PDB_ID PUBMED_CID STRUCTURE TITLE DEPOSITION DATE RELEASE DATE AUTHORS CITATION TITLE JOURNAL YEAR VOLUME FIRST PAGE LAST PAGE 4Q22 Crystal structure of Chitinase D from Serratia proteamaculans in complex with N-acetyl glucosamine at 1.93 Angstrom resolution 2014-04-05 2014-04-23 Kushwaha, G.S.,Madhuprakash, J.,Singh, A.,Bhushan, A.,Sinha, M.,Kaur, P.,Sharma, S.,Podile, A.R.,Singh, T.P. Crystal structure of Chitinase D from Serratia proteamaculans in complex with N-acetyl glucosamine at 1.93 Angstrom resolution To be Published 0 0 0 0 4R60 Crystal Structure of Xaa-Pro dipeptidase from Xanthomonas campestris 2014-08-22 2014-09-17 Kumar, A.,Ghosh, B.,Are, V.N.,Jamdar, S.N.,Makde, R.D.,Sharma, S.M. Crystal Structure of Xaa-Pro dipeptidase from Xanthomonas campestris to be published 0 0 0 0 4QG5 Crystal structure of phosphoglucomutase from Leishmania major at 3.5 angstrom resolution 2014-05-22 2015-05-27 Waugh, B.,Sen, U.,Banerjee, R. Crystal structure of phosphoglucomutase from Leishmania major at 3.5 angstrom resolution To be Published 0 0 0 0 4WRZ 26143923 Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (AB), Form I 2014-10-25 2015-07-15 Arif, S.M.,Geethanandan, K.,Mishra, P.,Surolia, A.,Varshney, U.,Vijayan, M. Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D 2015 71 1514 1527 4WS2 26143923 Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 6-aminouracil, Form I 2014-10-25 2015-07-15 Arif, S.M.,Geethanandan, K.,Mishra, P.,Surolia, A.,Varshney, U.,Vijayan, M. Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D 2015 71 1514 1527 4WS3 26143923 Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 6-aminouracil, Form IV 2014-10-25 2015-07-15 Arif, S.M.,Geethanandan, K.,Mishra, P.,Surolia, A.,Varshney, U.,Vijayan, M. Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D 2015 71 1514 1527 4WS4 26143923 Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-nitrouracil, Form I 2014-10-25 2015-07-15 Arif, S.M.,Geethanandan, K.,Mishra, P.,Surolia, A.,Varshney, U.,Vijayan, M. Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D 2015 71 1514 1527 4WS6 26143923 Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-aminouracil, Form I 2014-10-25 2015-07-15 Arif, S.M.,Geethanandan, K.,Mishra, P.,Surolia, A.,Varshney, U.,Vijayan, M. Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D 2015 71 1514 1527 4R42 26826576 Crystal structure of KatB, a manganese catalase from Anabaena PCC7120 2014-08-19 2015-08-19 Bihani, S.C.,Chakravarty, D.,Ballal, A. KatB, a cyanobacterial Mn-catalase with unique active site configuration: Implications for enzyme function. Free Radic. Biol. Med. 2016 93 118 129 4WL2 26707624 Structure of penicillin V acylase from Pectobacterium atrosepticum 2014-10-06 2015-10-07 Avinash, V.S.,Panigrahi, P.,Chand, D.,Pundle, A.,Suresh, C.G.,Ramasamy, S. Structural analysis of a penicillin V acylase from Pectobacterium atrosepticum confirms the importance of two Trp residues for activity and specificity J.Struct.Biol. 2016 193 85 94 4WL3 Crystal structure determination of Bile Salt Hydrolase from Enterococcus feacalis 2014-10-06 2015-11-11 Chand, D.,Suresh, C.G.,Ramasamy, S. Crystal structure determination of Bile Salt Hydrolase from Enterococcus feacalis To Be Published 0 0 0 0 3X1J 27041211 Crystal Structure of Phosphopantetheine adenylyltransferase (PPAT/CoaD) with AcCoA from Pseudomonas aeruginosa 2014-11-19 2015-11-25 Chatterjee, R.,Mondal, A.,Basu, A.,Datta, S. Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa Biochim.Biophys.Acta 2016 1864 773 786 3X1K 27041211 crystal structure of Phosphoapantetheine adenylyltransferase PPAT/CoaD with AMP-PNP from Pseudomonas aerugonosa 2014-11-20 2015-11-25 Chatterjee, R.,Mondal, A.,Basu, A.,Datta, S. Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa Biochim.Biophys.Acta 2016 1864 773 786 3X1M 27041211 Crystal structure of Phosphopantetheine adenylyltransferase/PPAT from Pseudomonas aeruginosa with CoA 2014-11-24 2015-11-25 Chatterjee, R.,Mondal, A.,Basu, A.,Datta, S. Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa Biochim.Biophys.Acta 2016 1864 773 786 4RUK 27041211 crystal structure of Phosphoapantetheine adenylyltransferase PPAT/CoaD with CoA and pyrophosphate from Pseudomonas aeruginosa 2014-11-20 2015-11-25 Chatterjee, R.,Mondal, A.,Basu, A.,Datta, S. Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa Biochim.Biophys.Acta 2016 1864 773 786 5EMH 29944733 Crystal structure of Iridoid Synthase from Cantharanthus roseus in complex with NADP+ 2015-11-06 2015-11-25 Sandholu, A.S.,Mohole, M.,Duax, W.L.,Thulasiram, H.V.,Sengupta, D.,Kulkarni, K. Dynamics of loops at the substrate entry channel determine the specificity of iridoid synthases. FEBS Lett. 2018 592 2624 2635 5CE6 26995613 N-terminal domain of FACT complex subunit SPT16 from Cicer arietinum (chickpea) 2015-07-06 2016-04-13 Are, V.N.,Ghosh, B.,Kumar, A.,Gadre, R.,Makde, R.D. Crystal structure and dynamics of Spt16N-domain of FACT complex from Cicer arietinum. Int.J.Biol.Macromol. 2016 88 36 43 5AQD 27068646 Crystal structure of Phormidium Phycoerythrin at pH 8.5 2015-09-22 2016-06-29 Kumar, V.,Sonani, R.R.,Sharma, M.,Gupta, G.D.,Madamwar, D. Crystal Structure Analysis of C-Phycoerythrin from Marine Cyanobacterium Phormidium Sp. A09Dm. Photosynth.Res. 2016 129 17 0 5C82 Crystal structure of Nourseothricin acetyltransferase 2015-06-25 2016-06-29 Kumar, D.,Ghosh, A.,Taneja, B.,Chakraborty, K. Crystal structure of Nourseothricin acetyltransferase To Be Published 0 0 0 0 5FVB 27068646 CRYSTAL STRUCTURE OF PHORMIDIUM C-PHYCOERYTHRIN AT PH 5.0 2016-02-05 2016-06-29 Kumar, V.,Sonani, R.R.,Sharma, M.,Gupta, G.D.,Madamwar, D. Crystal Structure Analysis of C-Phycoerythrin from Marine Cyanobacterium Phormidium Sp. A09Dm. Photosynth.Res. 2016 129 17 0 5CIK Crystal Structure of Xaa-Pro dipeptidase from Xanthomonas campestris in citrate condition 2015-07-13 2016-07-20 Kumar, A.,Are, V.,Ghosh, B.,Agrawal, U.,Jamdar, S.,Makde, R.D. Crystal Structure of Xaa-Pro dipeptidase from Xanthomonas campestris in citrate condition To Be Published 0 0 0 0 5CNW 28899103 Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans 2015-07-18 2016-07-20 Bihani, S.C.,Panicker, L.,Rajpurohit, Y.S.,Misra, H.S.,Kumar, V. drFrnE Represents a Hitherto Unknown Class of Eubacterial Cytoplasmic Disulfide Oxido-Reductases. Antioxid. Redox Signal. 