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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: diederich f. 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.
X-ray Crystal Structure of a Bisubstrate Inhibitor Bound to the Enzyme Catechol-O-methyltransferase: A Dramatic Effect of Inhibitor Preorganization on Binding Affinity We thank F. Hoffmann-La Roche for generous support of this work. We are grateful to P. Malherbe for the cloning of COMT, P. Caspers for the expression of COMT, A. Cesura for enzyme purification, B. Wipf for fermentation, and H. W. Lahm for sequencing.
Lerner C, Ruf A, Gramlich V, Masjost B, Zürcher G, Jakob-Roetne R, Borroni E, Diederich F. Lerner C, et al. Among authors: diederich f. Angew Chem Int Ed Engl. 2001 Nov 5;40(21):4040-4042. Angew Chem Int Ed Engl. 2001. PMID: 12404486 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: diederich f. 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
X-ray Crystal Structure of a Bisubstrate Inhibitor Bound to the Enzyme Catechol-O-methyltransferase: A Dramatic Effect of Inhibitor Preorganization on Binding Affinity.
Lerner C, Ruf A, Gramlich V, Masjost B, Zürcher G, Jakob-Roetne R, Borroni E, Diederich F. Lerner C, et al. Among authors: diederich f. Angew Chem Int Ed Engl. 2001 Nov 5;40(21):4040-4042. doi: 10.1002/1521-3773(20011105)40:21<4040::AID-ANIE4040>3.0.CO;2-C. Angew Chem Int Ed Engl. 2001. PMID: 29712241
Quantification of cation-pi interactions in protein-ligand complexes: crystal-structure analysis of Factor Xa bound to a quaternary ammonium ion ligand.
Schärer K, Morgenthaler M, Paulini R, Obst-Sander U, Banner DW, Schlatter D, Benz J, Stihle M, Diederich F. Schärer K, et al. Among authors: diederich f. Angew Chem Int Ed Engl. 2005 Jul 11;44(28):4400-4. doi: 10.1002/anie.200500883. Angew Chem Int Ed Engl. 2005. PMID: 15952226 No abstract available.
340 results