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IA, database of known ligands of aminoacyl-tRNA synthetases

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Abstract

The IA database contains 240 structures of known inhibitors of aminoacyl-tRNA synthetases. Structures can be downloaded in different file formats (mol, sdf, smile, png). The search engine offers possibility of searching for the ligands with a given functional group. Additionally, one can search for ligands that act on selected synthetases and from particular references. The data include information which synthetase a given ligand inhibits together with the inhibition constant (IC50) if known. Database is freely available at http://ia.bioinfo.pl/

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References

  1. Szymanski M, Deniziak M, Barciszewski J (2000) Acta Biochim Pol 47:821

    CAS  Google Scholar 

  2. Pohlmann J, Brotz-Oesterhelt H (2004) Curr Drug Targets Infect Disord 4:261

    Article  CAS  Google Scholar 

  3. Kim S, Lee SW, Choi EC, Choi SY (2003) Appl Microbiol Biotechnol 61:278

    CAS  Google Scholar 

  4. Sukuru SCK, Crepin T, Milev Y, Marsh LC, Hill JB, Anderson RJ, Morris JC, Rohatgi A, O’Mahony G, Grøtli M, Danel F, Page MGP, Härtlein M, Cusack S, Kron MA, Kuhn LA (2006) J Comput Aided Mol Des 20:159

    Article  CAS  Google Scholar 

  5. Kim SE, Kim SY, Kim S, Kang T, Lee J (2005) Bioorg Med Chem Lett 15:3389

    Article  CAS  Google Scholar 

  6. Farhanullah, Kim SY, Yoon E-J, Choi E-C, Kim S, Kang T, Samrin F, Purie S, Lee J (2006) Bioorg Med Chem 14:7154

    Article  CAS  Google Scholar 

  7. Jarvest RL, Erskine SG, Forrest AK, Fosberry AP, Hibbs MJ, Jones JJ, O’Hanlon PJ, Sheppard RJ, Worby A (2005) Bioorg Med Chem Lett 15:2305

    Article  CAS  Google Scholar 

  8. Critchley IA, Young CL, Stone KC, Ochsner UA, Guiles J, Tarasow T, Janjic N (2005) Antimicrob Agents Chemother 49:4247

    Article  CAS  Google Scholar 

  9. Petraitis V, Petraitiene R, Kelaher AM, Sarafandi AA, Sein T, Mickiene D, Bacher J, Groll AH, Walsh TJ (2004) Antimicrob Agents Chemother 48:3959

    Article  CAS  Google Scholar 

  10. Kanamaru T, Nakano Y, Toyoda Y, Miyagawa KI, Tada M, Kaisho T, Nakao M (2001) Antimicrob Agents Chemother 45:2455

    Article  CAS  Google Scholar 

  11. Winum JY, Scozzafava A, Montero JL, Supuran CT (2005) Med Res Rev 25:186

    Article  CAS  Google Scholar 

  12. Schimmel P, Tao J, Hill J (1998) FASEB J 12:1599

    CAS  Google Scholar 

  13. Yu XY, Hill JM, Yu G, Yang Y, Kluge AF, Keith D, Finn J, Gallant P, Silverman J, Lim A (2001) Bioorg Med Chem Lett 11:541

    Article  CAS  Google Scholar 

  14. Banwell MG, Crasto CF, Easton CJ, Forrest AK, Karoli T, March DR, Mensah L, Nairn MR, O’Hanlon PJ, Oldham MD, Yue W (2000) Bioorg Med Chem Lett 10:2263