2018 28 296 310 5CNX 30536999 Crystal structure of Xaa-Pro aminopeptidase from Escherichia coli K12 2015-07-18 2016-07-20 Are, V.N.,Kumar, A.,Goyal, V.D.,Gotad, S.S.,Ghosh, B.,Gadre, R.,Jamdar, S.N.,Makde, R.D. Structures and activities of widely conserved small prokaryotic aminopeptidases-P clarify classification of M24B peptidases Proteins 2018 0 0 0 5CO3 28899103 Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in presence of DTT 2015-07-19 2016-07-20 Bihani, S.C.,Panicker, L.,Rajpurohit, Y.S.,Misra, H.S.,Kumar, V. drFrnE Represents a Hitherto Unknown Class of Eubacterial Cytoplasmic Disulfide Oxido-Reductases. Antioxid. Redox Signal. 2018 28 296 310 5CP1 Crystal structure of C239S mutant of a novel disulfide oxidoreductase from Deinococcus radiodurans 2015-07-21 2016-07-20 Bihani, S.C.,Panicker, L.,Kumar, V.,Misra, H.S.,Rajpurohit, Y.S. Crystal structure of a novel disulfide oxidoreductase from Deinococcus radiodurans To Be Published 0 0 0 0 5IQZ 27287224 Crystal structure of N-terminal domain of Human SIRT7 2016-03-11 2016-07-27 Priyanka, A.,Solanki, V.,Parkesh, R.,Thakur, K.G. Crystal structure of the N-terminal domain of human SIRT7 reveals a three-helical domain architecture Proteins 2016 84 1558 1563 5CDL Proline dipeptidase from Deinococcus radiodurans (selenomethionine derivative) 2015-07-04 2016-08-10 Kumar, A.,Are, V.,Ghosh, B.,Jamdar, S.,Makde, R. Proline dipeptidase from Deinococcus radiodurans (selenomethionine derivative) To Be Published 0 0 0 0 5CDV Proline dipeptidase from Deinococcus radiodurans R1 2015-07-05 2016-08-10 Kumar, A.,Are, V.,Ghosh, B.,Jamdar, S.,Makde, R. Proline dipeptidase from Deinococcus radiodurans R1 at 1.45 Angstrom resolution To Be Published 0 0 0 0 5CDE R372A mutant of Xaa-Pro dipeptidase from Xanthomonas campestris 2015-07-03 2016-09-14 Kumar, A.,Are, V.,Ghosh, B.,Jamdar, S.,Makde, R. R372A mutant of Xaa-Pro dipeptidase from Xanthomonas campestris at 1.85 Angstrom resolution To Be Published 0 0 0 0 5FCF 27816563 Crystal Structure of Xaa-Pro dipeptidase from Xanthomonas campestris, phosphate and Mn bound 2015-12-15 2016-12-07 Are, V.N.,Kumar, A.,Kumar, S.,Goyal, V.D.,Ghosh, B.,Bhatnagar, D.,Jamdar, S.N.,Makde, R.D. Crystal structure and biochemical investigations reveal novel mode of substrate selectivity and illuminate substrate inhibition and allostericity in a subfamily of Xaa-Pro dipeptidases. Biochim. Biophys. Acta 2017 1865 153 164 5FCH 27816563 Crystal Structure of Xaa-Pro dipeptidase from Xanthomonas campestris, phosphate and Zn bound 2015-12-15 2016-12-07 Are, V.N.,Kumar, A.,Kumar, S.,Goyal, V.D.,Ghosh, B.,Bhatnagar, D.,Jamdar, S.N.,Makde, R.D. Crystal structure and biochemical investigations reveal novel mode of substrate selectivity and illuminate substrate inhibition and allostericity in a subfamily of Xaa-Pro dipeptidases Biochim. Biophys. Acta 2017 1865 153 164 5GGX Crystal Structure of Fe3+ - Desferal bound siderophore binding protein FhuD from Vibrio cholerae 2016-06-16 2017-02-22 Agarwal, S.,Biswas, M.,Dasgupta, J. Crystal Structure of Fe3+ - Desferal bound siderophore binding protein FhuD from Vibrio cholerae To be published 0 0 0 0 5GGY X-ray crystal structure of Periplasmic Desferal binding protein FhuD from Vibrio cholerae 2016-06-16 2017-02-22 Agarwal, S.,Biswas, M.,Dasgupta, J. X-ray crystal structure of Periplasmic Desferal binding protein FhuD from Vibrio cholerae To be published 0 0 0 0 5KHL Crystal Structure of periplasmic Heme binding protein HutB of Vibrio cholerae 2016-06-15 2017-02-22 Agarwal, S.,Biswas, M.,Dasgupta, J. Crystal Structure of periplasmic Heme binding protein HutB of Vibrio cholerae To be published 0 0 0 0 5GUI 28287170 Crystal structure of the N-terminal Domain of Caseinolytic protease associated chaperone ClpC1 from Arabidopsis thaliana 2016-08-29 2017-03-22 Mohapatra, C.,Kumar Jagdev, M.,Vasudevan, D. Crystal structures reveal N-terminal Domain of Arabidopsis thaliana ClpD to be highly divergent from that of ClpC1. Sci Rep 2017 7 44366 44366 5X49 28476889 Crystal Structure of Human mitochondrial X-prolyl Aminopeptidase (XPNPEP3) 2017-02-10 2017-05-17 Singh, R.,Jamdar, S.N.,Goyal, V.D.,Kumar, A.,Ghosh, B.,Makde, R.D. Structure of the human aminopeptidase XPNPEP3 and comparison of its in vitro activity with Icp55 orthologs: Insights into diverse cellular processes. J. Biol. Chem. 2017 292 10035 10047 5GIQ 30536999 Xaa-Pro peptidase from Deinococcus radiodurans, Zinc bound 2016-06-24 2017-06-28 Are, V.N.,Kumar, A.,Goyal, V.D.,Gotad, S.S.,Ghosh, B.,Gadre, R.,Jamdar, S.N.,Makde, R.D. Structures and activities of widely conserved small prokaryotic aminopeptidases-P clarify classification of M24B peptidases. Proteins 2018 0 0 0 5GIU Crystal structure of Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site 2016-06-25 2017-06-28 Are, V.N.,Kumar, A.,Singh, R.,Ghosh, B.,Jamdar, S.N.,Makde, R.D. Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site To Be Published 0 0 0 0 5GIV 28844748 Crystal structure of M32 carboxypeptidase from Deinococcus radiodurans R1 2016-06-25 2017-07-12 Sharma, B.,Jamdar, S.N.,Ghosh, B.,Yadav, P.,Kumar, A.,Kundu, S.,Goyal, V.D.,Makde, R.D. Active site gate of M32 carboxypeptidases illuminated by crystal structure and molecular dynamics simulations Biochim. Biophys. Acta 2017 1865 1406 1415 5XHE 28696179 Crystal structure analysis of the second bromodomain of BRD2 covalently linked to b-mercaptoethanol 2017-04-20 2017-09-06 Mathur, S.,Deshmukh, P.,Tripathi, S.,Marimuthu, P.,Padmanabhan, B. Insights into the crystal structure of BRD2-BD2 - phenanthridinone complex and theoretical studies on phenanthridinone analogs. J. Biomol. Struct. Dyn. 2018 36 2342 2360 5XEV 28929533 Crystal Structure of a novel Xaa-Pro dipeptidase from Deinococcus radiodurans 2017-04-06 2017-10-18 Are, V.N.,Jamdar, S.N.,Ghosh, B.,Goyal, V.D.,Kumar, A.,Neema, S.,Gadre, R.,Makde, R.D. Crystal structure of a novel prolidase from Deinococcus radiodurans identifies new subfamily of bacterial prolidases. Proteins 2017 85 2239 2251 5WZ4 28986943 Crystal structure of Mycobacterium tuberculosis VapC20 (Rv2549c), Sarcin-Ricin loop cleaving toxin 2017-01-17 2017-10-25 Deep, A.,Kaundal, S.,Agarwal, S.,Singh, R.,Thakur, K.G. Crystal structure of Mycobacterium tuberculosis VapC20 toxin and its interactions with cognate antitoxin, VapB20, suggest a model for toxin-antitoxin assembly. FEBS J. 2017 284 4066 4082 5Z81 Trimeric structure of Vibrio cholerae Heat Shock Protein 15 at 2.3 Angstrom resolution 2018-01-30 2018-03-07 Roy Chowdhury, S.,Sen, U. Trimeric structure of Vibrio cholerae Heat Shock Protein 15 at 2.3 Angstrom resolution To Be Published 0 0 0 0 5XW8 29486250 Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH 7 2017-06-29 2018-03-28 Saikhedkar, N.S.,Joshi, R.S.,Bhoite, A.S.,Mohandasan, R.,Yadav, A.K.,Fernandes, M.,Kulkarni, K.A.,Giri, A.P. Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol. 2018 95 17 25 5XW9 29486250 Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 7 2017-06-29 2018-03-28 Saikhedkar, N.S.,Joshi, R.S.,Bhoite, A.S.,Mohandasan, R.,Yadav, A.K.,Fernandes, M.,Kulkarni, K.A.,Giri, A.P. Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol. 2018 95 17 25 5XWA 29486250 Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 10 2017-06-29 2018-03-28 Saikhedkar, N.S.,Joshi, R.S.,Bhoite, A.S.,Mohandasan, R.,Yadav, A.K.,Fernandes, M.,Kulkarni, K.A.,Giri, A.P. Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol. 2018 95 17 25 5XWJ 29486250 Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 7 2017-06-29 2018-03-28 Saikhedkar, N.S.,Joshi, R.S.,Bhoite, A.S.,Mohandasan, R.,Yadav, A.K.,Fernandes, M.,Kulkarni, K.A.,Giri, A.P. Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol. 2018 95 17 25 5XWL 29486250 Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 10 2017-06-29 2018-03-28 Saikhedkar, N.S.,Joshi, R.S.,Bhoite, A.S.,Mohandasan, R.,Yadav, A.K.,Fernandes, M.,Kulkarni, K.A.,Giri, A.P. Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol. 2018 95 17 25 5XNW 29859257 Crystal structure of ExoY, a unique nucleotidyl cyclase toxin from Pseudomonas aeruginosa 2017-05-24 2018-05-30 Khanppnavar, B.,Datta, S. Crystal structure and substrate specificity of ExoY, a unique T3SS mediated secreted nucleotidyl cyclase toxin from Pseudomonas aeruginosa Biochim. Biophys. Acta 2018 1862 2090 2103 5XTY 29096167 Crystal Structure of 11S allergen from Cocos nucifera L. 2017-06-21 2018-06-06 Vajravijayan, S.,Nandhagopal, N.,Gunasekaran, K. Crystal structure determination and analysis of 11S coconut allergen: Cocosin Mol. Immunol. 2017 92 132 135 5YWR 29626159 Crystal Structure of RING E3 ligase ZNRF1 in complex with Ube2N (Ubc13) 2017-11-30 2018-06-06 Behera, A.P.,Naskar, P.,Agarwal, S.,Banka, P.A.,Poddar, A.,Datta, A.B. Structural insights into the nanomolar affinity of RING E3 ligase ZNRF1 for Ube2N and its functional implications. Biochem. J. 2018 475 1569 1582 5XOZ 30052127 Crystal structure of a Kunitz type trypsin inhibitor from Cicer arietinumL 2017-05-31 2018-06-20 Bendre, A.D.,Suresh, C.G.,Shanmugam, D.,Ramasamy, S. Structural insights into the unique inhibitory mechanism of Kunitz type trypsin inhibitor from Cicer arietinum L. J.Biomol.Struct.Dyn. 2019 37 2669 2677 5XW1 Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH10 2017-06-28 2018-07-04 Joshi, R.S.,Saikhedkar, N.S.,Bhoite, A.S.,Mohandasan, R.,Yadav, A.K.,Fernandes, M.,Kulkarni, K.A.,Giri, A.P. Reactive centre loop peptides devoid of potato protease inhibitor-II protein scaffold inhibit serine proteases To Be Published 0 0 0 0 5XWH Structure of FrnE, a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in the presence of GSH 2017-06-29 2018-07-04 Bihani, S.C.,Panicker, L.,Kumar, V. Structure of FrnE, a novel disulfide oxidoreductase from Deinococcus radiodurans crystallized in the presence of GSH To Be Published 0 0 0 0 5WYN 30068699 HtrA2 Pathogenic Mutant 2017-01-13 2018-08-08 Wagh, A.R.,Bose, K. Structural basis of inactivation of human counterpart of mouse motor neuron degeneration 2 mutant in serine protease HtrA2 Biosci. Rep. 2018 38 0 0 6A8M 34971347 N-terminal domain of FACT complex subunit SPT16 from Eremothecium gossypii (Ashbya gossypii) 2018-07-09 2018-08-15 Gaur, N.K.,Ghosh, B.,Goyal, V.D.,Kulkarni, K.,Makde, R.D. Evolutionary conservation of protein dynamics: insights from all-atom molecular dynamics simulations of 'peptidase' domain of Spt16. J.Biomol.Struct.Dyn. 2021 0 1 13 5YSC 30463026 Crystal Structure of periplasmic Vitamin B12 binding protein BtuF of Vibrio cholerae 2017-11-13 2018-09-19 Agarwal, S.,Dey, S.,Ghosh, B.,Biswas, M.,Dasgupta, J. Mechanistic basis of vitamin B12 and cobinamide salvaging by the Vibrio species. Biochim Biophys Acta Proteins 2019 1867 140 151 5Z3M 30447286 Crystal structure of Low Molecular Weight Phosphotyrosine phosphatase (VcLMWPTP-2) from Vibrio choleraeO395 2018-01-08 2018-09-19 Chatterjee, S.,Nath, S.,Ghosh, B.,Sen, U. Vibrio cholerae LMWPTP-2 display unique surface charge and grooves around the active site: Indicative of distinctive substrate specificity and scope to design specific inhibitor. Biochim Biophys Acta Proteins 2019 1867 114 124 6A4R 30194851 Crystal structure of aspartate bound peptidase E from Salmonella enterica 2018-06-20 2018-10-24 Yadav, P.,Goyal, V.D.,Gaur, N.K.,Kumar, A.,Gokhale, S.M.,Makde, R.D. Structure of Asp-bound peptidase E from Salmonella enterica: Active site at dimer interface illuminates Asp recognition. FEBS Lett. 2018 592 3346 3354 6A4S 30194851 Crystal structure of peptidase E with ordered active site loop from Salmonella enterica 2018-06-20 2018-10-31 Yadav, P.,Goyal, V.D.,Gaur, N.K.,Kumar, A.,Gokhale, S.M.,Makde, R.D. Structure of Asp-bound peptidase E from Salmonella enterica: Active site at dimer interface illuminates Asp recognition. FEBS Lett. 2018 592 3346 3354 5YZM 30409909 Crystal structure of S9 peptidase (inactive form) from Deinococcus radiodurans R1 2017-12-15 2018-11-14 Yadav, P.,Goyal, V.D.,Gaur, N.K.,Kumar, A.,Gokhale, S.M.,Jamdar, S.N.,Makde, R.D. Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms. J.Biol.Chem. 2019 294 89 100 5YZN 30409909 Crystal structure of S9 peptidase (active form) from Deinococcus radiodurans R1 2017-12-15 2018-11-14 Yadav, P.,Goyal, V.D.,Gaur, N.K.,Kumar, A.,Gokhale, S.M.,Jamdar, S.N.,Makde, R.D. Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms. J.Biol.Chem. 2019 294 89 100 5YZO 30409909 Crystal structure of S9 peptidase mutant (S514A) from Deinococcus radiodurans R1 2017-12-15 2018-11-14 Yadav, P.,Goyal, V.D.,Gaur, N.K.,Kumar, A.,Gokhale, S.M.,Jamdar, S.N.,Makde, R.D. Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms. J.Biol.Chem. 2019 294 89 100 6IGP 30409909 Crystal structure of S9 peptidase (inactive state)from Deinococcus radiodurans R1 in P212121 2018-09-25 2018-11-14 Yadav, P.,Goyal, V.D.,Gaur, N.K.,Kumar, A.,Gokhale, S.M.,Jamdar, S.N.,Makde, R.D. Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms. J.Biol.Chem. 2019 294 89 100 6IGQ 30409909 Crystal structure of inactive state of S9 peptidase from Deinococcus radiodurans R1 (PMSF treated) 2018-09-25 2018-11-14 Yadav, P.,Goyal, V.D.,Gaur, N.K.,Kumar, A.,Gokhale, S.M.,Jamdar, S.N.,Makde, R.D. Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms. J.Biol.Chem. 2019 294 89 100 6IGR 30409909 Crystal structure of S9 peptidase (S514A mutant in inactive state) from Deinococcus radiodurans R1 2018-09-25 2018-11-14 Yadav, P.,Goyal, V.D.,Gaur, N.K.,Kumar, A.,Gokhale, S.M.,Jamdar, S.N.,Makde, R.D. Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms. J.Biol.Chem. 2019 294 89 100 6IKG 30409909 Crystal structure of substrate-bound S9 peptidase (S514A mutant) from Deinococcus radiodurans 2018-10-16 2018-11-14 Yadav, P.,Goyal, V.D.,Gaur, N.K.,Kumar, A.,Gokhale, S.M.,Jamdar, S.N.,Makde, R.D. Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms. J.Biol.Chem. 2019 294 89 100 5Z40 Crystal structure of pyrrolidone carboxylate peptidase I from Deionococcus radiodurans R1 2018-01-09 2019-01-16 Agrawal, R.,Ghosh, B.,Kumar, A.,Makde, R.D. Crystal structures of pyrrolidone carboxylate peptidase I from Deionococcus radiodurans reveal the mechanism of L-pyroglutamate recognition To Be Published 0 0 0 0 5Z47 30950401 Crystal structure of pyrrolidone carboxylate peptidase I with disordered loop A from Deinococcus radiodurans R1 2018-01-10 2019-01-16 Agrawal, R.,Singh, R.,Kumar, A.,Kumar, A.,Makde, R.D. Crystal structures of pyrrolidone-carboxylate peptidase I from Deinococcus radiodurans reveal the mechanism of L-pyroglutamate recognition. Acta Crystallogr D Struct Biol 2019 75 308 316 5Z48 30950401 Crystal structure of pyrrolidone carboxylate peptidase I from Deinococcus radiodurans R1 bound to pyroglutamate 2018-01-10 2019-01-16 Agrawal, R.,Singh, R.,Kumar, A.,Kumar, A.,Makde, R.D. Crystal structures of pyrrolidone-carboxylate peptidase I from Deinococcus radiodurans reveal the mechanism of L-pyroglutamate recognition. Acta Crystallogr D Struct Biol 2019 75 308 316 5ZWT 30543875 Crystal structure of the S37A mutant of apo-acyl carrier protein from Leishmania major 2018-05-16 2019-01-16 Arya, R.,Sharma, B.,Dhembla, C.,Pal, R.K.,Patel, A.K.,Sundd, M.,Ghosh, B.,Makde, R.D.,Kundu, S. A conformational switch from a closed apo- to an open holo-form equips the acyl carrier protein for acyl chain accommodation. Biochim Biophys Acta Proteins 2018 1867 163 174 6A9T 30582634 Crystal structure of Icp55 from Saccharomyces cerevisiae (N-terminal 58 residues deletion) 2018-07-16 2019-01-16 Singh, R.,Goyal, V.D.,Kumar, A.,Sabharwal, N.S.,Makde, R.D. Crystal structures and biochemical analyses of intermediate cleavage peptidase: role of dynamics in enzymatic function. FEBS Lett. 2019 593 443 454 6A9U 30582634 Crystal strcture of Icp55 from Saccharomyces cerevisiae bound to apstatin inhibitor 2018-07-16 2019-01-16 Singh, R.,Goyal, V.D.,Kumar, A.,Sabharwal, N.S.,Makde, R.D. Crystal structures and biochemical analyses of intermediate cleavage peptidase: role of dynamics in enzymatic function. FEBS Lett. 2019 593 443 454 6A9V 30582634 Crystal structure of Icp55 from Saccharomyces cerevisiae (N-terminal 42 residues deletion) 2018-07-16 2019-01-16 Singh, R.,Goyal, V.D.,Kumar, A.,Sabharwal, N.S.,Makde, R.D. Crystal structures and biochemical analyses of intermediate cleavage peptidase: role of dynamics in enzymatic function. FEBS Lett. 2019 593 443 454 5ZBU Crystal Structure of PA-TM-RING E3 ligase RNF13 RING domain in complex with E2~Ub 2018-02-12 2019-02-27 Sarkar, S.,Datta, A.B. Crystal Structure of PA-TM-RING E3 ligase RNF13 RING domain in complex with E2~Ub To Be Published 0 0 0 0 5ZC4 Crystal Structure of RNF13 RING domain 2018-02-14 2019-02-27 Sarkar, S.,Datta, A.B. Crystal Structure of RNF13 RING domain To Be Published 0 0 0 0 5ZIK 31136784 Crystal structure of Ketopantoate reductase from Pseudomonas aeruginosa 2018-03-16 2019-03-20 Khanppnavar, B.,Chatterjee, R.,Choudhury, G.B.,Datta, S. Genome-wide survey and crystallographic analysis suggests a role for both horizontal gene transfer and duplication in pantothenate biosynthesis pathways. Biochim Biophys Acta Gen Subj 2019 1863 1547 1559 5ZIX 31136784 Crystal structure of Ketopantoate reductase from Pseudomonas aeruginosa bound to NADP+ 2018-03-17 2019-03-20 Khanppnavar, B.,Chatterjee, R.,Choudhury, G.B.,Datta, S. Genome-wide survey and crystallographic analysis suggests a role for both horizontal gene transfer and duplication in pantothenate biosynthesis pathways. Biochim Biophys Acta Gen Subj 2019 1863 1547 1559 5ZWY 31170491 Ribokinase from Leishmania donovani 2018-05-17 2019-05-22 Gatreddi, S.,Pillalamarri, V.,Vasudevan, D.,Addlagatta, A.,Qureshi, I.A. Unraveling structural insights of ribokinase from Leishmania donovani. Int.J.Biol.Macromol. 2019 136 253 265 6A4T 30968972 Crystal structure of Peptidase E from Deinococcus radiodurans R1 2018-06-20 2019-06-26 Yadav, P.,Goyal, V.D.,Chandravanshi, K.,Kumar, A.,Gokhale, S.M.,Jamdar, S.N.,Makde, R.D. Catalytic triad heterogeneity in S51 peptidase family: Structural basis for functional variability. Proteins 2019 87 679 692 6JCH 31026587 Crystal structure of SpaE basal pilin from Lactobacillus rhamnosus GG - Orthorhombic form 2019-01-28 2019-06-26 Megta, A.K.,Mishra, A.K.,Palva, A.,von Ossowski, I.,Krishnan, V. Crystal structure of basal pilin SpaE reveals the molecular basis of its incorporation in the lactobacillar SpaFED pilus. J.Struct.Biol. 2019 207 74 84 6JPR 31285455 Crystal structure of Phycocyanin from Nostoc sp. R76DM 2019-03-27 2019-06-26 Sonani, R.R.,Rastogi, R.P.,Patel, S.N.,Chaubey, M.G.,Singh, N.K.,Gupta, G.D.,Kumar, V.,Madamwar, D. Phylogenetic and crystallographic analysis of Nostoc phycocyanin having blue-shifted spectral properties. Sci Rep 2019 9 9863 9863 6A8A 31170491 Ribokinase from Leishmania donovani with ATP 2018-07-06 2019-07-10 Gatreddi, S.,Pillalamarri, V.,Vasudevan, D.,Addlagatta, A.,Qureshi, I.A. Unraveling structural insights of ribokinase from Leishmania donovani. Int.J.Biol.Macromol. 2019 136 253 265 6A8C 31170491 Ribokinase from Leishmania donovani with ADP 2018-07-06 2019-07-10 Gatreddi, S.,Pillalamarri, V.,Vasudevan, D.,Addlagatta, A.,Qureshi, I.A. Unraveling structural insights of ribokinase from Leishmania donovani. Int.J.Biol.Macromol. 2019 136 253 265 6A8Q R207A mutant of highly active EfBSH 2018-07-10 2019-07-10 Ramasamy, S.,Yadav, Y. R207A mutant of highly active EfBSH To Be Published 0 0 0 0 6A8T E269A mutant of highly active EfBSH 2018-07-10 2019-07-10 Ramasamy, S.,Yadav, Y. E269A mutant of highly active EfBSH To Be Published 0 0 0 0 6A8Z 31351924 Crystal structure of M1 zinc metallopeptidase from Deinococcus radiodurans 2018-07-11 2019-07-17 Agrawal, R.,Goyal, V.D.,Kumar, A.,Gaur, N.K.,Jamdar, S.N.,Kumar, A.,Makde, R.D. Two-domain aminopeptidase of M1 family: Structural features for substrate binding and gating in absence of C-terminal domain. J.Struct.Biol. 2019 208 51 60 6KL8 Crystal structure of Piptidyl t-RNA hydrolase from Acinetobacter baumannii with bound NaCl at the substrate binding site 2019-07-29 2019-08-07 Viswanathan, V.,Sharma, P.,Singh, P.K.,Sharma, S.,Singh, T.P. Crystal structure of Piptidyl t-RNA hydrolase from Acinetobacter baumannii with bound NaCl at the substrate binding site To Be Published 0 0 0 0 6AH6 31778699 M500V mutant of Coronin coiled coil domain 2018-08-16 2019-08-21 Karade, S.S.,Ansari, A.,Srivastava, V.K.,Nayak, A.R.,Pratap, J.V. Molecular and structural analysis of a mechanical transition of helices in the L. donovani coronin coiled-coil domain. Int.J.Biol.Macromol. 