Jakob-Roetne R - Search Results

1

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: jakob roetne r. 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.

2

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. Angew Chem Int Ed Engl. 2001 Nov 5;40(21):4040-4042. Angew Chem Int Ed Engl. 2001. PMID: 12404486 No abstract available.

3

Bisubstrate inhibitors for the enzyme catechol-O-methyltransferase (COMT): influence of inhibitor preorganisation and linker length between the two substrate moieties on binding affinity.

Lerner C, Masjost B, Ruf A, Gramlich V, Jakob-Roetne R, Zürcher G, Borroni E, Diederich F. Lerner C, et al. Org Biomol Chem. 2003 Jan 7;1(1):42-9. doi: 10.1039/b208690p. Org Biomol Chem. 2003. PMID: 12929389

4

Bisubstrate inhibitors of the enzyme catechol O-methyltransferase (COMT): efficient inhibition despite the lack of a nitro group.

Paulini R, Lerner C, Jakob-Roetne R, Zürcher G, Borroni E, Diederich F. Paulini R, et al. Chembiochem. 2004 Sep 6;5(9):1270-4. doi: 10.1002/cbic.200400084. Chembiochem. 2004. PMID: 15368579 No abstract available.

5

Bisubstrate inhibitors of catechol O-methyltransferase (COMT): the crucial role of the ribose structural unit for inhibitor binding affinity.

Paulini R, Trindler C, Lerner C, Brändli L, Schweizer WB, Jakob-Roetne R, Zürcher G, Borroni E, Diederich F. Paulini R, et al. ChemMedChem. 2006 Mar;1(3):340-57. doi: 10.1002/cmdc.200500065. ChemMedChem. 2006. PMID: 16892369

6

Molecular recognition at the active site of catechol-O-methyltransferase (COMT): adenine replacements in bisubstrate inhibitors.

Ellermann M, Paulini R, Jakob-Roetne R, Lerner C, Borroni E, Roth D, Ehler A, Schweizer WB, Schlatter D, Rudolph MG, Diederich F. Ellermann M, et al. Among authors: jakob roetne r. Chemistry. 2011 May 27;17(23):6369-81. doi: 10.1002/chem.201003648. Epub 2011 Apr 27. Chemistry. 2011. PMID: 21538606

7

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: jakob roetne r. 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

8

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. 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

9

Structure-based design, synthesis, and in vitro evaluation of bisubstrate inhibitors for catechol O-methyltransferase (COMT).

Masjost B, Ballmer P, Borroni E, Zürcher G, Winkler FK, Jakob-Roetne R, Diederich F. Masjost B, et al. Chemistry. 2000 Mar 17;6(6):971-82. doi: 10.1002/(sici)1521-3765(20000317)6:6<971::aid-chem971>3.0.co;2-0. Chemistry. 2000. PMID: 10785817

10

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 M, Rodríguez Sarmiento RM. Lerner C, et al. Among authors: jakob roetne r. J Med Chem. 2016 Nov 23;59(22):10163-10175. doi: 10.1021/acs.jmedchem.6b00927. Epub 2016 Oct 14. J Med Chem. 2016. PMID: 27685665

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