esterase of staphylococcus aureus. J Mol Biol.;431(17):3107- 3123. doi: 10.1016/j.jmb.2019.06.019. Epub 2019 Jun 28. PMID: 31260692.

 Kaur R, Mudgal R, Jose J, Kumar P, Tomar S*. (2019). Glycan-dependent chikungunya viral infection divulged by antiviral activity of NAG specific chi-like lectin. Virology. 2019 Jan 2;526:91-98. doi: 10.1016/j.virol.2018.10.009. Epub 2018 Oct 25. PMID: 30388630

Saini G, Dalal V, Savita BK, Sharma N, Kumar P, Sharma AK*. (2019). Molecular docking and dynamic approach to virtual screen inhibitors against Esbp of Candidatus Liberibacter asiaticus. J Mol Graph Model. 2019 Nov; 92:329-340. doi:10.1016/j.jmgm.2019.08.012. Epub 2019 Aug 16. PMID: 31446203.

Singh N, Dalal V, Kumar V, Sharma M, Kumar P*. (2019). Characterization of phthalate reductase from Ralstonia eutropha CH34 and in silico study of phthalate dioxygenase and phthalate reductase interaction. J Mol Graph Model. 2019 Nov; 92:329-340. doi: 10.1016/j.jmgm.2019. 08.012. Epub 2019 Aug 16. PMID: 31446203.

Kumar P, Kesari P, Kokane S, Ghosh DK, Kumar P, Sharma AK*. (2019). Crystal structures of a putative periplasmic cystine‐binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding. FEBS J. 286(17):3450-3472. doi: 10.1111/febs.14921. Epub 2019 May 24. PMID: 31063259.

Kumar P, Dalal V, Kokane A, Singh S, Lonare S, Kaur H, Ghosh DK, Kumar P, Sharma AK*. (2019). Mutation studies and structure-based identification of potential inhibitor molecules against periplasmic amino acid binding protein of Candidatus Liberibacter asiaticus (CLasTcyA). Int J Biol Macromol. 147:1228-1238. doi: 10.1016/j.ijbiomac.2019.09.250. Epub 2019 Nov 15. PMID: 31739071.

2018

Kumar V, Sharma A, Pratap S, Kumar, P* (2018). Biochemical and biophysical characterization of 1,4-Naphthoquinone as a dual inhibitor of two key enzymes of type II fatty acid biosynthesis from Moraxella catarrhalis. Biochim Biophys Acta.  Protein and Proteomics 1866(11):1131-1142

 Narwal M, Singh H, Pratap S, Malik A, Kuhn RJ, Kumar, P, Tomar S. (2018). Crystal structure of chikungunya virus nsP2 cysteine protease reveals a putative flexible loop blocking its active site. Int J Biol Macromol. 116:451-462. PubMed PMID: 29730006.

Sharma A, Kumar V, Pratap S, Kumar, P*.(2018). The inhibitory and binding studies of methyl-sulfone hydroxamate based inhibitors against LpxC from drug resistant Moraxella catarrhalis using biophysical, biochemical and in silico approaches. Int J Biol Macromol.  PubMed PMID: 30017978.

Kumar V, Sharma A, Pratap S, Kumar, P*. (2018). Biophysical and in silico interaction studies of aporphine alkaloids with Malonyl-CoA: ACP transacylase (FabD) from drug resistant Moraxella catarrhalis. Biochimie. (2018); 149:18-33. PubMed PMID: 29604333.

Kumar V, Sharma A, Pratap S, Kumar, P*.(2018). Characterization of isoflavonoids as inhibitors of β-hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Moraxella catarrhalis: Kinetics, spectroscopic, thermodynamics and in silico studies. Biochim Biophys Acta. 1862(3):726-744. PubMed PMID: 29092780.

Sharma R, Kesari P, Kumar, P, Tomar S*.(2018). Structure-function insights into chikungunya virus capsid protein: Small molecules targeting capsid hydrophobic pocket. Virology (2018); 515:223-234.

Singh N, Dalal V, Kumar, P*.(2018).  Structure based mimicking of Phthalic acid esters (PAEs) and inhibition of hACMSD, an important enzyme of the tryptophan kynurenine metabolism pathway. Int J Biol Macromol. (2018); 108:214-224.

Kumar V, Sharma A, Pratap S, Kumar, P*. (2018). Characterization of isoflavonoids as inhibitors of β-hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Moraxella catarrhalis: Kinetics, spectroscopic, thermodynamics and in silico studies.     Biochim Biophys Acta. (General Subjects) (2018); 1862(3):726-744.

