Structural Bioinformatics and Protein Design
(Gerd Krause)


(period 2002 - 2021)

bold: group members;   * : equal contributions;   # : corresponding author, if not last author


Lazzaretti C, Secco V, Paradiso E, Sperduti S, Rutz C, Kreuchwig A, Krause G, Simoni M, Casarini L.  Identification of key residues discriminating human choriogonadotropin (hCG)- and luteinizing hormone (LH)-specific signaling
Int. J. Mol. Sci. 2021, 25:22(1): E151. doi.10.3390/ijms22010151

Newton CL, Anderson RC, Kreuchwig A, Krause G, Katz A, Millar RP.(2021) Rescue of mutant luteinizing hormone receptors with deficiencies in cell surface expression, binding and signaling
Neuroendocrinology, 2021;111(5):451-464. doi: 10.1159/000508000  epub 2020 Apr 21.

Kamdem N, Roske Y, Kowalskyy D, Plotonov M, Balisnkyi O, Kreuchwig A, Saupe J, Fang L, Diehl A, Schmieder P, Krause G, Rademann J, Heinemann U, Birchmeier W, Oschkinat H. Small molecules inhibitors of the PDZ Domain of Dishevelled proteins interrupt Wnt signaling. Magnetic Resonance  2, 355–374, 2021

Krause G, Molecular Modelling,
chapter in S. Offermanns, W. Rosenthal (eds.), Encyclopedia of Molecular Pharmacology, Springer-Verlag Berlin Heidelberg New York 2021,

Oksche A, Krause G, Endothelins,
chapter in S. Offermanns, W. Rosenthal (eds.), Encyclopedia of Molecular Pharmacology, Springer-Verlag Berlin Heidelberg New York 2021,


Puyskens A, Stinn A, van der Vaart M, Kreuchwig A, Protze J, Klemm M, Guhlich-Bornhof U, Hurwitz R, Krishnamoorthy G, Schaaf M, Krause G, Meijer AH, Kaufmann SHE, Moura-Alves P. (2020)
Aryl Hydrocarbon Receptor Modulation by Tuberculosis Drugs Impairs Host Defense and Treatment Outcomes
Cell Host Microbe. 2020 Feb 12;27(2):238-248.e7. doi: 10.1016/j.chom.2019.12.005;

Piontek A*, Eichner M*, Zwanziger D, Walther W, Protze J, Theurer S, Beier LS, Schmid KW, Führer-Sakel D, Piontek J, Krause G, (2020)  Cytotoxic targeting of claudin-overexpressing thyroid and lung cancer cells by modified Clostridium Perfringens Enterotoxin
Mol Oncology 2020 Feb;14(2):261-276. doi: 10.1002/1878-0261.12615

Gonzalez-Lozano  MA, Koopmans  F, Sullivan  PF, Protze J, Verhage  M, Krause  G, Li  KW, Liu  F, Smit  AB,(2020) Stitching the synapse: Crosslinking mass spectroscopy into resolving synaptic protein interactions
Science advance 2020; 6 : eaax5783    

Hempel C, Protze J, Altun E, Riebe B, Piontek A, Lee IF, Fromm A, Günzel D, Krause G, Piontek J. (2020) Assembly of tight junction strands: Claudin-10b and claudin-3 form homo tetrameric building blocks that polymerise in a channel-independent manner
J Mol  Biol, 2020 Mar 27;432(7):2405-2427.

Krause G, Eckstein A, Schülein R. Modulating TSH receptor signalling for therapeutic benefit.
Eur Thyroid J 2020; 9(suppl 1):66–77, DOI 10.1159/000511871 (Review)

Piontek J, Krug SM, Protze J, Krause G, Fromm M (2020)
Molecular architecture and assembly of the tight junction backbone
Biochim Biophys Acta Biomembr. 2020 Mar 26;1862(7):183279. doi: 10.1016/j.bbamem.2020.183279. (Review).

Krause G, Hinz KM, Molecular mechanisms of thyroid hormone transport by L-type amino acid transporter
Exp Clin Endocrinol Diabetes 2020; 127: 379-382    doi: 10.1055/a-1032-8369(Review)


Moura-AlvesP, Puyskens A, StinnA, Klemm M, Guhlich-Bornhof U, Dorhoi A, Kreuchwig A, Protze J, Furkert J, Lozza L, Pei G, Saikali P, Perdomo C, Mollenkopf HJ, Hurwitz R, Kirschhoefer F, Brenner-Weiss G, Weiner J, Oschkinat H, Kolbe M, Krause G, Kaufmann SHE (2019)
Host monitoring of and regulation by spying bacterial quorum sensing during Pseudomonas aeruginosa infection
Science  2019 Dec 20;366(6472). pii: eaaw1629. DOI: 10.1126/science.aaw1629

Marcinkowski P, Hoyer I, , Specker, E, Furkert J, Rutz C, Neuenschwander M,  Sobotka S, Sun H, Nazare M, Berchner Pfannschmidt U, vKries J, Eckstein A, Schuelein R,  Krause G (2019) A new highly thyrotropin receptor-selective antagonist with potential for the treatment of Graves’ orbitopathy
Thyroid   2019 Jan;29(1):111-123. doi: 10.1089/thy.2018.0349.

