Publications
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Hoch U, Lynch J, Sato Y, Kashimoto S, Kajikawa F, Furutani Y, Silverman JA. Voreloxin, formerly SNS-595, has potent activity against a broad panel of cancer cell lines and in vivo tumor models. Cancer Chemother Pharmacol. 2008 Oct 19. [Epub ahead of print]
Elling RA, Tangonan BT, Penny DM, Smith JT, Vincent DE, Hansen SK, O'Brien T, Romanowski MJ. Mouse Aurora A: expression in Escherichia coli and purification. Protein expression and purification. 2007 Jul;54(1):139-46. Epub 2007 Mar 12
Cancilla, M. T., Erlanson, D. A. Tethering: Fragment-based drug discovery by mass spectrometry, pp. 305-320 in Methods and Principles in Medicinal Chemistry Volume 36: Mass Spectrometry in Medicinal Chemistry, Wanner, K. and Höfner, G, eds. Wiley-VCH (Weinheim, Germany, 2007). Series editors Mannhold, R., Kubinyi, H., Folkers, G.
Shiau TP, Erlanson DA, Gordon EM. Selective reduction of peptide isothiazolidin-3-ones. Organic letters. 2006 Dec 7;8(25):5697-9
Erlanson DA. Fragment-based lead discovery: a chemical update. Current opinion in biotechnology. 2006 Dec;17(6):643-52. Epub 2006 Nov 3. Review
Jahnke, W. and Erlanson, D. A., eds Methods and Principles in Medicinal Chemistry Volume 34: Fragment-based Approaches in Drug Discovery. Wiley-VCH (Weinheim, Germany, 2006). Series editors Mannhold, R., Kubinyi, H., Folkers, G.
Thanos CD, DeLano WL, Wells JA. Hot-spot mimicry of a cytokine receptor by a small molecule. Proceedings of the National Academy of Sciences of the United States of America. 2006 Oct 17;103(42):15422-7. Epub 2006 Oct 10
O'Brien T, Fahr BT, Sopko MM, Lam JW, Waal ND, Raimundo BC, Purkey HE, Pham P, Romanowski MJ. Structural analysis of caspase-1 inhibitors derived from Tethering. Acta crystallographica. Section F, Structural biology and crystallization communications. 2005 May 1;61(Pt 5):451-8. Epub 2005 Apr 9
Yang W, Lu W, Lu Y, Zhong M, Sun J, Thomas AE, Wilkinson JM, Fucini RV, Lam M, Randal M, Shi XP, Jacobs JW, McDowell RS, Gordon EM, Ballinger MD. Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1. Journal of medicinal chemistry. 2006 Feb 9;49(3):839-42
Fahr BT, O'Brien T, Pham P, Waal ND, Baskaran S, Raimundo BC, Lam JW, Sopko MM, Purkey HE, Romanowski MJ. Tethering identifies fragment that yields potent inhibitors of human caspase-1. Bioorganic & medicinal chemistry letters. 2006 Feb;16(3):559-62. Epub 2005 Nov 4
Yoburn JC, Baskaran S. Chemoselective arylamidine cyclizations: mild formation of 2-arylimidazole-4-carboxylic acids. Organic letters. 2005 Aug 18;7(17):3801-3
He, M. M., Smith A., Oslob J.D., Flanagan W.M., Braised, A. C., Whitty, A., Cancilla M. T., Wang, J., Lugovskoy, A.A., Yoburn, J.C., Fung, A. D., Farrington G., Eldredge, J.K., Day, E.S., Cruz, L.A., Cachero, T. G., Miller, S.K., Friedman, J.E., Choong I. C, and Cunningham, B. C. (2005) Small Molecule Inhibition of TNF-a. Science 310: 1022-1025
M.R. Arkin, "Protein-protein interactions and cancer: small molecules going in for the kill", Current Opinion in Chemical Biology, 9, 317-324 (2005).
Hansen, S., Cancilla, M., Shiau, T., Kung, J., Chen, T. and Erlanson, D. "Allosteric inhibition of PTP1B activity by selective modification of a non-active site cysteine residue", Biochemistry, 44: 7704-7712 (2005).