2020 143 785 796 6KKW Crystal structure of the complex of phosphopantetheine adenylyl transferase from Acinetobacter baumannii with Dephospho Coenzyme at 3.2 A resolution. 2019-07-27 2019-08-21 Viswanathan, V.,Gupta, A.,Sharma, S.,Singh, T.P. Crystal structure of the complex of phosphopantetheine adenylyl transferase from Acinetobacter baumannii with Dephospho Coenzyme at 3.2 A resolution. To Be Published 0 0 0 0 6KMK Crystal structure of hydrogen peroxide bound bovine lactoperoxidase at 2.3 A resolution 2019-07-31 2019-08-28 Singh, P.K.,Sirohi, H.V.,Bhushan, A.,Kaur, P.,Sharma, S.,Singh, T.P. Crystal structure of hydrogen peroxide bound bovine lactoperoxidase at 2.3 A resolution To Be Published 0 0 0 0 6K5P 31449868 Structure of mosquito-larvicidal Binary toxin receptor, Cqm1 2019-05-30 2019-09-11 Sharma, M.,Kumar, V. Crystal structure of BinAB toxin receptor (Cqm1) protein and molecular dynamics simulations reveal the role of unique Ca(II) ion. Int.J.Biol.Macromol. 2019 140 1315 1325 6IFF 31923495 Crystal structure of M1 zinc metallopeptidase E323A mutant from Deinococcus radiodurans 2018-09-20 2019-09-25 Agrawal, R.,Goyal, V.D.,Singh, R.,Kumar, A.,Jamdar, S.N.,Kumar, A.,Makde, R.D. Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase. Int.J.Biol.Macromol. 2020 147 304 313 6IFG 31351924 Crystal structure of M1 zinc metallopeptidase E323A mutant bound to Tyr-ser-ala substrate from Deinococcus radiodurans 2018-09-20 2019-09-25 Agrawal, R.,Goyal, V.D.,Kumar, A.,Gaur, N.K.,Jamdar, S.N.,Kumar, A.,Makde, R.D. Two-domain aminopeptidase of M1 family: Structural features for substrate binding and gating in absence of C-terminal domain. J.Struct.Biol. 2019 208 51 60 6ADO 31778699 LdCoroCC mutant-I486A 2018-08-01 2019-10-09 Karade, S.S.,Ansari, A.,Srivastava, V.K.,Nayak, A.R.,Pratap, J.V. Molecular and structural analysis of a mechanical transition of helices in the L. donovani coronin coiled-coil domain. Int.J.Biol.Macromol. 2020 143 785 796 6ADZ 31778699 LdCoroCC Double mutant- I486A-L493A 2018-08-02 2019-10-09 Karade, S.S.,Ansari, A.,Srivastava, V.K.,Nayak, A.R.,Pratap, J.V. Molecular and structural analysis of a mechanical transition of helices in the L. donovani coronin coiled-coil domain. Int.J.Biol.Macromol. 2020 143 785 796 6KY7 Crystal structure of yak lactoperoxidase at 2.27 A resolution 2019-09-16 2019-10-16 Singh, P.K.,Viswanathan, V.,Sharma, P.,Rani, C.,Sharma, S.,Singh, T.P. Crystal structure of yak lactoperoxidase at 2.27 A resolution To Be Published 0 0 0 0 6L32 33427997 Crystal structure of potassium induced heme modification in yak lactoperoxidase at 2.30 A resolution 2019-10-08 2019-10-23 Singh, P.K.,Pandey, S.,Rani, C.,Ahmad, N.,Viswanathan, V.,Sharma, P.,Kaur, P.,Sharma, S.,Singh, T.P. Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution. J.Biol.Inorg.Chem. 2021 26 149 159 6L2J Crystal structure of yak lactoperoxidase at 1.93 A resolution. 2019-10-04 2019-10-30 Viswanathan, V.,Sharma, P.,Rani, C.,Sharma, S.,Singh, T.P. Crystal structure of yak lactoperoxidase at 1.93 A resolution. To Be Published 0 0 0 0 6IRU 30968972 Crystal structure of Peptidase E from Deinococcus radiodurans in P6422 space group 2018-11-14 2019-11-20 Yadav, P.,Goyal, V.D.,Chandravanshi, K.,Kumar, A.,Gokhale, S.M.,Jamdar, S.N.,Makde, R.D. Catalytic triad heterogeneity in S51 peptidase family: Structural basis for functional variability. Proteins 2019 87 679 692 6J2M 31807785 Crystal structure of AtFKBP53 C-terminal domain 2019-01-01 2019-12-04 Singh, A.K.,Datta, A.,Jobichen, C.,Luan, S.,Vasudevan, D. AtFKBP53: a chimeric histone chaperone with functional nucleoplasmin and PPIase domains. Nucleic Acids Res. 2020 48 1531 1550 6JIE 31628950 YaeO bound to Magnesium from Vibrio cholerae O395 2019-02-20 2019-12-11 Pal, K.,Yadav, M.,Jain, S.,Ghosh, B.,Sen, R.,Sen, U. Vibrio cholerae YaeO is a Structural Homologue of RNA Chaperone Hfq that Inhibits Rho-dependent Transcription Termination by Dissociating its Hexameric State. J.Mol.Biol. 2019 431 4749 4766 6J42 30993731 Crystal Structure of Wild Type KatB, a manganese catalase from Anabaena 2019-01-07 2020-01-15 Chakravarty, D.,Bihani, S.C.,Banerjee, M.,Ballal, A. Novel molecular insights into the anti-oxidative stress response and structure-function of a salt-inducible cyanobacterial Mn-catalase. Plant Cell Environ 2019 42 2508 2521 6KOY 31923495 Crystal structure of two domain M1 Zinc metallopeptidase E323A mutant bound to L-tryptophan amino acid 2019-08-13 2020-01-22 Agrawal, R.,Goyal, V.D.,Singh, R.,Kumar, A.,Jamdar, S.N.,Kumar, A.,Makde, R.D. Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase. Int.J.Biol.Macromol. 2020 147 304 313 6KOZ 31923495 Crystal structure of two domain M1 zinc metallopeptidase E323 mutant bound to L-Leucine amino acid 2019-08-13 2020-01-22 Agrawal, R.,Goyal, V.D.,Singh, R.,Kumar, A.,Jamdar, S.N.,Kumar, A.,Makde, R.D. Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase. Int.J.Biol.Macromol. 2020 147 304 313 6KP0 31923495 Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-arginine 2019-08-13 2020-01-22 Agrawal, R.,Goyal, V.D.,Singh, R.,Kumar, A.,Jamdar, S.N.,Kumar, A.,Makde, R.D. Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase. Int.J.Biol.Macromol. 2020 147 304 313 6LQW Crystal structure of a dimeric yak lactoperoxidase at 2.59 A resolution. 2020-01-14 2020-01-29 Viswanathan, V.,Pandey, S.N.,Sharma, P.,Rani, C.,Ahmad, N.,Sharma, S.,Singh, T.P. Crystal structure of a dimeric yak lactoperoxidase at 2.59 A resolution. To Be Published 0 0 0 0 6LSO Crystal structure of a dimeric inhibited of peptidyl tRNA hydrolase at 1.76A resolution 2020-01-17 2020-02-05 Bairagya, H.R.,Ahmad, M.I.,Sharma, P.,Sharma, S.,Singh, T.P. Crystal structure of a dimeric inhibited of peptidyl tRNA hydrolase at 1.76A resolution To Be Published 0 0 0 0 6LSP Crystal structure of a dimeric Piptidyl t-RNA hydrolase from Acinetobacter baumannii at 1.50 A resolution reveals an inhibited form. 2020-01-18 2020-02-05 Viswanathan, V.,Ahmad, M.I.,Sharma, P.,Sharma, S.,Singh, T.P. Crystal structure of a dimeric Piptidyl t-RNA hydrolase from Acinetobacter baumannii at 1.50 A resolution reveals on inhibited form. To Be Published 0 0 0 0 6LUA Cis-mutant R349A of the central AAA+ domain of the flagellar regulatory protein FlrC 2020-01-27 2020-03-18 Dasgupta, J.,Chakraborty, S. Oligomerization of flagellar regulatory protein FlrC is essential for cis-mediated ATP binding while c-di-GMP prefers its monomeric state To Be Published 0 0 0 0 6LUF Trans-acting mutant Y290A of the central AAA+ domain of the flagellar regulatory protein FlrC 2020-01-27 2020-03-18 Dasgupta, J.,Chakraborty, S. Oligomerization of flagellar regulatory protein FlrC is essential for cis-mediated ATP binding while c-di-GMP prefers its monomeric state To Be Published 0 0 0 0 6JQY Crystal structure of N-terminal domain of VapB46 antitoxin from Mycobacterium tuberculosis 2019-04-02 2020-04-08 Roy, M.,Singh, B.K.,Bhattacharyya, S.,Das, A.k. Crystal structure of N-terminal domain of VapB46 antitoxin from Mycobacterium tuberculosis To Be Published 0 0 0 0 6JW9 34974303 Crystal structure of E-64 inhibited falcipain 2 from Plasmodium falciparum, strain 3D7 2019-04-18 2020-04-22 Chakraborty, S.,Alam, B.,Biswas, S. New insights of falcipain 2 structure from Plasmodium falciparum 3D7 strain. Biochem.Biophys.Res.Commun. 