Sharma A, Kumar V, Chatrath A, Dev A, Prasad R, Sharma AK, Tomar S, Kumar, P* (2018). In vitro metal catalyzed oxidative stress in DAH7PS: Methionine modification leads to structure destabilization and induce amorphous aggregation. Int J Biol Macromol. (2018);106:1089-1106.

2017

Aggarwal M, Kaur R, Saha A, Mudgal R, Yadav R, Dash PK, Parida M, Kumar, P, Tomar S*. (2017). Evaluation of antiviral activity of piperazine against Chikungunya virus targeting hydrophobic pocket of alphavirus capsid protein. Antiviral Res. (2017);146:102-111.

Pratap S, Dev A, Kumar V, Yadav R, Narwal M, Tomar S, Kumar, P*. (2017). Structure of Chorismate Mutase-like Domain of DAHPS from Bacillus subtilis Complexed with Novel Inhibitor Reveals Conformational Plasticity of Active Site. Nature Publishing group Sci Rep. (2017); 25;7(1):6364.

Kumar, P, Kesari P, Dhindwal S, Choudhary AK, Katiki M, Neetu, Verma A, Ambatipudi K, Tomar S, Sharma AK, Mishra G, Kumar, P*. (2017). A novel function for globulin in sequestering plant hormone: Crystal structure of Wrightia tinctoria 11S globulin in complex with auxin. Nature Publishing group Sci Rep. (Nature Publishing Journal) (2017); 7(1):4705.

Singh N, Dalal V, Mahto JK, Kumar, P*. (2017). Biodegradation of phthalic acid esters (PAEs) and in silico structural characterization of mono-2-ethylhexyl phthalate (MEHP) hydrolase on the basis of close structural homolog. J Hazard Mater. (2017); 15;338:11-22.

Kesari P, Neetu, Sharma A, Katiki M, Kumar, P, Gurjar BR, Tomar S, Sharma AK, Kumar, P*. (2017). Structural, Functional and Evolutionary Aspects of Seed Globulins. Protein Pept Lett. (2017); 24(3):267-277.

Sharma A, Kumar, P, Kesari P, Chaudhary N, Katiki M, Mishra M, Singh PK, Gurjar, BR, Sharma AK, Tomar S, Kumar, P*.(2017).            Purification and Characterization of 2S albumin from seeds of Wrightia tinctoria exhibiting Antibacterial and DNase Activity.   Protein Pept Lett. (2017); 24(4):368-378.

Pratap S, Kesari, P, Yadav R, Dev A, Narwal M & Kumar, P*. (2017). Acyl chain preference and inhibitor identification of Moraxella catarrhalis LpxA: Insight through crystal structure and computational studies. Int J Biol Macromol. (2017); 96:759-765.

2016

Dhindwal S, Gomez-Gil L, Neau DB, Pham TT, Sylvestre M, Eltis LD, Bolin JT, Kumar, P*. (2016). The structural basis of the enhanced pollutant-degrading capabilities of an engineered biphenyl dioxygenase. J Bacteriol. (2016); 198(10) 1499-512.

Dhindwal S, Kesari P, Singh H, Kumar, P, Tomar S*. (2016). Conformer and pharmacophore  based identification of peptidomimetic inhibitors of chikungunya virus nsP2 protease.    J Biomol Struct Dyn. (2017); 35(16):3522-3539

Sharma R, Fatma B, Saha A, Bajpai S, Sistla S, Dash PK, Parida M, Kumar, P,Tomar S*. (2016). Inhibition of chikungunya virus by picolinate that targets viral capsid  protein. Virology. (2016); 498:265-276. PubMed PMID: 27614702.

Batra M, Sharma R, Malik A, Dhindwal S, Kumar, P, Tomar S*. (2016).            Crystal structure of pentapeptide-independent chemotaxis receptor methyltransferase (CheR) reveals  idiosyncratic structural determinants for receptor recognition J Struct Biol. (2016); 196(3):364-374

Tomar JS, Narwal M, Kumar, P, Peddinti RK*. (2016). Characterization of substrate binding and enzymatic removal of a 3-methyladenine lesion from genomic DNA with TAG of MDR A. baumannii. Mol Biosyst. (2016); 12(11):3259-3265. PubMed PMID: 27714027.

