Steuber H - Search Results

1

Structure-based optimization of aldose reductase inhibitors originating from virtual screening.

Eisenmann M, Steuber H, Zentgraf M, Altenkämper M, Ortmann R, Perruchon J, Klebe G, Schlitzer M. Eisenmann M, et al. Among authors: steuber h. ChemMedChem. 2009 May;4(5):809-19. doi: 10.1002/cmdc.200800410. ChemMedChem. 2009. PMID: 19301313

2

High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group.

Steuber H, Zentgraf M, Podjarny A, Heine A, Klebe G. Steuber H, et al. J Mol Biol. 2006 Feb 10;356(1):45-56. doi: 10.1016/j.jmb.2005.10.067. Epub 2005 Nov 10. J Mol Biol. 2006. PMID: 16337231

3

Expect the unexpected or caveat for drug designers: multiple structure determinations using aldose reductase crystals treated under varying soaking and co-crystallisation conditions.

Steuber H, Zentgraf M, Gerlach C, Sotriffer CA, Heine A, Klebe G. Steuber H, et al. J Mol Biol. 2006 Oct 13;363(1):174-87. doi: 10.1016/j.jmb.2006.08.011. Epub 2006 Aug 9. J Mol Biol. 2006. PMID: 16952371

4

Structural and thermodynamic study on aldose reductase: nitro-substituted inhibitors with strong enthalpic binding contribution.

Steuber H, Heine A, Klebe G. Steuber H, et al. J Mol Biol. 2007 May 4;368(3):618-38. doi: 10.1016/j.jmb.2006.12.004. Epub 2006 Dec 15. J Mol Biol. 2007. PMID: 17368668

5

How reliable are current docking approaches for structure-based drug design? Lessons from aldose reductase.

Zentgraf M, Steuber H, Koch C, La Motta C, Sartini S, Sotriffer CA, Klebe G. Zentgraf M, et al. Among authors: steuber h. Angew Chem Int Ed Engl. 2007;46(19):3575-8. doi: 10.1002/anie.200603625. Angew Chem Int Ed Engl. 2007. PMID: 17394265 No abstract available.

6

Evidence for a novel binding site conformer of aldose reductase in ligand-bound state.

Steuber H, Zentgraf M, La Motta C, Sartini S, Heine A, Klebe G. Steuber H, et al. J Mol Biol. 2007 May 25;369(1):186-97. doi: 10.1016/j.jmb.2007.03.021. Epub 2007 Mar 15. J Mol Biol. 2007. PMID: 17418233

7

Tracing changes in protonation: a prerequisite to factorize thermodynamic data of inhibitor binding to aldose reductase.

Steuber H, Czodrowski P, Sotriffer CA, Klebe G. Steuber H, et al. J Mol Biol. 2007 Nov 9;373(5):1305-20. doi: 10.1016/j.jmb.2007.08.063. Epub 2007 Sep 5. J Mol Biol. 2007. PMID: 17905306

8

Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.

Steuber H, Heine A, Podjarny A, Klebe G. Steuber H, et al. J Mol Biol. 2008 Jun 20;379(5):991-1016. doi: 10.1016/j.jmb.2008.03.063. Epub 2008 Apr 8. J Mol Biol. 2008. PMID: 18495158

9

Fragment-based lead discovery: screening and optimizing fragments for thermolysin inhibition.

Englert L, Silber K, Steuber H, Brass S, Over B, Gerber HD, Heine A, Diederich WE, Klebe G. Englert L, et al. Among authors: steuber h. ChemMedChem. 2010 Jun 7;5(6):930-40. doi: 10.1002/cmdc.201000084. ChemMedChem. 2010. PMID: 20394106

10

Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors.

Kuhnert M, Köster H, Bartholomäus R, Park AY, Shahim A, Heine A, Steuber H, Klebe G, Diederich WE. Kuhnert M, et al. Among authors: steuber h. Angew Chem Int Ed Engl. 2015 Feb 23;54(9):2849-53. doi: 10.1002/anie.201411206. Epub 2015 Jan 28. Angew Chem Int Ed Engl. 2015. PMID: 25630461

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