Marcinkowski P, Mendieta S, Kreuchwig A, Hoyer I, Witte F, Furkert J, Rutz C, Lentz D, Krause G#, Schuelein R (2019),    Thyrotropin Receptor: Allosteric Modulators Illuminate Intramolecular Signaling Mechanisms at the Interface of Ecto- and Transmembrane Domain
Mol Pharmacology  2019,Oct (96(4):452-462;

Beier L-S, Rossa J, Woodhouse S, Bergmann S, Protze J, Eichner M, Kramer HB, Brandner JM, Krause G, Zitzmann N, Piontek J. Use of modified Clostridium Perfringens Enterotoxin fragments for claudin targeting in liver and skin cells
Int. J. Mol. Sci. 2019, 20, 4774, doi:10.3390/ijms20194774 

Lozza L, Moura-Alves P, Domaszewska T, Lage Crespo C, Streata I, KreuchwigA, BechtleM, KlemmM, ZedlerU, Ungureanu, BogdanS, Guhlich-Bornhof U, KoehlerA-B, StäberM, Mollenkopf HJ, Hurwitz R, Krause G, Jacinto A, Mihai I, Leite Moraes M,  Siebenhaar F,Weiner J, Kaufmann SHE (2019). The Aryl Hydrocarbon Receptor senses the Henna pigment Lawsone and mediates Yin-Yang effects on skin homeostasis
Sci Rep. 2019 Jul 26; 9(1):10878. doi: 10.1038/s41598-019-47350-x



Neuhaus W*, Piontek A*Protze J, Eichner M, Mahringer A, Sibileau EA, Lee IM, Schulzke J, Krause G#, Piontek J (2018)
Reversible opening of the blood-brain barrier by claudin-5-binding variants of Clostridium perfingens enterotoxin`s claudin binding domain
Biomaterials 161:129-143,  

Krause G, Marcinkowski P (2018)
Intervention strategies into glycoproteine hormone receptors for modulating (mal) function, with special emphasis on the TSH receptor
Horm Metab Res 2018, 50: 894-907

Fischer J, Kleinau G, Rutz C, Zwanziger D, Khajavi N, Müller A, Rehders M, Brix K, Worth CL, Führer D, Krude H, Wiesner B, Schülein R, Biebermann H. (2018)
Evidence of G-protein-coupled receptor and substrate transporter heteromerization at a single molecule level.
Cell. Mol. Life Sci.75, 2227-2239


Worth CL#,Kreuchwig F, Tiemann J, Kreuchwig A, Ritschel M, Kleinau G, Hildebrand PW, Krause G (2017)
GPCR-SSFE 2.0 – a fragment-based molecular modeling web tool for Class A G-protein Coupled Receptors
Nucleic Acid Res. 2017,Jun 5,doi: 10.1093/nar/gkx399. [Epub ahead of print]

Geithe, Protze J, Kreuchwig F, Krause G#, Krautwurst D (2017)
Structural determinants of a conserved enantiomer-selective carvone binding pocket in the human odorant receptor OR1A1
Cell Mol Life Sci.
2017 Nov, 74(22):4209-4229, doi: 10.1007/s00018-017-2576-z    

Kleinau G, Worth C, Kreuchwig A, Biebermann H, Marcinkowski P, Scheerer P, Krause G (2017)
Structural-functional features of the Thyrotropin receptor: a class A GPCR at work
Frontiers Endocrinolog
y 8:86. doi: 10.3389/fendo.2017.00086

Hinz KM, Neef D, Rutz C, Furkert J, Koehrle J, Schuelein R, Krause G (2017)
Molecular features of the L-type amino acid transporter 2 determine different import and export profiles for thyroid hormones and amino acids
Mol Cell Endocrinology
Mar 5;443:163-174. doi: 10.1016/j.mce.2017.01.024

Protze J, Braun D, Hinz KM, Bayer-Kusch D, Schweizer U, Krause G (2017)
Membrane traversing mechanism for thyroid hormone transport at MCT8
Cell Mol Life Sci.
Jun;74(12):2299-2318. doi: 10.1007/s00018-017-2461-9

Krause G, Hinz KM Thyroid hormone transport across L-type amino acid transporters: What can molecular modelling tell us?
Mol Cell Endocrinology, 2017, 28 March [epub prior print]  doi: 10.1016/j.mce.2017.03.01

Eichner M, Augustin C, Fromm A, Piontek A, Walther W, Bücker R, Krause G, Schulzke J, Günzel D, Piontek J(2018)
In colon epithelia, Clostridium perfringens enterotoxin causes focal leaks by targeting claudins which are apically accessible due to tight junction derangement

Journal of infectious disease
217:1, 147–157,

Piontek A*, Witte C*, Rose H, Eichner M, Protze J, Krause G#, Piontek J, Schroder L, (2017)
Development of cCPE-based xenon biosensors for MRI of claudin-expressing cell
Ann N Y Acad Sci.
2017 Jun: 1397(1):195-208. doi: 10.1111/nyas.13363.

