Dittrich J, Popara M, Kubiak J, Dimura M, Schepers B, Verma N, Schmitz B, Dollinger P, Kovacic F, Jaeger KE, Seidel CAM, Peulen TO, Gohlke H (2023)
Resolution of Maximum Entropy Method-Derived Posterior Conformational Ensembles of a Flexible System Probed by FRET and Molecular Dynamics Simulations
J Chem Theory Comput

Perez-Garcia P, Chow J, Costanzi E, Gurschke M, Dittrich J, Dierkes RF, Molitor R, Applegate V, Feuerriegel G, Tete P, Danso D, Thies S, Schumacher J, Pfleger C, Jaeger KE, Gohlke H, Smits SHJ, Schmitz RA, Streit WR (2023)
An archaeal lid-containing feruloyl esterase degrades polyethylene terephthalate
Commun Chem 6: 193

Zhang H, Dierkes RF, Perez-Garcia P, Costanzi E, Dittrich J, Cea PA, Gurschke M, Applegate V, Partus K, Schmeisser C, Pfleger C, Gohlke H, Smits SHJ, Chow J, Streit WR (2023)
The metagenome-derived esterase PET40 is highly promiscuous and hydrolyses polyethylene terephthalate (PET)
Febs J

Bleffert F, Granzin J, Caliskan M, Schott-Verdugo SN, Siebers M, Thiele B, Rahme LG, Felgner S, Dormann P, Gohlke H, Batra-Safferling R, Erich-Jager K, Kovacic F (2022)
Structural, mechanistic and physiological insights into phospholipase A-mediated membrane phospholipid degradation in Pseudomonas aeruginosa
Elife 11:

El Harrar T, Davari MD, Jaeger KE, Schwaneberg U, Gohlke H (2022)
Critical assessment of structure-based approaches to improve protein resistance in aqueous ionic liquids by enzyme-wide saturation mutagenesis
Comput Struct Biotechnol J 20: 399

Kaiser J, Gertzen CGW, Bernauer T, Hofner G, Niessen KV, Seeger T, Paintner FF, Wanner KT, Worek F, Thiermann H, Gohlke H (2022)
A novel binding site in the nicotinic acetylcholine receptor for MB327 can explain its allosteric modulation relevant for organophosphorus-poisoning treatment
Toxicol Lett 373: 160

Weiler AJ, Spitz O, Gudzuhn M, Schott-Verdugo SN, Kamel M, Thiele B, Streit WR, Kedrov A, Schmitt L, Gohlk H, Kovacic F, Gohlke H (2022)
A phospholipase B from Pseudomonas aeruginosa with activity towards endogenous phospholipids affects biofilm assembly
Biochimica & Biophysica Acta Molecular & Cellular Biology Lipids 1867: 159101

Ahmad S, Strunk CH, Schott-Verdugo SN, Jaeger KE, Kovacic F, Gohlke H (2021)
Substrate access mechanism in a novel membrane-bound 1 phospholipase A of Pseudomonas aeruginosa concordant with specificity and regioselectivity
Biorxiv

Bleffert F, Granzin J, Caliskan M, Schott-Verdugo SN, Siebers M, Thiele B, Rahme L, Felgner S, Dormann P, Gohlke H, Batra-Safferling R, Jaeger KE, Kovacic F (2021)
Evidence for a bacterial Lands cycle phospholipase A: Structural and mechanistic insights into membrane phospholipid remodeling
Biorxiv

David B, Schneider P, Schafer P, Pietruszka J, Gohlke H (2021)
Discovery of new acetylcholinesterase inhibitors for Alzheimer's disease: virtual screening and in vitro characterisation
J Enzyme Inhib Med Chem 36: 491

Nutschel C, Coscolin C, David B, Mulnaes D, Ferrer M, Jaeger KE, Gohlke H (2021)
Promiscuous Esterases Counterintuitively Are Less Flexible than Specific Ones
J Chem Inf Model

Bollinger A, Thies S, Knieps-Grunhagen E, Gertzen C, Kobus S, Hoppner A, Ferrer M, Gohlke H, Smits SHJ, Jaeger KE (2020)
A Novel Polyester Hydrolase From the Marine Bacterium Pseudomonas aestusnigri - Structural and Functional Insights
Front Microbiol 11: 114

Verma N, Dollinger P, Kovacic F, Jaeger KE, Gohlke H (2020)
The Membrane-Integrated Steric Chaperone Lif Facilitates Active Site Opening of Pseudomonas aeruginosa Lipase A
J Comput Chem 41: 500

Viegas A, Dollinger P, Verma N, Kubiak J, Viennet T, Seidel CAM, Gohlke H, Etzkorn M, Kovacic F, Jaeger KE (2020)
Structural and dynamic insights revealing how lipase binding domain MD1 of Pseudomonas aeruginosa foldase affects lipase activation
Sci Rep 10: 3578

Bleffert F, Granzin J, Gohlke H, Batra-Safferling R, Jaeger KE, Kovacic F (2019)
Pseudomonas aeruginosa esterase PA2949, a bacterial homolog of the human membrane esterase ABHD6: expression, purification and crystallization
Acta Crystallographica F Struct Biol Commun 75: 270

Rathi PC, Jaeger KE, Gohlke H (2015)
Structural Rigidity and Protein Thermostability in Variants of Lipase A from Bacillus subtilis
PLoS ONE 10: e0130289