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Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.
Ellermann M, Jakob-Roetne R, Lerner C, Borroni E, Schlatter D, Roth D, Ehler A, Rudolph MG, Diederich F. Ellermann M, et al. Among authors: rudolph mg. Angew Chem Int Ed Engl. 2009;48(48):9092-6. doi: 10.1002/anie.200904410. Angew Chem Int Ed Engl. 2009. PMID: 19882607 No abstract available.
Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors.
Ellermann M, Lerner C, Burgy G, Ehler A, Bissantz C, Jakob-Roetne R, Paulini R, Allemann O, Tissot H, Grünstein D, Stihle M, Diederich F, Rudolph MG. Ellermann M, et al. Among authors: rudolph mg. Acta Crystallogr D Biol Crystallogr. 2012 Mar;68(Pt 3):253-60. doi: 10.1107/S0907444912001138. Epub 2012 Feb 14. Acta Crystallogr D Biol Crystallogr. 2012. PMID: 22349227
Mapping the conformational space accessible to catechol-O-methyltransferase.
Ehler A, Benz J, Schlatter D, Rudolph MG. Ehler A, et al. Among authors: rudolph mg. Acta Crystallogr D Biol Crystallogr. 2014 Aug;70(Pt 8):2163-74. doi: 10.1107/S1399004714012917. Epub 2014 Jul 25. Acta Crystallogr D Biol Crystallogr. 2014. PMID: 25084335 Free PMC article.
Correction to Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
Lerner C, Jakob-Roetne R, Buettelmann B, Ehler A, Rudolph MG, Rodríguez Sarmiento RM. Lerner C, et al. Among authors: rudolph mg. J Med Chem. 2017 May 11;60(9):4099. doi: 10.1021/acs.jmedchem.7b00613. Epub 2017 Apr 27. J Med Chem. 2017. PMID: 28448141 No abstract available.
A Real-World Perspective on Molecular Design.
Kuhn B, Guba W, Hert J, Banner D, Bissantz C, Ceccarelli S, Haap W, Körner M, Kuglstatter A, Lerner C, Mattei P, Neidhart W, Pinard E, Rudolph MG, Schulz-Gasch T, Woltering T, Stahl M. Kuhn B, et al. Among authors: rudolph mg. J Med Chem. 2016 May 12;59(9):4087-102. doi: 10.1021/acs.jmedchem.5b01875. Epub 2016 Feb 24. J Med Chem. 2016. PMID: 26878596
Small molecule AX-024 reduces T cell proliferation independently of CD3ϵ/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
Richter K, Rufer AC, Muller M, Burger D, Casagrande F, Grossenbacher T, Huber S, Hug MN, Koldewey P, D'Osualdo A, Schlatter D, Stoll T, Rudolph MG. Richter K, et al. Among authors: rudolph mg. J Biol Chem. 2020 Jun 5;295(23):7849-7864. doi: 10.1074/jbc.RA120.012788. Epub 2020 Apr 21. J Biol Chem. 2020. PMID: 32317279 Free PMC article.
Reply to Alarcon and Borroto: Small molecule AX-024 reduces T cell proliferation independently of CD3ε-Nck1 interaction at SH3.1.
Richter K, Rufer AC, Muller M, Burger D, Casagrande F, Grossenbacher T, Huber S, Hug MN, Koldewey P, D'Osualdo A, Schlatter D, Stoll T, Rudolph MG. Richter K, et al. Among authors: rudolph mg. J Biol Chem. 2020 Jul 17;295(29):10077. doi: 10.1074/jbc.RL120.014441. J Biol Chem. 2020. PMID: 32680972 Free PMC article. No abstract available.
86 results