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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: borroni e. 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
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: borroni e. 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.
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