2022 590 145 151 7C2O Crystal structure of the R-specific Carbonyl Reductase from Candida parapsilosis ATCC 7330 without DTT 2020-05-08 2020-05-27 Vinaykumar, K.,KanalElamparithi, B.,Chaudhury, D.,Gunasekaran, K.,Chadha, A. Crystal structure of the R-specific Carbonyl Reductase from Candida parapsilosis ATCC 7330 without DTT To Be Published 0 0 0 0 7C74 33427997 Crystal structure of yak lactoperoxidase using data obtained from crystals soaked in CaCl2 at 2.73 A resolution 2020-05-22 2020-06-10 Singh, P.K.,Pandey, S.,Rani, C.,Ahmad, N.,Viswanathan, V.,Sharma, P.,Kaur, P.,Sharma, S.,Singh, T.P. Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution. J.Biol.Inorg.Chem. 2021 26 149 159 6KP1 31923495 Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-methionine amino acid 2019-08-13 2020-06-24 Agrawal, R.,Goyal, V.D.,Singh, R.,Kumar, A.,Jamdar, S.N.,Kumar, A.,Makde, R.D. Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase. Int.J.Biol.Macromol. 2020 147 304 313 7C73 33427997 Crystal structure of yak lactoperoxidase using data obtained from crystals soaked in MgCl2 at 2.70 A resolution 2020-05-22 2020-06-24 Singh, P.K.,Pandey, S.,Rani, C.,Ahmad, N.,Viswanathan, V.,Sharma, P.,Kaur, P.,Sharma, S.,Singh, T.P. Potassium-induced partial inhibition of lactoperoxidase: structure of the complex of lactoperoxidase with potassium ion at 2.20 angstrom resolution. J.Biol.Inorg.Chem. 2021 26 149 159 6KJM 33197566 Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis 2019-07-22 2020-07-22 Shukla, A.,Afsar, M.,Kumar, N.,Kumar, S.,Ramachandran, R. Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A. J.Struct.Biol. 2021 213 107655 107655 6KKV 33197566 Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis 2019-07-27 2020-07-29 Shukla, A.,Afsar, M.,Kumar, N.,Kumar, S.,Ramachandran, R. Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A. J.Struct.Biol. 2021 213 107655 107655 6KRH 34076591 Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis 2019-08-21 2020-08-26 Afsar, M.,Shukla, A.,Kumar, N.,Ramachandran, R. Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity. Acta Crystallogr D Struct Biol 2021 77 776 789 6KSC 34076591 Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis 2019-08-23 2020-08-26 Afsar, M.,Shukla, A.,Kumar, N.,Ramachandran, R. Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity. Acta Crystallogr D Struct Biol 2021 77 776 789 6KSD 34076591 Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis 2019-08-23 2020-08-26 Afsar, M.,Shukla, A.,Kumar, N.,Ramachandran, R. Salt bridges at the subdomain interfaces of the adenylation domain and active-site residues of Mycobacterium tuberculosis NAD + -dependent DNA ligase A (MtbLigA) are important for the initial steps of nick-sealing activity. Acta Crystallogr D Struct Biol 2021 77 776 789 7CAY 33006577 Crystal Structure of Lon N-terminal domain protein from Xanthomonas campestris 2020-06-10 2020-10-14 Singh, R.,Deshmukh, S.,Kumar, A.,Goyal, V.D.,Makde, R.D. Crystal structure of XCC3289 from Xanthomonas campestris: homology with the N-terminal substrate-binding domain of Lon peptidase. Acta Crystallogr.,Sect.F 2020 76 488 494 7DE5 33389415 Crystal structure of yak lactoperoxidase at 1.55 A resolution. 2020-11-02 2020-11-25 Viswanathan, V.,Rani, C.,Ahmad, N.,Singh, P.K.,Sharma, P.,Kaur, P.,Sharma, S.,Singh, T.P. Structure of Yak Lactoperoxidase at 1.55 angstrom Resolution. Protein J. 2021 40 8 18 6LW8 33197566 Structural basis for domain rotation during adenylation of active site K123 and fragment library screening against NAD+ -dependent DNA ligase from Mycobacterium tuberculosis 2020-02-07 2021-02-10 Shukla, A.,Afsar, M.,Kumar, N.,Kumar, S.,Ramachandran, R. Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A. J.Struct.Biol. 2021 213 107655 107655 7BUP 33544878 Crystal structure of PCNA from pathogenic yeast Candida albicans 2020-04-07 2021-02-17 Sundaram, R.,Manohar, K.,Patel, S.K.,Acharya, N.,Vasudevan, D. Structural analyses of PCNA from the fungal pathogen Candida albicans identify three regions with species-specific conformations. Febs Lett. 2021 595 1328 1349 6M00 crystal structure of Methionine aminopeptidase from Pyrococcus furiosus 2020-02-19 2021-02-24 sandeep, C.B.,Addlagatta, A. crystal structure of Methionine aminopeptidase from Pyrococcus furiosus To Be Published 0 0 0 0 6M0U Structure of AhSYMRK kinase domain mutant - K625E 2020-02-22 2021-02-24 Datta, A.B.,Naskar, P. Structure of AhSYMRK kinase domain mutant - K625E To Be Published 0 0 0 0 7C46 Crystal Structure of Rv1045 toxin point variant K189A 2020-05-15 2021-05-26 Deep, A.,Kaur, J.,Thakur, K.G. Crystal Structure of Rv1045 toxin point variant K189A To Be Published 0 0 0 0 7C9B 34431561 Crystal structure of dipeptidase-E from Xenopus laevis 2020-06-05 2021-06-09 Kumar, A.,Singh, R.,Ghosh, B.,Makde, R.D. Crystal structure of aspartyl dipeptidase from Xenopus laevis revealed ligand binding induced loop ordering and catalytic triad assembly. Proteins 2022 90 299 308 7CFE Crystal structure of RsmG methyltransferase of M. tuberculosis 2020-06-25 2021-06-30 Bijpuria, S.,Maurya, A.,Kumar, P.,Sharma, R.,Taneja, B. Crystal structure of RsmG methyltransferase of M. tuberculosis To Be Published 0 0 0 0 7EP8 34175309 Crystal structure of PCNA from Neurospora crassa 2021-04-26 2021-06-30 Kumari, P.,Sundaram, R.,Manohar, K.,Vasudevan, D.,Acharya, N. Interdomain connecting loop and J loop structures determine cross-species compatibility of PCNA. J.Biol.Chem. 2021 297 100911 100911 7CWJ 34547313 Root induced Secreted protein Tsp1 from Biocontrol fungi Trichoderma virens 2020-08-28 2021-09-01 Gupta, G.D.,Bansal, R.,Mistry, H.,Pandey, B.,Mukherjee, P.K. Structure-function analysis reveals Trichoderma virens Tsp1 to be a novel fungal effector protein modulating plant defence. Int.J.Biol.Macromol. 