Piontek A, Rossa J, Protze J, Wolburg H, Hempel C, Günzel D, Krause G, Piontek J (2017)
Polar and charged extracellular residues conserved between barrier-forming claudins contribute to tight junction strand formation
Ann N Y Acad Sci. 2017 Jun: 1397(1):195-208. doi: 10.1111/nyas.13341.

Appelt-Menzel A, Neuhaus W, Cubukova A, Wilhelm S, Günther K, Edenhofer F, Krause G, Piontek J, Stüber T, Walles H, Metzger M (2017)
Establishment of a human blood-brain barrier co-culture model mimicking the neurovascular unit using human induced pluripotent and multipotent stem cells
Stem cells Report
2017 Apr 11;8(4):894-906. doi: 10.1016/j.stemcr.2017.02.021.

Baumholtz AI, Simard A, Nikolopoulou E, Oosenbrug M, Collins MM, Piontek A, Krause G, Piontek J, Greene NDE, Ryan A (2017)
Claudins are essential for cell shape changes and convergent extension movements during neural tube closure
Developmental  Biology
2017 May 22. pii: S0012-1606(17)30044-1. doi: 10.1016/j.ydbio.2017.05.013. [Epub ahead of print]


Eichner M, Protze J, Piontek A, Krause G, Piontek J (2016)
Targeting and alteration of tight junctions by bacteria and their virulence factors such as Clostridium perfringens enterotoxin
Pflügers Arch  18 Nov 2016 [Epub ahead of print] ; 2017 Jan;469(1):77-90. doi10.1007/s00424-016-1902-x

Bandholtz S, Erdmann S, von Hacht J, Exner S, Krause G, Kleinau G, Grötzinger C (2016)
Urolinin - the first linear peptidic urotensin-II receptor agonist
J Med Chem
2016, Nov 23;59(22):10100-10112                                               

Götz F, Roske Y, Schulz MS, Authenrieth K, Bertinetti D, Faelber K, Zülke K, Kreuchwig A,  Kennedy E, Krause G, Daumke O, Herberg FW, Heinemann U, Klussmann E (2016)
AKAP18: PKA-RII  structure reveals crucial anchor points for recognition of regulatory subunits of PKA
Biochemical Journal 
Jul 1;473(13):1881-94. doi: 10.1042/BCJ20160242

Liao Z, Yang Z, Piontek A, Eichner M, Chen B, Krause G,  Li L, Piontek J, Zhang J (2016) Specific binding of a mutated fragment of Clostridium perfringens enterotoxin to endothelial Claudin5 and its modulation of cerebral vascular permeability
    Jul 7;327:53-63. doi: 10.1016

Gershengorn M, Neumann S, Raaka BM, Thomas CJ, Inglese J, Southall NT, Titus S, Zheng W, Huang W, Krause G, Kleinau G; Low molecular weight Thyroid stimulating hormone receptor (TSHR) agonists,
patent US 9,458141 B2 Oct 4, 2016




Grzesik P, Kreuchwig A, RutzC, Furkert J, Wiesner B, Schülein R, Kleinau G, Gromoll J, Krause G (2015) Differences in signal activation mediated by LH and hCG are triggered by the LH/CG receptors´s extracellular hinge region
Frontieres in Endocrinology 2015, 6:140     doi: 10.3389/fendo.2015.00140

Hinz KM, Meyer K, Kinne A, Schülein R, Köhrle J, Krause G (2015) Structural insights into thyroid hormone transport mechanisms of L-type amino acid transporter 2
Mol Endocrinology 2015 Jun 29(6):933-42. doi: 10.1210/me2015-1044.

Kinne A, Wittner M, Wirth EK, Hinz KM, Schülein R, Köhrle J, Krause G (2015) Involvement of L-type amino acid transporter Lat2 in the transport of 3,3'diiodo-thyronines across the plasma membrane

European Thyroid J. 2015 DOI:10.1159/000381542      


Zevenbergen C, Meima ME, Peeters RP, Kinne A, Krause G, Visser WE, Visser Tj (2015) Transport of Iodothyronines by human L-type Amino Acid Transporters

Endocrinology 2015 Aug25: en2015.1140

Krause G, Protze J, Piontek J (2015) Assembly and function of claudins: Structure function relationships based on homology models and crystal structures
Sem Cell Dev Biol. 2015, May 7. pij:S1084-9521(15)00096-8. doi: 10.1016/j.semcdb.2015.04.010.