    Article  CAS  Google Scholar 

  15. Jarvest RL, Berge JM, Houge-Frydrych CS, Mensah LM, O’Hanlon PJ, Pope AJ (2001) Bioorg Med Chem Lett 11:2499

    Article  CAS  Google Scholar 

  16. Yu XY, Finn J, Hill JM, Wang ZG, Keith D, Silverman J, Oliver N (2004) Bioorg Med Chem Lett 14:1343

    Article  CAS  Google Scholar 

  17. Tandon M, Coffen DL, Gallant P, Keith D, Ashwell MA (2004) Bioorg Med Chem Lett 14:1909

    Article  CAS  Google Scholar 

  18. Hurdle JG, O’Neill AJ, Chopra I (2005) Antimicrob Agents Chemother 49:4821

    Article  CAS  Google Scholar 

  19. Jarvest RL, Armstrong SA, Berge JM, Brown P, Elder JS, Brown MJ, Copley RC, Forrest AK, Hamprecht DW, O’Hanlon PJ, Mitchell DJ, Rittenhouse S, Witty DR (2004) Bioorg Med Chem Lett 14:3937

    Article  CAS  Google Scholar 

  20. Jarvest RL, Berge JM, Brown P, Houge-Frydrych CS, O’Hanlon PJ, McNair DJ, Pope AJ, Rittenhouse S (2003) Bioorg Med Chem Lett 13:1265

    Article  CAS  Google Scholar 

  21. Qiu X, Janson CA, Smith WW, Green SM, McDevitt P, Johanson K, Carter P, Hibbs M, Lewis C, Chalker A, Fosberry A, Lalonde J, Berge J, Brown P, Houge-Frydrych CS, Jarvest RL (2001) Protein Sci 10:2008

    Article  CAS  Google Scholar 

  22. Finn J, Mattia K, Morytko M, Ram S, Yang Y, Wu X, Mak E, Gallant P, Keith D (2003) Bioorg Med Chem Lett 13:2231

    Article  CAS  Google Scholar 

  23. Lee J, Kim SE, Lee JY, Kim SY, Kang SU, Seo SH, Chun MW, Kang T, Choi SY, Kim HO (2003) Bioorg Med Chem Lett 13:1087

    Article  CAS  Google Scholar 

  24. Marvin applets. Retrieved from http://www.chemaxon.com/ 6/13/2007

  25. Mayo SL, Olafson BD, Goddard WA III (1990) J Phys Chem 94:8897

    Article  CAS  Google Scholar 

  26. Moustakas DT, Lang PT, Pegg S, Pettersen E, Kuntz ID, Brooijmans N, Rizzo RC (2006) J Comput Aided Mol Des 20:601

    Article  CAS  Google Scholar 

  27. Bursulaya BD, Totrov M, Abagyan R, Brooks CL (2003) J Comput Aided Mol Des 17:755

    Article  CAS  Google Scholar 

  28. Eitner K, Gaweda T, Hoffmann M, Jura M, Rychlewski L, Barciszewski J (2007) J Chem Inf Model 47:695

    Article  CAS  Google Scholar 

  29. Zavodszky MI, Sanschagrin PC, Kuhn LA, Korde RS (2002) J Comput Aided Mol Des 16:883

    Article  CAS  Google Scholar 

  30. Sippl W (2002) J Comput Aided Mol Des 16:825

    Article  CAS  Google Scholar 

  31. Plewczynski D, Spieser SAH, Koch U (2006) J Chem Inf Model 46:1098

    Article  CAS  Google Scholar 

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Acknowledgements

Financial support by European Commission and Polish Ministry for Education and Science is acknowledged (BioSapiens project grant number LSHG-CT-2003-503265, and grant number PBZ-MNiI-2/1/2005). MH thanks the Foundation for Polish Science for support via FOCUS program. The authors thank the anonymous referee for the suggestions on improving the IA database.

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Correspondence to Marcin Hoffmann.

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Torchala, M., Hoffmann, M. IA, database of known ligands of aminoacyl-tRNA synthetases. J Comput Aided Mol Des 21, 523–525 (2007). https://doi.org/10.1007/s10822-007-9135-x

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  • DOI: https://doi.org/10.1007/s10822-007-9135-x

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