2021 191 267 276 7CWP Root induced Secreted protein Tsp1 from Biocontrol fungi Trichoderma virens 2020-08-29 2021-09-01 Gupta, G.D. Crystal structure of root induced Secreted protein Tsp1 from Biocontrol fungi Trichoderma virens To Be Published 0 0 0 0 7FFP 34431561 Crystal structure of di-peptidase-E from Xenopus laevis 2021-07-23 2021-09-08 Kumar, A.,Singh, R.,Ghosh, B.,Makde, R.D. Crystal structure of aspartyl dipeptidase from Xenopus laevis revealed ligand binding induced loop ordering and catalytic triad assembly. Proteins 2022 90 299 308 7E4W 34534740 Human Transcriptional Co-activator PC4 (C-terminal Domain) in space group P1211 2021-02-15 2021-09-22 Pandey, B.,Dev, A.,Chakravorty, D.,Bhandare, V.V.,Polley, S.,Roy, S.,Basu, G. Insights on the disruption of the complex between human positive coactivator 4 and p53 by small molecules. Biochem.Biophys.Res.Commun. 2021 578 15 20 7D6W 37366498 Crystal structure of Phycocyanin from Synechococcus sp. R42DM 2020-10-02 2021-10-06 Patel, S.N.,Sonani, R.R.,Chaubey, M.G.,Gupta, G.D.,Singh, N.K.,Kumar, V.,Madamwar, D. Crystal structure of Synechococcus phycocyanin: implications of light-harvesting and antioxidant properties. 3 Biotech 2023 13 247 247 7ESW 34547313 Root induced Secreted protein Tsp1 from Biocontrol fungi Trichoderma virens 2021-05-11 2021-10-06 Gupta, G.D.,Bansal, R.,Mistry, H.,Pandey, B.,Mukherjee, P.K. Structure-function analysis reveals Trichoderma virens Tsp1 to be a novel fungal effector protein modulating plant defence. Int.J.Biol.Macromol. 2021 191 267 276 7CLE Non-Specific Class-c acidphosphatase from Sphingobium sp. RSMS 2020-07-20 2021-11-10 Gaur, N.K.,Kumar, A.,Sunder, S.,Mukhopadhyaya, R.,Makde, R.D. Non-Specific Class-c acidphosphatase from Sphingobium sp. RSMS To Be Published 0 0 0 0 7DGX Structure of coiled coil domain of Trypanosoma brucei coronin 2020-11-12 2021-11-10 Parihar, P.S.,Singh, A.,Karade, S.S.,Sahasrabuddhe, A.A.,Pratap, J.V. Structural insights into kinetoplastid coronin oligomerization domain and F-actin interaction Curr Res Struct Biol 2021 3 268 276 7E9R Crystal structure of Sesquisabinene B Synthase 1 mutant T313S 2021-03-04 2022-03-09 Singh, S.,Thulasiram, H.V.,Kulkarni, K.A. Crystal structure of Sesquisabinene B Synthase 1 mutant T313S To Be Published 0 0 0 0 7EI0 34974303 Crystal structure of falcipain 2 from 3D7 strain 2021-03-30 2022-04-06 Chakraborty, S.,Alam, B.,Biswas, S. New insights of falcipain 2 structure from Plasmodium falciparum 3D7 strain. Biochem.Biophys.Res.Commun. 2022 590 145 151 7F86 35354393 Crystal structure of Phycoerythrin from Halomicronema Sp. R31DM 2021-07-01 2022-04-13 Patel, S.N.,Sonani, R.R.,Gupta, G.D.,Singh, N.K.,Kumar, V.,Madamwar, D. Crystal structure analysis of phycoerythrin from marine cyanobacterium Halomicronema . J.Biomol.Struct.Dyn. 2023 41 3752 3761 7DES Acyl-Coenzyme A Binding Protein 103 (LMJF_17_0620) of Leishmania Major 2020-11-04 2022-05-04 Verma, S.,Sundd, M.,Makde, R.D. Acyl-Coenzyme A Binding Protein 103 (LMJF_17_0620) of Leishmania Major To Be Published 0 0 0 0 7VO6 High resolution crystal structure of human PSMD10 (Gankyrin) 2021-10-12 2022-05-11 Sudharsan, M.G.M.,Venkatraman, P. A crystal form of PSMD10 Gankyrin with channels accessible to small molecules. Curr.Sci. 2022 122 674 681 7Y3U Crystal structure of the complex of Lactoperoxidase with Nitric oxide at 2.50A resolution 2022-06-13 2022-06-29 Singh, P.K.,Viswanathan, V.,Ahmad, N. Crystal structure of the complex of Lactoperoxidase with Nitric oxide at 2.50A resolution To Be Published 0 0 0 0 7F7A Crystal structure of Non-specific class-C acid phosphatase from Sphingobium sp. RSMS bound to Adenine at pH 9 2021-06-28 2022-07-06 Gaur, N.K.,Kumar, A.,Sunder, S.,Mukhopadhyaya, R.,Makde, R.D. Non-Specific Class-c acidphosphatase from Sphingobium sp. RSMS To Be Published 0 0 0 0 7F7B Crystal structure of Non-specific class-C acid phosphatase from Sphingobium sp. RSMS bound to BIS-TRIS at pH 5.5 2021-06-28 2022-07-06 Gaur, N.K.,Kumar, A.,Sunder, S.,Mukhopadhyaya, R.,Makde, R.D. Non-Specific Class-c acidphosphatase from Sphingobium sp. RSMS To Be Published 0 0 0 0 7F7C Crystal structure of Non-specific class-C acid phosphatase from Sphingobium sp. RSMS bound to Adenosine at pH 5.5 2021-06-28 2022-07-06 Gaur, N.K.,Kumar, A.,Sunder, S.,Mukhopadhyaya, R.,Makde, R.D. Non-Specific Class-c acidphosphatase from Sphingobium sp. RSMS To Be Published 0 0 0 0 7F7D Crystal structure of Non-specific class-C acid phosphatase from Sphingobium sp. RSMS bound to Adenosine at pH 5.5 2021-06-28 2022-07-06 Gaur, N.K.,Kumar, A.,Sunder, S.,Mukhopadhyaya, R.,Makde, R.D. Non-Specific Class-c acidphosphatase from Sphingobium sp. RSMS To Be Published 0 0 0 0 7FCN Crystal strcture of PirA insecticidal protein from Photorhabdus akhurstii 2021-07-15 2022-07-20 Prashar, A.,Kinkar, O.U.,Kumar, A.,Hadapad, A.B.,Makde, R.D.,Hire, R.S. Crystal structures of PirA and PirB toxins from Photorhabdus akhurstii subsp. akhurstii K-1 Insect Biochem.Mol.Biol. 2023 162 104014 0 7FCR Crystal structure of the N-terminal domain of mutants of Human Apolipoprotein-E (ApoE) 2021-07-15 2022-07-20 Cherakara, S.,Kumar, A.,Garai, K.,Ghosh, B. Crystal structure of the N-terminal domain of mutants of Human Apolipoprotein-E (ApoE) To be published 0 0 0 0 7FCS Crystal structure of the N-terminal domain of mutants of Human Apolipoprotein-E (ApoE) 2021-07-15 2022-07-20 Cherakara, S.,Kumar, A.,Garai, K.,Ghosh, B. Crystal structure of the N-terminal domain of mutants of Human Apolipoprotein-E (ApoE) To be published 0 0 0 0 7FDP Crystal structure of PirB insecticidal protein from Photorhabdus akhurstii 2021-07-17 2022-07-20 Prashar, A.,Kinkar, O.U.,Kumar, A.,Hadapad, A.B.,Makde, R.D.,Hire, R.S. Crystal structures of PirA and PirB toxins from Photorhabdus akhurstii subsp. akhurstii K-1 Insect Biochem.Mol.Biol. 2023 162 104014 0 7V9B 35874228 Crystal Structure of 14-3-3 epsilon with FOXO3a peptide 2021-08-24 2022-08-31 Mathivanan, S.,Chunchagatta Lakshman, P.K.,Singh, M.,Giridharan, S.,Sathish, K.,Hurakadli, M.A.,Bharatham, K.,Kamariah, N. Structure of a 14-3-3 epsilon :FOXO3a pS253 Phosphopeptide Complex Reveals 14-3-3 Isoform-Specific Binding of Forkhead Box Class O Transcription Factor (FOXO) Phosphoproteins. Acs Omega 2022 7 24344 24352 7VEP Crystal structure and biophysical characterization of TPR domain of EccA5 from ESX-5 pathway of Mycobacterium tuberculosis H37RVR 2021-09-09 2022-09-14 Ramachandran, R.,Sharma, V.K.,Vishwakarma, J. Crystal structure and biophysical characterization of TPR domain of EccA5 from