Protze J, Eichner M, Piontek A, Dinter S, Rossa J, Blecharz KG, Vajkoczy P, Piontek J, Krause G (2015)

Directed structural modifications of Clostridium perfringens enterotoxin to enhance binding to claudin-5
Cell Mol Life Sci, 72:7, 1417-1432, Oct24 2014 epub ahead of print, doi: 10.1007/s00018-014-1761-6


Klein W, Westendorf C, Schmidt A, Cortez MC, Rutz C, Blohs M, Beyermann M, Protze J, Krause G, Krause E, Schülein R (2015) Defining a conformational consensus in cotransin-sensitive signal sequences: a proteomic and site directed mutagenesis study

PloS One 2015 Mar 25;10(3):e0120886. doi:10.1371/journal.pone.0120886. eCollection 2015


Zhang J, Ni C, Yang Z, Piontek A, Chen H, Wang S, , FanY, Quin Z, Piontek J (2015) Specific binding of Clostridium perfringens enterotoxin fragmnt to Claudin-b and modulation of zebrafish epidermal barrier. Exp. Dermatol. 24, 605-610 (2015)


Fischer J, Kleinau G, Müller A, Kühnen P, Zwanziger D, Kinne A, Rehders M, Moeller LC, Führer D, Gruters A, Krude H, Brix K, Biebermann H (2015), Modulation of monocarboxylate transporter 8 oligomerization by specific pathogenic mutations. J Mol Endocrinology, 2015, 54(1):39-50





Moura-Alves P,  Fae K, Houthuys E, Dorhoi  A, Kreuchwig A, Furkert J, Barison N, Diehl A, Munder  A, Constant P, Guhlich-Bornhof  U, Klemm  M, Koehler A-B, Bandermann S, Goosmann C, Mollenkopf HJ,  Hurwitz R, Brinkmann V, Fallatreau S, Daffe M, Tümmler B, Kolbe M, Oschkinat H, Krause G, Kaufmann SHE (2014)
AhR sensing of bacterial pigments regulates anti-bacterial defences
Nature2014 Aug 28; 512(7515):387-92. doi: 10.1038/nature13684.



Rossa J*, Protze J*, Kern C, Günzel D, Krause G, Piontek J (2014) On molecular interfaces contributing to folding of claudin-5 and its assembly into tight junction strands
Biochemical J 2014 Nov15; 464(1):49-60. doi: 10.1042/BJ20140431



Grzesik P, Teichmann A, Furkert J, Rutz C, Wiesner B, Kleinau G, Schuelein R,  Gromoll J, Krause G (2014)Differences between lutropin and choriogonadotropin mediated receptor activation
FEBS J. 2014 Mar, 281(5):1479-92. doi:10.1111/febs.12718


Rossa J, Plöger C, Vorreiter F, Saleh T, Protze J, Günzel D, Wolburg H, Krause G, Piontek J (2014) Claudin-3 and Claudin-5 Folding and Assembly into the Tight Junction are controlled by Non-conserved Residues in TM3 and ECL2 Segments.
J Biol Chem.
2014, Jan 29. doi: 10.1074/jbc.M113.531012 [Epub ahead of print]


Vargas C, Radziwill G, Krause G, Diehl A, Keller S, Kamdem N, Czekelius C, Kreuchwig A, Schmieder P, Doyle D, Moelling K, Hagen V, Scade M, Oschkinat H (2014)

Small-Molecule Inhibitors of AF6 PDZ-Mediated Protein-Protein Interactions

ChemBioChem Jul;9(7):1458-62 DOI 10.1002/cmcd201300553



Gershengorn MC , Neumann S, Raaka BC, Thomas C, Inglese J, Southal J, TitusS,  Zheng W, Huang W, Krause G, KleinauG “LOW MOLECULAR WEIGHT THYROID STIMULATING HORMONE RECEPTOR (TSHR) AGONISTS,” U.S. Patent EP 2358684201


Schäfer G, Milić J, Eldahshan A, Götz F, Zühlke K, Schillinger C, Kreuchwig A, Elkins JM, Abdul Azeez KR, Oder A, Moutty MC, Masada N, Beerbaum M, Schlegel B, Niquet S, Schmieder P, Krause G, von Kries JP, Cooper DM, Knapp S, Rademann J, Rosenthal W, Klussmann E (2013)

Highly Functionalized Terpyridines as Competitive Inhibitors of AKAP-PKA Interactions

Angew Chem Int Ed Engl.2013 Sep 23. doi: 10.1002/anie.201304686


Kreuchwig A, Kleinau G, Krause G (2013)

Research Resource: Novel structural insights bridge gaps in glycoprotein receptors
Mol Endocrinol,
2013, 27(8):1357-1363. doi: 10.1210/me.2013-1115


Braun D, Lelios I, KrauseG, Schweizer U (2013)  
Histidines in Potential Substrate Binding Sites Affect Thyroid Hormone Transport by Monocarboxylate Transporter 8 (MCT8)
2013 Jul;154(7):2553-61. doi: 10.1210/en.2012-2197


Hoyer I, Haas A-K, Kreuchwig A, Schülein, Krause G (2013)
Molecular sampling of the allosteric binding pocket of the TSH receptor provides discriminative pharmacophores for antagonists and agonists
Biochem Soc Transactions
2013 41, 213–217. doi:10.1042/BST20120319


TroppmannB, KleinauG, KrauseG, GromollJ (2013)
Structural and functional plasticity of the luteinizing hormone/choriogonadotropin receptor
Hum Reprod Update.
2013 Sep-Oct;19(5):583-602. doi: 10.1093/humupd/dmt023.


