Dr. Gerd Krause

phone +49 30 94793 228

Structural Bioinformatics and Protein Design
(Gerd Krause)


The group investigates in silico and experimental sequence-structure-function relationships of membrane proteins and interaction partners. Investigated systems include G-protein coupled receptors (GPCRs), transporters and tight junction proteins. In this context one strength is the development of bioinformatic tools that support the analysis of evolutionary and functionally relevant mutations. Furthermore, dedicated databases provide access to structure-function analysis of GPCRs (, and include a toolkit to generate new GPCR models (  The protein models guide experimental mutagenis of the respective protein. The main aims are:  i) rational discovery of molecular mechanisms and sites for protein-protein and protein-ligand interactions;  ii) pinpointing spatially interacting residues at the target protein by predicting functional sensitive residues that are subsequently evaluated experimentally, such as by site-directed mutagenesis or peptide mapping and iii) derive new molecules (small compounds or proteins) as counterparts for potential pharmacological intervention, such  as  blocking of autoantibody induced  pathogenic activation of the human Thyrotropin receptor by negative allosteric small molecule modulators for the treatment of thyroid-associated ophtalmopathy  (in cooperation with R. Schülein, FMP and  A. Eckstein Univ. clinics, Essen).


"Aryl Hydrocarbon Receptor Modulation by Tuberculosis Drugs Impairs Host Defense and Treatment Outcomes"

is online at  Cell,   Host & Microbe,

18.11. 2019:
"Host monitoring of and regulation by spying bacterial quorum sensing during Pseudomonas aeruginosa infection"

is online at   Science

Both are collaborations with Stefan Kaufmann (MPIIB, Berlin) and Pedro Moura-Alves (Oxford Univ., UK). Jonas Protze and Annika Kreuchwig from our lab did molecular modeling and ligand docking on the Aryl hydrocarbon receptor.

16.12. 2019:
Patrick Marcinkowski successfully defended his PhD thesis with "summa cum laude". Congratulations Patrick!


Leibniz-Forschungsinstitut für Molekulare Pharmakologie im Forschungsverbund Berlin e.V. (FMP)
Campus Berlin-Buch
Robert-Roessle-Str. 10
13125 Berlin, Germany
+4930 94793 - 100 
+4930 94793 - 109 (Fax)

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