ESX-5 pathway of Mycobacterium tuberculosis H37RVR To Be Published 0 0 0 0 7VMH 36069647 Crystal structure of Arabidopsis thaliana HDT4 2021-10-08 2022-09-21 Bobde, R.C.,Kumar, A.,Vasudevan, D. Plant-specific HDT family histone deacetylases are nucleoplasmins. Plant Cell 2022 34 4760 4777 7VMI 36069647 Crystal structure of Arabidopsis thaliana HDT3 2021-10-08 2022-09-21 Bobde, R.C.,Kumar, A.,Vasudevan, D. Plant-specific HDT family histone deacetylases are nucleoplasmins. Plant Cell 2022 34 4760 4777 7VRR 36069647 Crystal structure of Arabidopsis thaliana HDT1 2021-10-23 2022-09-21 Bobde, R.C.,Kumar, A.,Vasudevan, D. Plant-specific HDT family histone deacetylases are nucleoplasmins. Plant Cell 2022 34 4760 4777 8H5V Crystal structure of the FleQ domain of Vibrio cholerae FlrA 2022-10-14 2022-11-02 Dasgupta, J.,Chakraborty, S. FleQ domain of flagellar Master regulato FlrA is indispensable for oligomerization, nucleotide binding and enhancer recognition in Vibrio cholerae To Be Published 0 0 0 0 7W9G 36650888 Complex structure of Mpro with ebselen-derivative inhibitor 2021-12-09 2022-12-14 Sahoo, P.,Lenka, D.R.,Batabyal, M.,Pain, P.K.,Kumar, S.,Manna, D.,Kumar, A. Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). Acs Pharmacol Transl Sci 2023 6 171 180 8HMQ Crystal Structure of PKM2 mutant P403A 2022-12-05 2023-01-11 Upadhyay, S.,Kumar, A.,Patel, A.K. Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published 0 0 0 0 8HMR Crystal Structure of PKM2 mutant L144P 2022-12-05 2023-01-11 Upadhyay, S.,Kumar, A.,Patel, A.K. Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published 0 0 0 0 8HMS Crystal Structure of PKM2 mutant C474S 2022-12-05 2023-01-11 Upadhyay, S.,Kumar, A.,Patel, A.K. Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published 0 0 0 0 8HMU Crystal Structure of PKM2 mutant R516C 2022-12-05 2023-01-11 Upadhyay, S.,Kumar, A.,Patel, A.K. Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2 To Be Published 0 0 0 0 7FC7 Acyl-Coenzyme A Binding Protein 96 (LMJ_17_0780) of Leishmania Major in complex with Coenzyme A 2021-07-14 2023-01-18 Verma, S.,Makde, R.D.,Sundd, M. Acyl-Coenzyme A Binding Protein 96 (LMJ_17_0780) of Leishmania Major in complex with Coenzyme A To be published 0 0 0 0 8HY5 38035964 Structure of D-amino acid oxidase mutant R38H 2023-01-05 2023-01-25 Khan, S.,Upadhyay, S.,Dave, U.,Kumar, A.,Gomes, J. Structural and mechanistic insights into ALS patient derived mutations in D-amino acid oxidase. Int.J.Biol.Macromol. 2023 256 128403 128403 7VE0 38304146 Crystal Structure of Ritonavir bound Plasmepsin II (PMII) from Plasmodium falciparum 2021-09-07 2023-02-01 Mishra, V.,Deshmukh, A.,Rathore, I.,Chakraborty, S.,Patankar, S.,Gustchina, A.,Wlodawer, A.,Yada, R.Y.,Bhaumik, P. Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery. Curr Res Struct Biol 2024 7 100128 100128 7WFS Acyl-Coenzyme A Binding Protein 103 (LMJF_17_0620) of Leishmania major in triclinic crystal form 2021-12-27 2023-02-01 Verma, S.,Sundd, M. Acyl-Coenzyme A Binding Protein 103 (LMJF_17_0620) of Leishmania major in monoclinic crystal form TO BE PUBLISHED 0 0 0 0 7XQ6 36650888 The complex structure of mutant Mpro with inhibitor 2022-05-06 2023-03-01 Sahoo, P.,Lenka, D.R.,Batabyal, M.,Pain, P.K.,Kumar, S.,Manna, D.,Kumar, A. Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). Acs Pharmacol Transl Sci 2023 6 171 180 7XQ7 36650888 The complex structure of WT-Mpro 2022-05-06 2023-03-01 Sahoo, P.,Lenka, D.R.,Batabyal, M.,Pain, P.K.,Kumar, S.,Manna, D.,Kumar, A. Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2). Acs Pharmacol Transl Sci 2023 6 171 180 7XBJ 38040266 Txp40, an insecticidal toxin protein from Xenorhabdus nematophila 2022-03-21 2023-03-29 Kinkar, O.U.,Kumar, A.,Prashar, A.,Yadav, B.,Hadapad, A.B.,Hire, R.S.,Makde, R.D. The crystal structure of insecticidal protein Txp40 from Xenorhabdus nematophila reveals a two-domain unique binary toxin with homology to the toxin-antitoxin (TA) system. Insect Biochem.Mol.Biol. 2023 164 104045 104045 8JFS 37302289 Phosphate bound acylphosphatase from Deinococcus radiodurans at 1 Angstrom resolution 2023-05-18 2023-06-14 Khakerwala, Z.,Kumar, A.,Makde, R.D. Crystal structure of phosphate bound Acyl phosphatase mini-enzyme from Deinococcus radiodurans at 1 angstrom resolution. Biochem.Biophys.Res.Commun. 2023 671 153 159 7YH4 Crystal structure of human cytosolic beta-alanyl lysine dipeptidase (PM20D2) 2022-07-12 2023-08-02 Chandravanshi, K.,Gaur, N.K.,Kumar, A.,Makde, R.D. Crystal structure of human cytosolic beta-alanyl lysine dipeptidase (PM20D2) To Be Published 0 0 0 0 8IBO Crystal structure of Wild-Type Mycobacterium tuberculosis ClpC1 N-terminal domain in complex with Lassomycin 2023-02-10 2023-09-20 Jagdev, M.K.,Tompa, D.R.,Ling, L.L.,Peoples, A.J.,Dandapat, J.,Mohapatra, C.,Lewis, K.,Vasudevan, D. Crystal structure of the N-terminal domain of MtClpC1 in complex with the anti-mycobacterial natural peptide Lassomycin Int.J.Biol.Macromol. 2023 253 126771 0 8H8P Crystal structure of thiomorpholine-carboxylate dehydrogenase from Candida parapsilosis. 2022-10-24 2023-10-25 Uma Mahesh, M.V.N.,Abhishek, S.,Faidh, M.A.,Rajakumara, E.,Chadha, A. Structure and mechanism of a Ornithine cyclodeaminase/Mu-crystallin homolog purified from Candida parapsilosis ATCC 7330. To Be Published 0 0 0 0 8X1H Crystal structure of N-terminal domain of Nucleocapsid protein of SARS-CoV-2 2023-11-07 2023-11-22 Kumari, S.,Gupta, G.D. Crystal structure of N-terminal domain of Nucleocapsid protein of SARS-CoV-2 To Be Published 0 0 0 0 8HSF Insulin triple mutant INS-RQD 2022-12-19 2023-12-20 Kundapura, S.V.,Rao, S.S.,Kulal, A.,Ramagopal, U.A. Insulin triple mutant INS-RQD To Be Published 0 0 0 0 8HSK Insulin single mutant INS-Q 2022-12-19 2023-12-20 Rao, S.S.,Kundapura, S.V.,Kulal, A.,Ramagopal, U.A. Insulin single mutant INS-Q To Be Published 0 0 0 0 8WT1 38426217 Crystal structure of S9 carboxypeptidase from Geobacillus sterothermophilus 2023-10-17 2024-03-13 Chandravanshi, K.,Singh, R.,Bhange, G.N.,Kumar, A.,Yadav, P.,Kumar, A.,Makde, R.D. Crystal structure and solution scattering of Geobacillus stearothermophilus S9 peptidase reveal structural adaptations for carboxypeptidase activity. Febs Lett. 2024 598 684 701 8IXH Pseudomoans aeruginosa Wildtype Ketopantoate Reductase With 3-Methyl-2-oxovalerate at substrate site 2023-04-01 2024-04-03 Choudhury, G.B.,Dutta, S. KEtopantoate reductase of Pseudomonas To Be Published 0 0 0 0 8X1A Crystal structure of periplasmic G6P binding protein VcA0625 2023-11-06 2024-04-17 Dasgupta, J.,Saha, I. Crystal structure of periplasmic G6P binding protein VcA0625 To Be Published 0 0 0 0