Mukhi N, Dhindwal S, Uppal S, Kapoor A, Arya R, Kumar, P, Kaur J, Kundu S*. (2016). Structural and Functional Significance of the N- and C-Terminal Appendages in Arabidopsis Truncated Hemoglobin. Biochemistry.(2016); 55(12):1724-40.

2015

Pratap S, Katiki M, Gill P, Kumar, P*, Golemi-Kotra D. (2015). Active-Site Plasticity is Essential to Carbapenem Hydrolysis by OXA-58 Class D β-Lactamase of Acinetobacter baumannii. Antimicrob Agents Chemother. (2015); 60(1):75-86.

Dhindwal S, Priyadarshini P, Patil DN, Tapas S, Kumar, P, Tomar S, Kumar, P*. (2015). Ligand-bound structures of 3-deoxy-D-manno octulosonate 8-phosphate phosphatase from Moraxella catarrhalis reveal a water channel connecting the active site for the second step of catalysis. Acta Crystallogr D Biol Crystallogr. (2015); 71(Pt 2):239-55.

Sharma N, SelvaKumar, P, Bhose S, Ghosh DK, Kumar, P, Sharma AK. (2015). Crystal  structure of a periplasmic solute binding protein in metal-free, intermediate and metal-bound states from Candidatus Liberibacter asiaticus. J Struct Biol. (2015); 189(3):184-9

Aggarwal M, Sharma R, Kumar, P, Parida M, Tomar S. (2015). Kinetic characterization of trans-proteolytic activity of Chikungunya virus capsid protease and development of a FRET-based HTS assay. Nature Publishing group Sci Rep. (2015); 5:14753.

Kesari P, Patil DN, Kumar, P, Tomar S, Sharma AK, Kumar, P*. (2015). Structural and functional evolution of chitinase- like-proteins from plants.  Proteomics. 15(10):1693-705.

2014

SelvaKumar, P, Sharma N, Tomar PP, Kumar, P, Sharma AK(2014). Structural insights into the aggregation behavior of Murraya koenigii miraculin-like protein below pH 7.5. Proteins (2014); 82(5):830-40.

Aggarwal M, Dhindwal S, Kumar, P, Kuhn RJ, Tomar S. (2015). Trans-Protease activity and structural insights into the active form of the alphavirus capsid protease. J Virol. (2014); 88(21):12242-53.

2013

Colbert CL†, Agar NY†, Kumar, P†, Chakko MN, Sinha SC, Powlowski JB, Eltis LD, Bolin JT. (2013) Structural characterization of Pandoraea pnomenusa B-356 biphenyl dioxygenase reveals features of potent polychlorinated biphenyl-degrading enzymes PLoS One. (2013); 8(1):e52550 (†Contributed equally).

2012

Patil, D.N., Chaudhry, A., Sharma, A.K., Tomar, S., Kumar, P*. Structural basis for dual inhibitory role of tamarind Kunitz inhibitor (TKI) against factor Xa and trypsin. FEBS J  (2012); 279(24):4547-64.

Kumar, P, Mohammadi M, Dhindwal S., Bolin JT &Sylvestre M. Structural insights into the metabolism of 2-chlorodibenzofuran by an evolved biphenyl dioxygenase   BBRC (2012);  421(4):757-62.

Kumar, P., Patil, D.N., Chaudhary, A., Tomar, S.,Yernool, D., Singh, N., Dasauni, P.,  Kundu, S., & Kumar, P*., Purification and biophysical characterization of 11S globulin from Wrightia tinctoria exhibiting hemagglutinating activity. Protein & peptide letters (2012); 20(5):499-509.

Preeti, Tapas S, Kumar, P, Madhubala R, Tomar S.       Biochemical, Mutational and In Silico Structural Evidence for Functional Dimeric Form of the Ornithine Decarboxylase from Entamoeba histolytica. PLoSNegl Trop Dis. (2012); 6(2):e1559.

Narayanan A, Paul LN, Tomar S, Patil DN, Kumar, P, Yernool DA. Structure-function studies of DNA binding domain of response regulator KdpE reveals equal affinity interactions at DNA half-sites. PLoS One.(2012); 7(1):e30102.

2011

Patil DN, Datta M, Dev A, Dhindwal S, Singh N, Dasauni P, Kundu S, Sharma AK, Tomar S, Kumar, P*. Structural Investigation of a Novel N-Acetyl Glucosamine Binding Chi-Lectin Which Reveals Evolutionary Relationship with Class III Chitinases. PLoS One. (2013);  23;8(5):e63779.

