One Crystal, Two Temperatures: Cryocooling Penalties Alter Ligand Binding to Transient Protein Sites

ChemBioChem

Volumn 16, Issue 11, 2015, Pages 1560-1564

  Fischer, Marcus ^a   Shoichet, Brian K ^a   Fraser, James S ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

allosterism; biophysics; ligand discovery; structural biology; thermodynamics; X ray diffraction

Indexed keywords

BENZIMIDAZOLE; HEXYLENE GLYCOL; LIQUID NITROGEN; PROTEIN; APOPROTEIN; BENZIMIDAZOLE DERIVATIVE; CYTOCHROME C PEROXIDASE; LIGAND; PROTEIN BINDING;

ALLOSTERISM; ARTICLE; BINDING AFFINITY; BINDING SITE; CHEMICAL COMPOSITION; CONFORMATIONAL TRANSITION; COOLING; CRYSTAL; CRYSTAL STRUCTURE; GLASS TRANSITION TEMPERATURE; LIGAND BINDING; LIMIT OF DETECTION; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE; ROOM TEMPERATURE; TEMPERATURE SENSITIVITY; X RAY CRYSTALLOGRAPHY; CHEMISTRY; COLD; METABOLISM; MOLECULAR MODEL;

APOPROTEINS; BENZIMIDAZOLES; BINDING SITES; COLD TEMPERATURE; CRYSTALLOGRAPHY, X-RAY; CYTOCHROME-C PEROXIDASE; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION;

EID: 84937251508     PISSN: 14394227     EISSN: 14397633     Source Type: Journal    
DOI: 10.1002/cbic.201500196     Document Type: Article

References (26)

1. M. Fischer, R. E. Hubbard, Mol. Interventions 2009, 9, 22-30.
2. P. J. Hajduk, R. P. Meadows, S. W. Fesik, Science 1997, 278, 497-499.
3. C. W. Murray, M. L. Verdonk, D. C. Rees, Trends Pharmacol. Sci. 2012, 33, 224-232
4. C. Lipinski, A. Hopkins, Nature 2004, 432, 855-861.
5. D. Patel, J. D. Bauman, E. Arnold, Prog. Biophys. Mol. Biol. 2014, 116, 92-100.
6. E. Garman, Curr. Opin. Struct. Biol. 2003, 13, 545-551.
7. T. G. Davies, I. J. Tickle, Top. Curr. Chem. 2012, 317, 33-59.
8. J. D. Bauman, D. Patel, C. Dharia, M. W. Fromer, S. Ahmed, Y. Frenkel, R. S. Vijayan, J. T. Eck, W. C. Ho, K. Das, A. J. Shatkin, E. Arnold, J. Med. Chem. 2013, 56, 2738-2746.
9. J. D. Sadowsky, M. A. Burlingame, D. W. Wolan, C. L. McClendon, M. P. Jacobson, J. A. Wells, Proc. Natl. Acad. Sci. USA 2011, 108, 6056-6061.
10. G. R. Bowman, P. L. Geissler, Proc. Natl. Acad. Sci. USA 2012, 109, 11681-11686.
11. J. S. Fraser, M. W. Clarkson, S. C. Degnan, R. Erion, D. Kern, T. Alber, Nature 2009, 462, 669-673
12. J. S. Fraser, H. van den Bedem, A. J. Samelson, P. T. Lang, J. M. Holton, N. Echols, T. Alber, Proc. Natl. Acad. Sci. USA 2011, 108, 16247-16252.
13. M. Fischer, R. G. Coleman, J. S. Fraser, B. K. Shoichet, Nat. Chem. 2014, 6, 575-583.
14. B. Halle, Proc. Natl. Acad. Sci. USA 2004, 101, 4793-4798.
15. S. D. Rader, D. A. Agard, Protein Sci. 1997, 6, 1375-1386
16. R. F. Tilton, Jr., J. C. Dewan, G. A. Petsko, Biochemistry 1992, 31, 2469-2481.
17. A. Gumiero, E. J. Murphy, C. L. Metcalfe, P. C. Moody, E. L. Raven, Arch. Biochem. Biophys. 2010, 500, 13-20.
18. P. T. Lang, H.-L. Ng, J. S. Fraser, J. E. Corn, N. Echols, M. Sales, J. M. Holton, T. Alber, Protein Sci. 2010, 19, 1420-1431.
19. S. Barelier, S. E. Boyce, I. Fish, M. Fischer, D. B. Goodin, B. K. Shoichet, PLoS One 2013, 8, e 69153
20. G. J. Rocklin, S. E. Boyce, M. Fischer, I. Fish, D. L. Mobley, B. K. Shoichet, K. A. Dill, J. Mol. Biol. 2013, 425, 4569-4583.
21. A. N. Volkov, P. Nicholls, J. A. Worrall, Biochim. Biophys. Acta Bioenerg. 2011, 1807, 1482-1503.
22. A. L. Hopkins, C. R. Groom, A. Alex, Drug Discovery Today 2004, 9, 430-431.
23. H. van den Bedem, G. Bhabha, K. Yang, P. E. Wright, J. S. Fraser, Nat. Methods 2013, 10, 896-902.
24. K. D. Miner, T. D. Pfister, P. Hosseinzadeh, N. Karaduman, L. J. Donald, P. C. Loewen, Y. Lu, A. Ivancich, Biochemistry 2014, 53, 3781-3789.
25. E. J. Murphy, C. L. Metcalfe, C. Nnamchi, P. C. Moody, E. L. Raven, FEBS J. 2012, 279, 1632-1639.
26. A. L. Hopkins, C. R. Groom, Nat. Rev. Drug. Discov. 2002, 1, 727-730.