Creation of a S1P Lyase bacterial surrogate for structure-based drug design

Bioorganic and Medicinal Chemistry Letters

Volumn 26, Issue 9, 2016, Pages 2293-2296

  Argiriadi, Maria A ^a   Banach, David ^a   Radziejewska, Elzbieta ^a   Marchie, Susan ^a   Dimauro, Jennifer ^a   Dinges, Jurgen ^a   Dominguez, Eric ^a   Hutchins, Charles ^a   Judge, Russell A ^a   Queeney, Kara ^a   Wallace, Grier ^a   Harris, Christopher M ^a  

^a ABBVIE INC   (United States)

Author keywords

Crystal structure; Homology modeling; S1P Lyase; Site directed mutagenesis

Indexed keywords

ANTIINFECTIVE AGENT; BACTERIAL PROTEIN; CHIMERIC PROTEIN; ISOXAZOLE; N [1 [4 (3 HYDROXYPROP 1 YN 1 YL)PHENYL) 2 ((4 METHOXY 2,5 DIMETHYLBENZYL)AMINO]ETHYL] 5 METHYLISOZAZOLE 3 CARBOXAMIDE; N [2 ((4 METHOXY 2,5 DIMETHYLBENZYL)AMINO) 1 PHENYLETHYL] 5 METHYLISOXAZOLE 3 CARBOXAMIDE; PROTEIN INHIBITOR; REAGENT; SPHINGOSINE 1 PHOSPHATE; UNCLASSIFIED DRUG; LYASE; SPHINGOSINE 1-PHOSPHATE LYASE (ALDOLASE);

ARTICLE; BACTERIUM; BACTERIUM MUTANT; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DRUG DESIGN; NONHUMAN; PROTEIN STRUCTURE; SITE DIRECTED MUTAGENESIS; STRUCTURE ANALYSIS; SYMBIOBACTERIUM THERMOPHILUM; X RAY ANALYSIS; CHEMISTRY; ENZYMOLOGY; ESCHERICHIA COLI; METABOLISM; X RAY CRYSTALLOGRAPHY;

ALDEHYDE-LYASES; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ESCHERICHIA COLI;

EID: 84961279085     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2016.02.084     Document Type: Article

References (10)

1. S.R. Schwab, J.P. Pereira, M. Matloubian, Y. Xu, Y. Huang, and J.G. Cyster Science 309 2005 1735
2. P. Vogel, M.S. Donoviel, R. Read, G.M. Hansen, J. Hazlewood, S.J. Anderson, W. Sun, J. Swaffield, and T. Oravecz PLoS One 4 2009 e4112
3. J.T. Bagdanoff, M.S. Donoviel, A. Nouraldeen, J. Tarver, Q. Fu, M. Carlsen, T.C. Jessop, H. Zhang, J. Hazelwood, H. Nguyen, S.D. Baugh, M. Gardyan, K.M. Terranova, J. Barbosa, J. Yan, M. Bednarz, S. Layek, L.F. Courtney, J. Taylor, A.M. Digeorge-Foushee, S. Gopinathan, D. Bruce, T. Smith, L. Moran, E. O'Neill, J. Kramer, Z. Lai, S.D. Kimball, Q. Liu, W. Sun, S. Yu, J. Swaffield, A. Wilson, A. Main, K.G. Carson, T. Oravecz, and D.J. Augeri J. Med. Chem. 52 2009 3941
4. S. Weiler, N. Braendlin, C. Beerli, C. Bergsdorf, A. Schubart, H. Srinivas, B. Oberhauser, and A. Billich J. Med. Chem. 57 2014 5074
5. P.P. Van Veldhoven, and G.P. Mannaerts Adv. Lipid. Res. 26 1993 69
6. F. Bourquin, H. Riezman, G. Capitani, and M.G. Grutter Structure 18 2010 1054
7. C. Bedia, L. Camacho, J. Casas, J.L. Abad, A. Delgado, P.P. Van Veldhoven, and G. Fabriàs Chem. Biol. Chem. 10 2009 820
8. Atomic coordinates and structure factors have been deposited to the Protein Data Bank (www.rcsb.org). PDB codes are 5EUE and 5EUD.
9. Beck, G.; Chen, Y.-F.; Dere, W.; Devanarayan, V.; Eastwood, B.J.; Farmen, M.W.; Iturria, S.J.; Iversen, P.W.; Kahl, S.D.; Moore, R.A.; Sawyer, B.D.; Weidner, J. Assay Operations for SAR Support. 2012 May 1 [Updated 2012 Oct 1]. Sittampalam, G.S.; Coussens, N.P.; Nelson, H.; Arkin, M.; Auld, D.; Austin, C.; Bejcek, B.; Glicksman, M.; Inglese, J.; Iversen, P.W.; Li, Z.; McGee, J.; McManus, O.; Minor, L.; Napper, A.; Peltier, J.M.; Riss, T.; Trask, O.J. Jr.; Weidner, J.;. editors. Assay Guidance Manual [Internet]. Bethesda (MD): Eli Lilly & Company and the National Center for Advancing Translational Sciences; 2004-. Available from: http://www.ncbi.nlm.nih.gov/books/NBK91994/.
10. The PyMOL Molecular Graphics System, Version 1.2r3pre, Schrödinger LLC.