 Mukhi N, Dhindwal S, Uppal S, Kumar, P, Kaur J, Kundu S. X-Ray crystallographic structural characteristics of Arabidopsis hemoglobin I and their functional implications. Biochim Biophys Acta. (2013); 1834(9):1944-56.

Preeti, Tapas S, Kumar, P, Madhubala R, Tomar S. Structural insight into DFMO resistant ornithine decarboxylase from Entamoeba histolytica: an inkling to adaptive evolution. PLoS One.(2013); 8(1):e53397.

Aggarwal M, Tapas S, Preeti, Siwach A, Kumar, P, Kuhn RJ, Tomar S. Crystal structure of aura virus capsid protease and its complex with dioxane: new insights into capsid-glycoprotein molecular contacts. PLoS One.(2013); 7(12):e51288.

Dhindwal S, Patil DN, Mohammadi M, Sylvestre M, Tomar S, Kumar, P*. Biochemical studies and ligand-bound structures of biphenyl dehydrogenase from Pandoraea pnomenusa strain B-356 reveal a basis for broad specificity of the enzyme. J Biol Chem. (2011); Oct 21;286(42):37011-22.

Mohammadi, M.†, Viger, J.F.,†, Kumar, P.,†, Barriault, D., Bolin, J.T., &Sylvestre, M.. (2011); Fine tuning  Rieske -type oxygenases reactive atoms to expand their substrate range. J. Biol. Chem. (2011); 286(31):27612-35. (†Contributed equally).

Kumar, P., Mohammadi, M., Viger, J.F., Barriault, D., Gomez-Gil, L., Eltis, LD., Bolin J.T. &Sylvestre M.       (2011) Structural Insight into the Expanded PCB-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution. J Mol Biol. (2011); 405(2):531-47.

Aggarwal, M., Dhindwal, S., Pratap, S.,  Kuhn, R.J.,  Kumar, P.,& Tomar, S. (2011) Crystallization, high- resolution data collection and preliminary crystallographic analysis of Aura virus capsid protease and its complex with dioxane.          Acta Cryst. F (2011); 67, 1394-1398.

Bhattacharya, S., & Kumar, P.  (2011) An insilico approach to structural elucidation of 3-deoxy-d arabino-heptulosonate 7-phosphate synthase from Arabidopsis thaliana: Hints for herbicide design. Phytochemistry. (2011); 73(1):7-14.

Tapas, S., Kumar, A., Dhindwal, S., Preeti, Kumar, P*. (2011); Structural analysis of chorismate synthase from Plasmodium falciparum: A novel target for antimalaria drug discovery.     Int J Biol Macromol. (2011); 49(4), 767-77.

Kumar, P*., Gómez-Gil, L., Mohammadi, M., Sylvestre, M., Eltis, L.D. & Bolin, J.T. Anaerobic crystallization and initial X-ray diffraction data of biphenyl 2,3-dioxygenase from Burkholderiaxenovorans LB400: addition of agarose improved the quality of the crystals.  Acta Crystallogr Sect F (2011); 67, 59-62.

2010

Sakshi, Patil, D.N., Tomar, S., Sylvestre, M., & Kumar, P*.       (2010) Expression, purification, crystallization and preliminary crystallographic studies of cis-biphenyl-2,3-dihydrodiol-2,3-dehydrogenase from Pandoraea pnomenusa B-356. Acta Crystallogr Sect F (2010); 66:1517-20.

Gahloth, D., Selvakumar, P., Shee, C., Kumar, P*., Sharma., A.K. (2010) Cloning, sequence analysis and crystal structure determination of a miraculin-like protein from Murraya koenigii.  Arch Biochem Biophys. (2010); 1;494(1):15-22.

2009

Tomar, S., Patil, D.N., Datta, M., Tapas, S., Preeti, Chaudhary, A., Sharma, A.K., Tomar, S., Kumar, P*.(2009)  Crystallization and preliminary X-ray diffraction analysis of the complex of Kunitz-type tamarind trypsin inhibitor and porcine pancreatic trypsin. Acta Crystallogr Sect F (2009); 1;65(Pt 11):1179-81.

Patil, D.N., Datta, M., Chaudhary, A., Tomar, S., Sharma, A.K. & Kumar, P*.      (2009) Isolation, purification, crystallization and preliminary crystallographic studies of chitinase from tamarind (Tamarindus indica) seeds. Acta Crystallogr Sect F (2009); 65(Pt 4):343-5.

