Radiation damage reveals promising interaction position

Journal of Synchrotron Radiation

Volumn 18, Issue 5, 2011, Pages 782-789

  Koch, Cornelia ^a   Heine, Andreas ^a   Klebe, Gerhard ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

aldose reductase; bromine cleavage; enzyme inhibitor complex; experimental phasing; protein ligand interaction; radiation damage

Indexed keywords

ALDOSE REDUCTASE; ATOMIC RESOLUTION; DRUG DESIGN; ENZYME-INHIBITOR COMPLEX; EXPERIMENTAL PHASING; HIGH RESOLUTION; PROTEIN COMPLEXES; PROTEIN DATA BANK; PROTEIN INHIBITORS; PROTEIN RESIDUES; PROTEIN-LIGAND INTERACTIONS; RADIATION DOSE; STRUCTURAL DATA;

ATOMS; BROMINE; BROMINE COMPOUNDS; COMPLEXATION; CRYSTAL ATOMIC STRUCTURE; DOSIMETRY; DRUG INTERACTIONS; PROTEINS; RADIATION DAMAGE;

RADIATION;

ACETIC ACID DERIVATIVE; ALDEHYDE REDUCTASE; BROMINE; ENZYME INHIBITOR; IDD 594; PHENOXYACETIC ACID DERIVATIVE; THIOAMIDE;

ARTICLE; CHEMISTRY; DRUG DESIGN; GENETICS; HUMAN; RADIATION EXPOSURE; SYNCHROTRON; X RAY CRYSTALLOGRAPHY;

ACETATES; ALDEHYDE REDUCTASE; BROMINE; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; PHENOXYACETATES; SYNCHROTRONS; THIOAMIDES;

EID: 80052175915     PISSN: 09090495     EISSN: 16005775     Source Type: Journal    
DOI: 10.1107/S0909049511027920     Document Type: Article

References (33)

1. Allen, F. H. (2002). Acta Cryst. B58, 380-388.
2. Borek, D., Ginell, S. L., Cymborowski, M., Minor, W. & Otwinowski, Z. (2007). J. Synchrotron Rad. 14, 24-33.
3. Brünger, A. T., Adams, P. D., Clore, G. M., DeLano, W. L., Gros, P., Grosse-Kunstleve, R. W., Jiang, J.-S., Kuszewski, J., Nilges, M., Pannu, N. S., Read, R. J., Rice, L. M., Simonson, T. &Warren, G. L. (1998). Acta Cryst. D54, 905-921.
4. Calderone, V., Chevrier, B., Van Zandt, M., Lamour, V., Howard, E., Poterszman, A., Barth, P., Mitschler, A., Lu, J., Dvornik, D. M., Klebe, G., Kraemer, O., Moorman, A. R., Moras, D. & Podjarny, A. (2000). Acta Cryst. D56, 536-540.
5. Dauter, Z., Jaskolski, M. & Wlodawer, A. (2010). J. Synchrotron Rad. 17, 433-444.
6. El-Kabbani, O., Ruiz, F., Darmanin, C. & Chung, R. P. (2004). Cell. Mol. Life Sci. 61, 750-762.
7. Emsley, P. & Cowtan, K. (2004). Acta Cryst. D60, 2126-2132.
8. Ennifar, E., Carpentier, P., Ferrer, J.-L.,Walter, P. & Dumas, P. (2002). Acta Cryst. D58, 1262-1268.
9. Garman, E. F. (2010). Acta Cryst. D66, 339-351.
10. Garman, E. F. & Nave, C. (2009). J. Synchrotron Rad. 16, 129-132.
11. Howard, E., Sanishvili, R., Cachau, R., Mitschler, A., Chevrier, B., Barth, P., Lamour, V., Van Zandt, M., Sibley, E., Bon, C., Moras, D., Schneider, T., Joachimiak, A. & Podjarny, A. (2004). Proteins Struct. Funct. Bioinf. 55, 792-804.
12. Koch, C., Heine, A. & Klebe, G. (2010). J. Mol. Biol. 406, 700-712.
13. Leiros, H., Timmins, J., Ravelli, R. & McSweeney, S. (2006). Act. Cryst. D, 62, 125-132.
14. Murray, J.W., Garman, E. F. & Ravelli, R. B. G. (2004). J. Appl. Cryst. 37, 513-522.
15. Murray, J.W., Rudiñ o-Piñ era, E., Owen, R. L., Grininger, M., Ravelli, R. B. G. & Garman, E. F. (2005). J. Synchrotron Rad. 12, 268-275.
16. Nave, C. & Garman, E. F. (2005). J. Synchrotron Rad. 12, 257-260.
17. Oliéric, V., Ennifar, E., Meents, A., Fleurant, M., Besnard, C., Pattison, P., Schiltz, M., Schulze-Briese, C. & Dumas, P. (2007). Acta Cryst. D63, 759-768.
18. Otwinowski, Z. & Minor,W. (1997). Methods Enzymol. 276, 307-326.
19. Owen, R. L., Rudiñ o-Piñ era, E. & Garman, E. F. (2006). Proc. Natl Acad. Sci. USA, 103, 4912-4917.
20. Paithankar, K. S., Owen, R. L. & Garman, E. F. (2009). J. Synchrotron Rad. 16, 152-162.
21. Pape, T. & Schneider, T. R. (2004). J. Appl. Cryst. 37, 843-844.
22. Peterson, M. R., Harrop, S. J., McSweeney, S. M., Leonard, G. A., Thompson, A. W., Hunter, W. N. & Helliwell, J. R. (1996). J. Synchrotron Rad. 3, 24-34.
23. Petrova, T., Lunin, V. Y., Ginell, S., Hazemann, I., Lazarski, K., Mitschler, A., Podjarny, A. & Joachimiak, A. (2009). J. Mol. Biol. 387, 1092-1105.
24. Ravelli, R. B. & Garman, E. F. (2006). Curr. Opin. Struct. Biol. 16, 624-629.
25. Schiltz, M., Dumas, P., Ennifar, E., Flensburg, C., Paciorek, W., Vonrhein, C. & Bricogne, G. (2004). Acta Cryst. D60, 1024-1031.
26. Schneider, T. R. & Sheldrick, G. M. (2002). Acta Cryst. D58, 1772-1779.
27. Sheldrick, G. M. (2002). Z. Kristallogr. 217, 644-650.
28. Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
29. Sheldrick, G. M. (2010). Acta Cryst. D66, 479-485.
30. Sheldrick, G. M., Hauptman, H. A., Weeks, C. M., Miller, M. & Usón, I. (2001). International Tables for Crystallography, Vol. F, edited by E. Arnold and M. Rossmann, pp. 333-351. Dordrecht: Kluwer Academic Publishers.
31. Sheldrick, G. M. & Schneider, T. (1997). Methods Enzymol. 277, 319-343.
32. Singh, R.,White,M. A., Ramana, K. V., Petrash, J. M.,Watowich, S. J., Bhatnagar, A. & Srivastava, S. K. (2006). Proteins Struct. Funct. Bioinf. 64, 101-110.
33. Steuber, H., Heine, A., Podjarny, A. & Klebe, G. (2008). J. Mol. Biol. 379, 991-1016.