Cöster  M, Wittkopf  D, Kreuchwig A, Kleinau G, Thor  D, Krause G, Schöneberg T (2012)
Using ortholog sequence data to predict the functional relevance of mutations in G protein-coupled receptors
FASEB J  2012 Aug; 26(8):3273-81. doi: 10.1096/fj.12-203737.     

Krause G, Kreuchwig A, Kleinau G (2012)
Extended and structurally supported insights into extracellular hormone binding, signal transduction and organization of the thyrotropin receptor
PlosOne, 2012 Dec 27;7(12):e52920

Veshnyakova A, Piontek J,  Protze J, Waziri N, Heise I, Krause G (2012)
Mechanism of Clostridium perfringens enterotoxin interaction with claudin-3/-4  suggests structural modifications of the toxin to target specific claudins             
J Biol. Chem. 2012; Jan 13; 287(3) 1698-1708

Veshnyakova A, Krug SM, Mueller SL , Piontek J, Protze J, Fromm M, Krause G (2012)
Determinants contributing to claudin ion channel formation
Ann N Y Acad Sci
. 2012 Jun;1257(1):45-53. doi: 10.1111/j.1749 6632.2012.06566.x.

Heitman L, Kleinau G, Brussee J, Krause G, Ijzerman A, (2012)
Determination of different putative allosteric binding pockets at the lutropin receptor by using diverse drug-like low moleculaar weight ligands
Mol Cell Endocrinol. 2012 Apr4; 351(2)326-36

Teichmann  A, Rutz C, Kreuchwig A,Krause G, Wiesner B,  Schülein R (2012)
The pseudo signal peptide of the corticotropin-releasing factor receptor type 2A prevents receptor oligomerization.
J Biol. Chem. 2012 Aug 3;287(32):27265-74. doi: 10.107/jbc.M112.360594


Haas A-K, Kleinau G, Hoyer I, Neumann S, Furkert J, Rutz C, Schülein R, Gershengorn M, Krause G (2011)
Mutations that silence constitutive signaling activity in the allosteric ligand binding site of the thyrotropin receptor
Cell Mol Life Sci.2011 Jan; 68(1):159-67

Kreuchwig A,  Kleinau G,   Kreuchwig F,  Worth  CW,  Krause G (2011)
Research resource: Update and Extension of a Glycoprotein Hormone Receptors Web Application
Mol Endocrinol. 2011

Worth CW, Kreuchwig A, Kleinau G, Krause G (2011)
GPCR-SSFE: A comprehensive database of G-protein-coupled receptor template predictions and homology models 
BMC-Bioinformatics  2011 May 23;12(1):185                                             

Kleinau G, Mueller S, Jaeschke H, Grzesik P; Neumann S, Diehl A, Paschke R, Krause G (2011a)
Defining structural and functional dimensions of the extracellular thyrotropin receptor region
J Biol Chem
  2011 Jun 24;286(25):22622-31

Wichard JD, terLaak A, Krause G, Heinrich N, Kühne R, Kleinau G (2011)
Chemogenomic analyses of G-protein-coupled receptors and their ligands decipher locks and keys governing diverse effects of signaling
PLOsOne 2011 Feb 4;6(2):e16811

Kleinau G*, Hoyer I*, Kreuchwig A, Haas AK, Rutz C, Furkert J, Worth CL, Krause G, Schülein R (2011b)
From molecular details of the interplay between transmembrane helices of the Thyrotropin receptor to general aspects of signal transduction  in family A GPCR
J Biol Chem2011 Jul 22;286(29):25859-71.

Saupe J, Roske Y, Schillinger C, Kamden N, Radetzki S, Diehl A, Oschkinat H, Krause G, Heinemann U, Rademann J (2011)
Discovery, structure activity relationship studies, and crystal structure of non-peptide inhibitors of the Shank PDZ domain
ChemMedChem  2011;6(8):1411-22.  doi: 10.1002/cmdc.201100094. 

