Heine A - Search Results

1

Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK_a Shifts Mislead Popular Bioisosterism Concepts.

Oebbeke M, Siefker C, Wagner B, Heine A, Klebe G. Oebbeke M, et al. Among authors: heine a. Angew Chem Int Ed Engl. 2021 Jan 4;60(1):252-258. doi: 10.1002/anie.202011295. Epub 2020 Oct 29. Angew Chem Int Ed Engl. 2021. PMID: 33021032 Free PMC article.

2

Flexible adaptations in the structure of the tRNA-modifying enzyme tRNA-guanine transglycosylase and their implications for substrate selectivity, reaction mechanism and structure-based drug design.

Brenk R, Stubbs MT, Heine A, Reuter K, Klebe G. Brenk R, et al. Among authors: heine a. Chembiochem. 2003 Oct 6;4(10):1066-77. doi: 10.1002/cbic.200300644. Chembiochem. 2003. PMID: 14523925

3

Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.

Weber A, Casini A, Heine A, Kuhn D, Supuran CT, Scozzafava A, Klebe G. Weber A, et al. Among authors: heine a. J Med Chem. 2004 Jan 29;47(3):550-7. doi: 10.1021/jm030912m. J Med Chem. 2004. PMID: 14736236

4

Structural insights into the neuroprotective-acting carbonyl reductase Sniffer of Drosophila melanogaster.

Sgraja T, Ulschmid J, Becker K, Schneuwly S, Klebe G, Reuter K, Heine A. Sgraja T, et al. Among authors: heine a. J Mol Biol. 2004 Oct 1;342(5):1613-24. doi: 10.1016/j.jmb.2004.08.020. J Mol Biol. 2004. PMID: 15364585

5

An old target revisited: two new privileged skeletons and an unexpected binding mode for HIV-protease inhibitors.

Specker E, Böttcher J, Lilie H, Heine A, Schoop A, Müller G, Griebenow N, Klebe G. Specker E, et al. Among authors: heine a. Angew Chem Int Ed Engl. 2005 May 13;44(20):3140-4. doi: 10.1002/anie.200462643. Angew Chem Int Ed Engl. 2005. PMID: 15822136 No abstract available.

6

Metal ions as cofactors for the binding of inhibitors to methionine aminopeptidase: a critical view of the relevance of in vitro metalloenzyme assays.

Schiffmann R, Heine A, Klebe G, Klein CD. Schiffmann R, et al. Among authors: heine a. Angew Chem Int Ed Engl. 2005 Jun 6;44(23):3620-3. doi: 10.1002/anie.200500592. Angew Chem Int Ed Engl. 2005. PMID: 15880695 No abstract available.

7

Hydroxyethylene sulfones as a new scaffold to address aspartic proteases: design, synthesis, and structural characterization.

Specker E, Böttcher J, Heine A, Sotriffer CA, Lilie H, Schoop A, Müller G, Griebenow N, Klebe G. Specker E, et al. Among authors: heine a. J Med Chem. 2005 Oct 20;48(21):6607-19. doi: 10.1021/jm050224y. J Med Chem. 2005. PMID: 16220977

8

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. Among authors: heine a. 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

9

Unexpected novel binding mode of pyrrolidine-based aspartyl protease inhibitors: design, synthesis and crystal structure in complex with HIV protease.

Specker E, Böttcher J, Brass S, Heine A, Lilie H, Schoop A, Müller G, Griebenow N, Klebe G. Specker E, et al. Among authors: heine a. ChemMedChem. 2006 Jan;1(1):106-17. doi: 10.1002/cmdc.200500008. ChemMedChem. 2006. PMID: 16892342

10

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. Among authors: heine a. 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

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