Publications

At Proteros, we have assembled a world class team of 60 scientists.
So far, more than 250 peer reviewed publications of Proteros´ key scientists have been published.

2016
Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site. Chen H., Tucker J., Wang X., Gavin P., Phillips C., Augustin M., Schreiner P., Steinbach S., Preston M., Ogg D. Acta Crystallogr D Struct Biol. 2016 May 1;72(Pt 5):682-93. doi: 10.1107/S2059798316004502. Epub 2016 Apr 26. Abstract
2015
On-rate based optimization of structure–kinetic relationship – surfing the kinetic map Schoop, A. , Dey, F. (2015) Drug Discovery Today: Technologies, Vol. 17, Oct. 2015, Page 9-15 Abstract
Distinct binding mode of multikinase inhibitor lenvatinib revealed by biochemical characterization. Okamoto K, Ikemori-Kawada M, Jestel A, von König K, Funahashi Y, Matsushima T, Tsuruoka A, Inoue A, Matsui J. ACS Med Chem Lett. 2014 Nov 17;6(1):89-94. doi: 10.1021/ml500394m. eCollection 2015 Jan 8. Abstract
Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody. Eylenstein R., Weingärtner D., Härte S., Stromer R., Böttcher J., Augustin M., Ostendorf R., Steidl S. MAbs. 2016;8(1):176-86. doi: 10.1080/19420862.2015.1099774. Epub 2015 Sep 25. Abstract
2014
IR laser-induced protein crystal transformation Kiefersauer, R. et al. (2014) Acta Cryst. Section D (2014) D70 Abstract
Structural analysis of the human fibroblast growth factor receptor 4 kinase. Leica E., Lammens A., Huber R., Augustin M. J Mol Biol. 2014 Nov 11;426(22):3744-56. doi: 10.1016/j.jmb.2014.09.004. Epub 2014 Sep 16. Abstract
2013
Structural and functional analysis of the natural JNK1 inhibitor quercetagetin Baek, S. et al. (2013) J Mol Biol. 425, 411-23 Abstract
The E. coli effector protein NleF is a Caspase inhibitor Blasche, S. et al. (2013) PLoS One. 8, 58937 Abstract
Discovery and optimization of a novel series of potent mutant B-Raf V600E selective kinase inhibitors Vasbinder, M.M., et al. (2013) J Med Chem. 56, 1996-2015 Abstract
Structure-Kinetic-Relationship study of CDK8/CycC specific compounds Schneider, E.V. et al.(2013) Proc Natl Acad Sci USA. 110, 8081-6 Abstract
Histone deacetylase (HDAC) inhibitor kinetic rate constants correlate with cellular histone acetylation but not transcription and cell viability Lauffer, B.E.L. et al.(2013) J Biol Chem. 288, 26926-43 Abstract
2012
Pharmacokinetic benefits of 3,4-dimethoxy substitution of a phenyl ring and design of isosteres yielding orally available cathepsin k inhibitors Crawford, J.J. et al.(2012) J Med Chem. 55, 8827-37 Abstract
Isosteric replacements for benzothiazoles and optimisation to potent Cathepsin K inhibitors free from hERG channel inhibition Dossetter, A.G. et al.(2012) Bioorg Med Chem Lett. 22, 5563-8 Abstract
(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis Dossetter, A.G. et al. (2012) J Med Chem. 55, 6363-74 Abstract
High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors Fradera, X. et al.(2012) Acta Crystallogr Sect F Struct Biol Cryst Commun. 68, 404-8 Abstract
2011
HTS reporter displacement assay for fragment screening and fragment evolution toward leads with optimized binding kinetics, binding selectivity, and thermodynamic signature Neumann, L. et al.(2011) Methods Enzymol. 493, 299-320 Abstract
The structure of CDK8/CycC implicates specificity in the CDK/Cyclin family and reveals interaction with a deep pocket binder Schneider, E.V. et al.(2011) J Mol Biol. 412, 251-266 Abstract
Inhibition of influenza virus replication via small molecules that induce the formation of higher-order nucleoprotein oligomers Gerritz, S.W. et al. (2011) Proc Natl Acad Sci USA. 108, 15366-71 Abstract
Key factors for successful generation of protein-fragment structures requirement on protein, crystals, and technology Böttcher, J. et al.(2011) Methods Enzymol. 493, 61-89 Abstract
2010
The ‘retro-design’ concept for novel kinase inhibitors Müller, G. et al.(2010) IDrugs. 13, 457-66 Abstract
A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions Buttar, D. et al.(2010) Bioorg Med Chem. 18, 7486-7496 Abstract
The crystal structure of a constitutively active mutant RON kinase suggests an intramolecular autophosphorylation hypothesis Wang, J. et al. (2010) Biochemistry. 49, 7972-4 Abstract
2009
Fragment-based discovery of BACE1 inhibitors using functional assays Godemann, R. et al.(2009) Biochemistry. 48, 10743-51 Abstract
Fragment-based lead generation: identification of seed fragments by a highly efficient fragment screening technology Neumann, L. et al.(2009) J Comput Aided Mol Des. 23, 501-11 Abstract
Dipeptidyl nitrile inhibitors of Cathepsin L Asaad, N. et al. (2009) Bioorg Med Chem Lett. 19, 4280-4283 Abstract
Design of selective Cathepsin inhibitors Bethel, P.A. et al.(2009) Bioorg Med Chem Lett. 19, 4622-5 Abstract
Structural and functional studies of the yeast class II Hda1 histone deacetylase complex Lee, J.H. et al.(2009) J Mol Biol. 391, 744-57 Abstract
2008
Phosphorylation of the human full-length protein kinase C-iota Macek, B. et al.(2008) J Proteome Res. 7, 2928-35 Abstract
2007
Macrocyclic statine-based inhibitors of BACE-1 Barazza, A. et al.(2007) Chembiochem. 8, 2078-91 Abstract
2005
Crystal structure of the catalytic domain of human atypical protein kinase C-iota reveals interaction mode of phosphorylation site in turn motif Messerschmidt, A. et al.(2005) J Mol Biol. 352, 918-931 Abstract
Discovery of the novel antithrombotic agent 5-chloro-N-({(5S)-2-oxo-3- [4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene- 2-carboxamide (BAY 59-7939): an oral, direct factor Xa inhibitor Roehrig S. er al.(2005) J Med Chem. 48, 5900-8 Abstract