Buck, E., Bourne, H. and Wells, J. "Site-specific disulfide capture of agonist and antagonist peptides on the C5a receptor", Journal of Biological Chemistry, 280: 4009-4012 (2005)
Buck, E. and Wells, J. "Disulfide trapping to localize small-molecule agonists and antagonists for a G protein-coupled receptor", Proceedings of the National Academy of Sciences, 102: 2719-2724 (2005)
Scheer, J.M., Wells, J.A. and Romanowski, M.J. "Malonate-assisted purification of human caspases", Protein Expression and Purification, 41:148-153 (2005).
O'Brien, T., Fahr, B.T., Sopko, M.M., Lam, J.W., Waal, N.D., Raimundo, B.C., Purkey, H.E., Pham, P. and Romanowski, M.J. "Structural analysis of caspase-1 inhibitors derived from Tethering", Acta Crystallographica, F61:451-458 (2005).
Waal, N., Yang, W., Oslob, J., Arkin, M., Hyde, J., Lu, W., McDowell, R., Yu, C. and Raimundo, B. "Identification of nonpeptidic small-molecule inhibitors of interleukin-2", Bioorganic and Medicinal Chemistry Letters, 15: 983-987 (2005).
M.R. Arkin, "Sedimentation for success", Modern Drug Discovery, 45-47 (November, 2004)
Hardy, J. and Wells, J. "Searching for new allosteric sites in enzymes", Current Opinion in Structural Biology, 14: 706-715 (2004).
Oslob, J. and Erlanson, D. "Tethering in early target assessment", Drug Discovery Today: Targets, 3: 143-150 (2004).
Hardy, J., Lam, J., Nguyen J., O'Brien, T. and Wells, J. "Discovery of an allosteric site in the caspases", Proceedings of the National Academy of Sciences, 101: 12461-12466 (2004).
Wiesmann, C., Barr, K., Kung, J., Zhu, J., Erlanson, D., Shen, W., Fahr, B., Zhong, M., Taylor, L., Randal, M., McDowell, R. and Hansen, S. "Allosteric inhibition of protein tyrosine phosphatase 1B", Nature Structural & Molecular Biology, 11: 730-737 (2004).
Erlanson, D. and Hansen, S. "Making drugs on proteins: site-directed ligand discovery for fragment-based lead assembly", Current Opinion in Chemical Biology, 8: 399-406 (2004).
Romanowski, M.J., Scheer, J., O'Brien, T and McDowell, R. "Crystal Structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding", Structure, 12: 1361-1371 (2004).
Raimundo, B., Oslob, J., Braisted, A., Hyde, J., McDowell, R., Randal, M., Waal, N., Wilkinson, J., Yu, C. and Arkin, M. "Integrating fragment assembly and biophysical methods in the chemical advancement of small-molecule antagonists of IL-2: an approach for inhibiting protein-protein interactions ", J. Med. Chem. 47: 3111-3130 (2004).
Erlanson, D., McDowell, R., and O'Brien, T. "Fragment-based drug discovery", J. Med. Chem. 47: 3463-3482 (2004).
Erlanson, D., Wells, J. and Braisted, A. "Tethering: Fragment-Based Drug Discovery", Annu. Rev. Biophys. Biomol. Struct., 33: 199-223 (2004).
Stroud, R. and Wells, J. "Mechanistic diversity of cytokine receptor signaling across cell membranes", Sci. STKE, re7 (2004).
Arkin, M. and Wells, J. "Small-molecule inhibitors of protein-protein interactions: progressing towards the dream", Nature Reviews Drug Discovery, 3: 301-317 (2004).
O'Brien, T. and Lee, D. "Prospects for Caspase Inhibitors", Mini-Reviews in Medicinal Chemistry, 4: 153-165 (2004).
Baskaran, S., Hanan, E. Byun, D. and Shen, W. "A facile reduction of 2-aminopyrimidines with triethylsilane and trifluoroacetic acid", Tetrahedron Letters, 45: 2107-2111 (2004).
Thanos, C., Randal, M., and Wells, J. "Potent small-molecule binding to a dynamic hot spot on IL-2", Journal of American Chemical Society, 125: 15280-15281 (2003).
