A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II

by Steffen Glöckner, Andreas Heine, Gerhard Klebe
Published 2020-03-01

Effective depth-of-penetration range due to hardness variation for different lots of nominally identical target material

by Patrick Frueh, Andreas Heine, Karl Ernst Weber, Matthias Wickert
Published 2016-04-01

The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II

by Steffen Glöckner, Khang Ngo, Björn Wagner, Andreas Heine, Gerhard Klebe
Published 2020-03-01

Synthesis of 5-hydroxyectoine from ectoine: crystal structure of the non-heme iron(II) and 2-oxoglutarate-dependent dioxygenase EctD.

by Klaus Reuter, Marco Pittelkow, Jan Bursy, Andreas Heine, Tobias Craan, Erhard Bremer
Published 2010-05-01

Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes

by Johannes Schiebel, Roberto Gaspari, Tobias Wulsdorf, Khang Ngo, Christian Sohn, Tobias E. Schrader, Andrea Cavalli, Andreas Ostermann, Andreas Heine, Gerhard Klebe
Published 2018-09-01

Soaking suggests "alternative facts": Only co-crystallization discloses major ligand-induced interface rearrangements of a homodimeric tRNA-binding protein indicating a novel mode-...

by Frederik Rainer Ehrmann, Johann Stojko, Alexander Metz, François Debaene, Luzi Jakob Barandun, Andreas Heine, François Diederich, Sarah Cianférani, Klaus Reuter, Gerhard Klebe
Published 2017-01-01

Investigation of specificity determinants in bacterial tRNA-guanine transglycosylase reveals queuine, the substrate of its eucaryotic counterpart, as inhibitor.

by Inna Biela, Naomi Tidten-Luksch, Florian Immekus, Serghei Glinca, Tran Xuan Phong Nguyen, Hans-Dieter Gerber, Andreas Heine, Gerhard Klebe, Klaus Reuter
Published 2013-01-01