Schülein R, Westendorf C, Krause G, Rosenthal W.(2011)
Functional significance of cleavable signal peptides of G protein-coupled receptors.
Eur J Cell Biol.
(4):294-9. doi: 10.1016/j.ejcb.2011.02.006

Kinne A,  Schülein R, Krause G (2011)
Primary and Secondary Thyroid Hormone Transporters
BMC-Thyroid Research
2011 Aug 3;4 Suppl 1:S7 (review)


Kleinau G*, Haas A-K*, Neumann S*, Worth CL, Hoyer I, Furkert J, Rutz C, Gershengorn M, Schuelein R, Krause G (2010)
Signaling-sensitive amino acids surround the allosteric ligand binding site of the thyrotropin receptor
FASEB J    2010 Jul;24(7):2347-54                

Kleinau G*, Kreuchwig A*, Worth CL, Krause G (2010)
An Interactive Web-Tool for Molecular Analyses links Naturally Occurring Mutation Data with Three-Dimensional Structures of the rhodopsin-like Glycoprotein Hormone Receptor
Human Mutation
  Jun; 31(6): E1519-25

Kleinau G, Jaeschke H, Worth CL, Mueller S, Gonzalez J, Paschke R, Krause G (2010)
Principles and determinants of G-protein coupling by the rhodopsin-like thyrotropin receptor
PLoS One 2010 Mar 18;5(3):e9745.

Kinne A, Kleinau G, Hoefig C, Grüters A, Köhrle J, Krause G, Schweizer U (2010)
Essential molecular determinants for thyroid hormone transport and first structural implications for monocarboxylate transporter 8
J Biol Chem.  
2010 Sep 3; 285(36):28054-63

Winkler F, Kleinau G, Tarnow P, Rediger A, Grohmann L, Gaetjens I, Krause G, l` allemand D,  Grüters A, Krude H, Biebermann H (2010)
A new phenotype of Nongoitrous and Nonautoimmune hyperthyroidism caused by a heterozygous thyrotropin receptor mutation in transmembrane helix 6
J Clin Endocrin Metab
  2010 Aug;95(8):3605-10

Markov  AG, Veshnyakova  A, Fromm  M, Amasheh  M, Amasheh  S (2010)
Segmental expression of claudin proteins correlates with tight junction barrier properties in rat intestine.
J. Comp. Physiol. B 2010, 180(4): 591-598

Veshnyakova A, Protze J, Rossa J, Blasig IE, Krause G, Piontek J (2010)
On the interaction of clostridium perfringens enterotoxin  with claudins
Toxins 2010; 2(6):1336-1356.(Review)

Laettig J, Krause G (2010)
Molekulare Mechanismen der Endothelin-rezeptorerkennung. Ursachen von Selektivität, Aktivierung und Inhibierung.
Pharmazie i u Z,
 2010;39(6):442-7 (Review)


Kleinau G, Krause G (2009)
Thyrotropin- and Homologous Glycoprotein Hormone Receptors: Structural and Functional Aspects of Extracellular Signaling Mechanisms
Endocrine Rev. 
2009 Apr;30(2):133-51

Worth CL, Gong S, Blundell TL (2009)
Structural and functional constraints in the evolution of protein families.
Nat Rev  Mol  Cell  Biol.
2009, Oct;10(10):709-20

Neumann S, Huang W, Titus S, Krause G, Kleinau G,  Zeng W, Southall NT, Inglese J, Austin CP, Gavrilova O, Thomas CJ, Raaka BM, Gershengorn MC (2009) 
Small Molecule Agonists for the Thyrotropin Receptor Stimulate Thyroid Function in Human Thyrocytes and Mice
Proc. Nat. Acad. Sci. USA     106(30): 12471-12476    
selected for ‘Faculty of 1000 Biology’ ( ranking: `exceptional`     

Worth CL,  Kleinau G, Krause G (2009)
Comparative Sequence and Structural Analyses of G-Protein Coupled Receptor Crystal Structures and Implications for Molecular Models
PLoS One. 2009 Sep 16;4(9):e7011

Schillinger C, Boisguerin P, Krause G (2009)
Domain Interaction Footprint: a multi-classification approach to predict domain-peptide interactions
Bioinformatics 2009 Jul 1;25(13):1632-9.                            

Lättig J, Oksche A, Beyermann M, Rosenthal W,  Krause G (2009) 
Structural determinants for selective recognition of peptide ligands at endothelin receptor subtypes ETA and ETB
J Pep Sci    22;15(7):479-491                                                                                      

Krause G, Winkler L, Piehl P, Blasig I, Piontek J,  Müller SL (2009)
Structure and function of extracellular claudin domains
Ann NY Acad Sci   2009 May;1165:34-43                                                     

Winkler L, Gehring C, Wenzel A, Mueller SL, Piehl C, Krause G, Blasig IE, Piontek J (2009).
Molecular determinants of the interaction between Clostridium perfringens enterotoxin and Claudins
J Biol Chem. 284(28):18863-72

Pankow  K,  Schwiebs A, BeckerM, Siems WE, Krause G, Walther T (2009)
Structural substrate  conditions required for neutral endopeptidase-mediated naturetic peptide degradation                 
J Mol Biol 2009 Oct 23;393(2):496-503   

Mueller S, Kleinau G, Szkudlinski MW, Jaeschke H, Krause G, Paschke R (2009)
The superagonistic activity of bovine TSH and the human TR1401 TSH analog is determined by specific amino acids in the hinge region of the human TSH-Receptor.
J Biol Chem. 2009 Apr 22. 2009, 284:24, 16317-16324                               

