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Multiple and single binding modes of fragment-like kinase inhibitors revealed by molecular modeling, residue type-selective protonation, and nuclear overhauser effects.
Constantine KL, Mueller L, Metzler WJ, McDonnell PA, Todderud G, Goldfarb V, Fan Y, Newitt JA, Kiefer SE, Gao M, Tortolani D, Vaccaro W, Tokarski J. Constantine KL, et al. Among authors: metzler wj. J Med Chem. 2008 Oct 9;51(19):6225-9. doi: 10.1021/jm800747w. Epub 2008 Sep 5. J Med Chem. 2008. PMID: 18771253
Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: observation of extensive dynamics in an enzyme/inhibitor complex.
Kim SH, Constantine KL, Duke GJ, Goldfarb V, Hunt JT, Johnson S, Kish K, Klei HE, McDonnell PA, Metzler WJ, Mueller L, Poss MA, Fairchild CR, Bhide RS. Kim SH, et al. Among authors: metzler wj. Bioorg Med Chem Lett. 2013 Jul 15;23(14):4107-11. doi: 10.1016/j.bmcl.2013.05.052. Epub 2013 May 23. Bioorg Med Chem Lett. 2013. PMID: 23747226
Assessing compound binding to the Eg5 motor domain using a thermal shift assay.
McDonnell PA, Yanchunas J, Newitt JA, Tao L, Kiefer SE, Ortega M, Kut S, Burford N, Goldfarb V, Duke GJ, Shen H, Metzler W, Doyle M, Chen Z, Tarby C, Borzilleri R, Vaccaro W, Gottardis M, Lu S, Crews D, Kim K, Lombardo L, Roussell DL. McDonnell PA, et al. Anal Biochem. 2009 Sep 1;392(1):59-69. doi: 10.1016/j.ab.2009.05.044. Epub 2009 Jun 2. Anal Biochem. 2009. PMID: 19497292
Refined solution structure of human profilin I.
Metzler WJ, Farmer BT 2nd, Constantine KL, Friedrichs MS, Lavoie T, Mueller L. Metzler WJ, et al. Protein Sci. 1995 Mar;4(3):450-9. doi: 10.1002/pro.5560040312. Protein Sci. 1995. PMID: 7795529 Free PMC article.
Cloning, purification, crystallization and preliminary X-ray analysis of the catalytic domain of human receptor-like protein tyrosine phosphatase γ in three different crystal forms.
Kish K, McDonnell PA, Goldfarb V, Gao M, Metzler WJ, Langley DR, Bryson JW, Kiefer SE, Carpenter B, Kostich WA, Westphal RS, Sheriff S. Kish K, et al. Among authors: metzler wj. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2011 Jul 1;67(Pt 7):768-74. doi: 10.1107/S1744309111017209. Epub 2011 Jun 30. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2011. PMID: 21795790 Free PMC article.
39 results