Patil, D.N., Preeti, Chaudhry, A., Sharma, A.K., Tomar, S., Kumar, P*.            (2009) Purification, crystallization and preliminary crystallographic studies of a Kunitz-type proteinase inhibitor from tamarind (Tamarindus indica) seeds. Acta Crystallogr Sect F (2009); 65(Pt 7):736-8.

2008

Chaudhary, N.S., Shee, C., Islam, A., Ahmad, F., Yernool, D., Kumar, P. & Sharma, A.K*.      (2009)  Purification and characterization of a trypsin inhibitor from Putranjivaroxburghii seeds. Phytochemistry. (2008); 69(11):2120-6.

2007

Shee, C., Singh, T.P., Kumar, P. & Sharma, A.K. (2007)Crystallization and preliminary X-ray diffraction studies of Murrayakoenigii trypsin inhibitor.           Acta Crystallogr Sect F (2007); 63(Pt 4):318-9.

Post Doctoral Work

Horsman, G.P., Bhowmik, S., Seah, S.Y., Kumar, P., Bolin, J.T. &Eltis, L.D.     (2007) The tautomeric half-reaction of BphD, a C-C bond hydrolase. Kinetic and structural evidence supporting a key role for histidine 265 of the catalytic triad.          J Biol Chem. (2007); 282(27):19894-904.

Gomez-Gil L., Kumar, P., Barriault, D., Bolin, J.T., Sylvestre, M. &Eltis, L.D. Characterization of biphenyl dioxygenase of Pandoraea pnomenusa B-356 as a potent polychlorinated biphenyl-degrading enzyme.            J Bacteriol. (2007); 189(15):5705-1

 PhD work

2004

Dey, S., Vijayaraghavan, R., Goel, V.K., Kumar, S.,  Kumar, P. & Singh, T.P.        Design of a model peptide with a, b-dehydro-residues: Synthesis of Boc-Ile- DAla-OCH3 and its crystal structures obtained from two different solvents. J. Mol.  Struct. (2004); 737 27-3.

2003

Vijayaraghavan, R., Makker, J., Kumar, P.,Dey, S., Singh, T. P.            Crystal structure of Boc-Trp (CHO) - ΔPhe-Ile-ΔPhe-Leu-OCH3,C48H59N6O10. ZeitschriftfuerKristallographie-New Crystal Structures (2003);    218(1), 52-54.

Makker, J., Dey, S., Kumar, P., Singh, T. P.  Crystal structure of Boc-ILe-ΔPhe-Ile-OCH3, C27H43N3O7.            ZeitschriftfuerKristallographie -New Crystal Structures (2003);  218, 179-180.

Vijayaraghavan R., Makker, J., Kumar, P., Dey S., Singh T.P. Design of peptides with a, b -dehydro-residues: syntheses, crystal structures and molecular conformations of two ΔPhe-Trp containing   peptides. Journal of Molecular Structure, (2003); 654(1-3),  103-110.

Makker, J., Dey, S., Mukherjee, S., Vijayaraghavan, R., Kumar, P., Singh, T. P. Design of peptides with  a, b  -dehydro-residues: synthesis, crystal structure and molecular conformation of a tetrapeptide Z-ΔVal-Val-ΔPhe-Ile-Ome. Journal of Molecular Structure,(2003); 654(1-3), 119-124.

Vijayaraghavan R., Kumar, P., Dey S., Singh T.P. Design of peptides with branched beta-carbon dehydro- residues: syntheses, crystal structures and molecular conformations of two peptides, (I) N-Carbobenzoxy-DeltaVal-Ala-Leu-OCH3 and (II) N-Carbobenzoxy-DeltaIle-Ala-Leu-OCH3. J. Pept. Res. (2003); 62(2):63-9.

Mohanty A.K., Singh G., Paramasivam M., Saravanan K., Jabeen T., Sharma S., Yadav S., Kaur P., Kumar, P., Srinivasan A, Singh T.P Crystal structure of a novel regulatory 40-kDa mammary gland protein (MGP-40) secreted during involution. J. Biol. Chem.(2003); 278(16):14451-60.

2002

Makker, J., Dey, S., Mukherjee, S., Kumar, P., Singh, T. P.    Crystal structure of Boc-Leu-ΔPhe-ΔPhe-Ile-OCH3, C36H48N4O7. Zeitschriftfuer Kristallographie-New Crystal Structures (2002); 217(3), 372-374.

Makkar, J., Dey, S., Kumar, P., Singh, T.P.  Crystal structure of Boc-Leu-ΔPhe-Ile-ΔPhe-Ile-OCH3,C42H59N5O8. Zeitschriftfuer Kristallographie - New Crystal Structures (2002); 217(3), 369-371.