Worth CL, Blundell TL. (2009)
Satisfaction of hydrogen-bonding potential influences the conservation of polar sidechains.
Proteins. 2009 May 1;75(2):413-29

Alken M, Schmidt A, Rutz C, Furkert J, Kleinau G, Rosenthal W, Schulein R (2009)
The sequence following the signal peptide of the G protein-coupled endothelin B receptor is required for efficient translocon gating at the endoplasmic reticulum membrane
Mol Pharmacol. 2009 Apr;75(4):801-11


Kleinau G,  Jaeschke H, Mueller S, Raaka B, Neumann S, Paschke R, Krause G (2008)
Evidence for cooperative signal triggering at the extracellular loops of the TSH receptor   
FASEB J. 2008 22(8):2798-808  

Mueller S, Kleinau G, Jaeschke H, Paschke R, Krause G (2008)
Extented hormone binding site of the human TSHR: Distinctive acidic residues in the hinge region are involved in bovine TSH binding and receptor activation.
J Biol Chem. 2008  Jun 27;283(26):18048-55.   

Neumann S, Kleinau G, Costanzi S, Moore S, Jiang JK, Raaka BM, Thomas CJ, Krause G, Gershengorn MC. (2008)
A Low Molecular Weight Antagonist for the Human Thyrotropin Receptor with Therapeutic Potential for Hyperthyroidism.
Endocrinology. 2008 Dec;149(12):5945-50
publication has been selected for ‘Faculty of 1000 Biology’ ( ranking: `exceptional`

Kleinau G,  Jaeschke H, Mueller S, Worth C,  Paschke R, Krause G  (2008)
Molecular and structural effects of inverse agonistic mutations on signaling of the thyrotropin receptor a basally active GPCR
Cell Mol Life Sci  2008 Nov;65(22):3664-76.

Krause G, Winkler L, Mueller SL, Haseloff RF, Piontek J, Blasig IE,(2008)
Structure and function of claudins.
Biochim Biophys Acta. 2008 Mar;1778(3):631-45

Piontek J, Winkler L, Wolburg H, Mueller SL, Zuleger N, Piehl C, Wiesner B, Krause G*, Blasig I (2008) 
Formation of tight junctions: Determinants of homophilic interactions between strand forming classic Claudins 
* corresponding author
FASEB J. 2008 Jan;22(1):146-58.

Bulwin GC, Wälter S, Schlawinsky M, Heinemann T, Schulze A, Höhne W, Krause G, Kalka-Moll W, Fraser P, Volk HD, Löhler J, Milford EL, Utku N.(2008)
HLA-DR Alpha 2 Mediates Negative Signalling via Binding to Tirc7 Leading to Anti-Inflammatory and Apoptotic Effects in Lymphocytes In Vitro and In Vivo.
PLoS ONE. 2008 Feb 13;3(2):e1576. 

Jaeschke H, Kleinau G, Sontheimer J, Mueller S, Krause G, Paschke R.
Preferences of transmembrane helices for cooperative amplification of G(alpha)s and G (alpha)q signaling of the thyrotropin receptor.
Cell Mol Life Sci. 2008 Dec, 65(24):4028-38

TarnowP,  RedigerA, BrummH, AmbruggerP, RettenbacherE, WidhalmK,  HinneyA, KleinauG, SchaeferM, HebebrandJ, KrauseG, GrütersA,  BiebermannH. (2008) 
A Heterozygous Mutation in the Third Transmembrane Domain Causes a Dominant-Negative Effect on Signalling Capability of the MC4R
Obesity Facts 2008;1:155-162


Kleinau G, Brehm M, Wiedemann U, Labudde D, Leser U, Krause G (2007)
New implications for molecular mechanisms of glycoprotein hormone receptors using a new Sequence-Structure-Function Analysis tool
Mol Endocrinol. 2007 Feb;21(2):574-80

Kleinau G, Claus M, Jaeschke H, Mueller S, Neumann S, Paschke R, Krause G (2007)
Contacts between extracellular loop two and transmembrane helix six determine basal activity of the thyroid stimulating hormone receptor.
J Biol Chem. 2007 Jan 5;282(1):518-25

Pankow K, Wang Y, Gembardt F, Krause E, Sun X, Krause G, Schultheiss HP, Siems WE, Walther T. (2007) Successive Action of Meprin A and Neprilysin Catabolizes B-Type Natriuretic Peptide.
Circ Res. 2007  Oct 26;101(9):875-82

Kohler C, Andersen OM, Diehl A,  Krause G, Schmieder P, Oschkinat H (2007)  The solution structure of the core of mesoderm development (MESD), a chaperone for members of the LDLR-family. 
J Struct Funct Genomics.;7(3-4):131-8.   

Jung N, Wienisch M, Gu  M,  Rand JB, Müller SL, Krause G, Jorgensen EM, Klingauf J, Haucke V  (2007)Molecular basis of synaptic vesicle cargo recognition by the endocytic sorting adaptor stonin 2                   
J Cell Biol. 2007 Dec 31;179(7):1497-510.          