Allen, D., Pham, Pl, Choong, I., Fahr, B., Burdett, M., Lew, W., DeLano, W., Gordon, E., Lam, J., O'Brien, T., and Lee, D. "Identification of potent and novel small-molecule inhibitors of caspase-3", Biorganic and Medicinal Chemistry Letters, 13: 3651-3655 (2003).
Nguyen, J. and Wells, J. "Direct activation of the apoptosis machinery as a mechanism to target cancer cells", Proceedings of the National Academy of Sciences, USA 100 (13): 7533-7538 (2003).
Hyde, J., Braisted, A., Randal, M., and Arkin, M. "Discovery and characterization of cooperative ligand binding in the adaptive region of interleukin-2", Biochemistry, 42 (21): 6475-6483 (2003).
Erlanson, D. A., McDowell, R. S., He, M. H., Randal, M., Simmons, R. L., Kung, J., Waight, A., Hansen, S. "Discovery of a new phosphotyrosine mimetic for PTP1B using breakaway Tethering(SM)" J. Am. Chem. Soc. 125(19) 5602-5603 (2003)
Braisted, A., Oslob, J., Delano, W., Hyde, J., McDowell, R., Waal, N., Yu, C., Arkin, M., and Raimundo, B. "Discovery of a Potent Small Molecule IL-2 Inhibitor through Fragment Assembly" J. Am. Chem. Soc. 125: 3714 - 3715 (2003)
Erlanson, D., Lam, J., Wiesmann, C., Luong, T., Simmons, R., DeLano, W., Choong, I., Burdett, M., Flanagan, M., Lee, D., Gordon, E., and O'Brien, T. "In situ assembly of enzyme inhibitors using extended tethering" Nature Biotechnology21: 308-314 (2003)
Arkin, M., Randal, M., DeLano, W., Hyde, J., Luong, T., Oslob, J., Raphael, D., Taylor, L., Wang, J., McDowell, R., Wells, J. and Braisted, A. "Binding of small molecules to an adaptive protein-protein interface" Proceedings of the National Academy of Sciences, USA 100: 1603-1608 (2003)
Choong, I.C., Lew, W., Lee, D., Pham, P., Burdett, M.T., Lam, J.W., Wiesmann, C., Luong, T.N., Fahr, B., DeLano, W.L., McDowell, R.S., Allen, D.A., Erlanson, D.A., Gordon, E.M. and O'Brien, T. "Identification of Potent and Selective Small-Molecule Inhibitors of Caspase-3 through the Use of Extended Tethering® and Structure-Based Drug Design" J. Med. Chem. 45: 5005-5022 (2002)
DeLano W.L. "Unraveling hot spots in binding interfaces: progress and challenges" Curr. Opin. Stru. Biol. 12:14-20 (2002)
Arkin, M. and Lear, J.D. "A New Data Analysis Method to Determine Binding Constants of Small Molecules to Proteins Using Equilibrium Analytical Ultracentrifugation with Absorption Optics" Analytical Biochemistry 299, 98-107 (2001)
Delano, W.L, Ultsch, M.H., De Vos, A.A., Wells, J.A "Convergent Solutions to Binding at a Protein-Protein Interface" Science 287: 1279-1283 (2000)
Erlanson, D.A., Braisted, A.C., Raphael, D.R., Randal, M., Stroud, R.M., Gordon, E.M., Wells, J.A. "Site-Directed Ligand Discovery" PNAS 19: 9367-9372. (2000)
Clackson, T., Ultsch, M., Wells, J.A. and De Vos, A.A. "Structural and Functional Analysis of the 1:1 Growth Hormone:Receptor Complex Reveals the Molecular Basis for Receptor Affinity" J. Mol. Biol. 277: 1111-1128. (1998)
Atwell, S., Ultsch, M., De Vos, A.M. and Wells, J.A. "Structural Plasticity in a Remodeled Protein-Protein Interface" Science 278: 1124-1127 (1997)
Clackson, T. and Wells, J.A. "A Hot Spot of Binding Energy in a Hormone-Receptor Interface" Science 267, 383-386 (1995)
Cunningham, B.C. and Wells, J.A. "Comparison of a Structural and Functional Epitope" J. Mol. Biol. 234: 554-563 (1993)