Kumar, P., Yadav, S. & Singh, T.P. Crystallization and structure determination of goat lactoferrin at 4.0 Å  resolution: A new form of packing in lactoferrins with a high solvent in crystals. Ind. J. Biochem. Biophys. (2002); 39(1):16-21.

Makkar, J., Dey, S., Kumar, P., Singh, T.P. Design of peptides with alpha, beta-dehydro residues: pseudo-tripeptideN-benzyloxycarbonyl-DeltaLeu-L-Ala-L-Leu-OCH3. Acta Crystallogr C58 (2002); 212-4.

Kumar, P., Khan, J.A., Yadav, S. & Singh, T.P. Crystal structure of equine apolactoferrin at 303 K providing further evidence of closed conformations of N and C lobes. Acta Crystallogr  D58 (2002); 225-32.

2001

Singh, J.D., Milton, M.D., Bhalla, G. Khandelwal, B. L., Kumar, P., Singh, T. P., Butcher, R. J. Design, synthesis and structural aspects of acyclic N3E2 (E = Se or Te) type donors and its complexes with Group 12 metals. Phosphorus, Sulfur and Silicon and the Related  Elements. (2001); (171-172)  477-484.

Milton, M.D., Singh, J. D., Khandelwal, B. L.; Kumar, P., Singh, T. P., Butcher, R. J.    Design, synthesis and  structural aspects of terdentate (N,O,Se/Te) donors and their competitive coordination behavior towards Pt(II). Phosphorus,Sulfur and Silicon and the Related Elements, (2001); (171-172)  485-492.

Tomar, S., Yadav, S., Chandra, V., Kumar, P., Singh, T.P. Purification, crystallization and preliminary X-ray diffraction studies of disintegrin (schistatin) from saw-scaled viper (Echiscarinatus). Acta Crystallogr  D57(2001);1669-70.

Vijayaraghavan, R., Kumar, P., Dey, S., Singh, T.P.      Design of peptides with alpha, beta-dehydro residues: a dipeptide with a branched beta-carbon dehydro residue at the (i+1) position, methyl N - (benzyloxycarbonyl) - alpha, beta - didehydrovalyl - L – tryptophanate. Acta Crystallogr C57 (2001); 1220-1.

Khan, J.A., Kumar, P., Sharma, S., Mohanty, A.K., Jabeen, T., Paramasivam, M., Yadav, S., Srinivasan, A. & Singh, T.P. Mechanism of iron-uptake and iron-release in lactoferrins.    Proc. Ind. Nat. Sc. Acad. B67 (2001);1-17.

Kumar, P., Yadav, S., Srinivasan, A., Bhatia, K.L. & Singh, T.P. A novel 40 kDa protein from goat mammary secretions: purification, crystallization and preliminary X-ray diffraction studies. Acta Crystallagr. D5765; 1332-3.

Sharma, S., Kumar, P., Betzel, C., Singh, T.P.   Structure and function of proteins involved in milk allergies. J Chromatogr B Biomed Sci Appl. (2001); 756(1-2), 183-7.

Khan, J.A., Kumar, P., Paramsivam, M., Yadav, R.S., Sahni, M.S., Sharma, S., Srinivasan, A. & Singh, T.P. Structure of camel apolactoferrin at 2.6Å resolution and structural basis of its dual role as a transferrin-cum-lactoferrin. J. Mol. Biol.  (2001); 309(3), 751-61.

Khan J.A., Kumar, P., Srinivasan, A., Singh, T.P. Protein intermediate trapped by the simultaneous crystallization process. Crystal structure of an iron-saturated intermediate in the Fe3+ binding pathway of camel lactoferrin at 2.7 Å  resolution. J.Biol. Chem.  (2001); 276(39), 36817-23.

Betzel, C., Gourinath, S., Kumar, P., Kaur, P., Perbandt, M., Eschenburg, S. & Singh, T.P. Structure of a serine protease proteinase K from Tritirachium album   Limber at 0.98Å resolution. Biochemistry. (2001); 40(10), 3080-8.

1999

Bhatia, S., Kumar, P., Kaur, P., & Singh, T.P. Design of peptides with a ,b - dehydro-residues: synthesis, and crystal and molecular structure of a 310-helical tetrapeptideBoc-L-Val-D Phe-D Phe-L-Ile-OCH3. J. Pept. Res. (1999); 54, 249-256.