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Jaschke H', Neumann S', Moore S, Thomas C, Colson AO, Constanzi S, Kleinau G, Jiang JK, Paschke R, Raaka BM, Krause G* Gershengorn M*, (2006)
A low molecular weight agonist signals by binding to the transmembrane domain of TSHR and LHCGR
J Biol Chem., 2006 Apr 14;281(15):9841-4              ' equal contribution      * common correspondig authors

Moore S', Jaeschke H', Kleinau G', Neumann S, Costanzi S, Jiang JK, Childress J, Raaka BM, Colson A, Paschke R, Krause G, Thomas CJ, Gershengorn MC (2006)
Evaluation of small-molecule modulators of the luteinizing hormone/choriogonadotropin and thyroid stimulating hormone receptors: structure-activity relationships and selective binding patterns J Med Chem. 2006 Jun 29;49(13):3888-96                 ' equal contribution

Ferguson N, Becker J, Tidow H, Tremmel S, Sharpe TD, Krause G, Flinders J, Petrovich M, Berriman J, Oschkinat H, Fersht AR (2006)
General structural motifs of amyloid protofilaments
Proc Natl Acad Sci U S A. 2006 Oct 31;103(44):16248-53

Claus M, Neumann S, Kleinau G, Krause G, Paschke R (2006)
Structural determinants for G-protein activation and specificity in the third intracellular loop of the thyroid-stimulating hormone receptor
J Mol Med. 2006 Nov;84(11):943-54

Mueller S', Kleinau G', Jaeschke H, Neumann S, Krause G, Paschke R (2006)
Significance of Ectodomain Cysteine Boxes 2 and 3 for the Activation Mechanism of the Thyroid-stimulating Hormone Receptor
J Biol Chem. 2006 Oct 20;281(42):31638-31646 ' equal contribution

Jaschke, H., Neumann, S., Kleinau, G., Mueller S., Krause G. Paschke, R. (2006)
An aromatic environment in the vicinity of serine281 in the ectodomain of the TSHreceptor is a structural requirement for intramolecular signaling
Endocrinology, 2006 Apr;147(4):1753-60

Hundsrucker C, Krause G, Beyermann M, Prinz A, Zimmermann B, Diekmann O, Lorenz D, Stefan E, Nedvetsky P, Dathe M, Christian F, McSorley T, Krause E, McConnachie G, Herberg F, Scott JD, Rosenthal W, Klussmann E (2006) High-affinity AKAP18-protein kinase A interaction yields novel protein kinase A anchoring disruptor peptides
Biochemical Journal  396(2): 297-306

Joshi M, Vargas C, Moelling K, Boisguerin P, Diehl A, Schmieder P, Krause G, Hagen V, Schade M, Oschkinat H (2006)
Making Protein-Protein Interactions Drugable: Discovery and 3D Structure of Low-Molecular-Weight Ligands Complexed with the AF6 PDZ Domain
Angew. Chem. Int. Ed., 2006 Jun 2;45(23):3790-5.

Blasig IE, Winkler L, Lassowski B, Mueller SL, Zuleger N, Krause E, Krause G, Gast K, Kolbe M, Piontek J (2006)
The self-association potential of transmembrane tight junction proteins
Cell Mol Life Sci, 2006 Feb;63(4):505-14

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Müller SL, Portwich M, Schmidt A, Utepbergenov DI, Huber O, Blasig IE, Krause G (2005)
The tight junction protein occludin and the adherens junction protein a-catenin share a common interaction mechanism with ZO-1
J Biol Chem 280(5):3747-56

Claus M, Jäschke H, Kleinau G , Neumann S, Krause G, Paschke R (2005)
A hydrophobic cluster in the center of the third extracellular loop is important for TSH receptor signaling
Endocrinology 146(12):5197-203

Thielen A, Queslati M, Hermosilla R, Krause G, Oksche A, Rosenthal W, Schülein R (2005)
Hydrophobic amino acid residues in the membrane-proximal C tail of the G protein-coupled vasopressin V2 receptor are necessary for transport-competent receptor folding
FEBS letters 579(23):5227-35

Tunaru S, Lättig J, Kero J, Krause G, Offermanns S(2005)
Characterization of determinants of ligand binding in the nicotinic acid receptor GPR109A (HM74A/PUMA-G)
Mol Pharmacology 68(5):1271-80

Karges B*, Krause G*, Homoki J, Debatin KM, deRoux N, Karges W (2005)
TSH receptor mutation V509A causes familiar hyperthyroidism by release of interhelical constraints between TMH3-TMH5
* equal contributions
J Endocrinol; 186: 377-385

Jäschke H, Claus M, Kleinau G, Krause G, Paschke R (2005)
TSH-Receptor structure and mechanism of activation
in: Hot Thyroidology,

Neumann S, Krause G, Claus M, Paschke R (2005)
Structural Determinants for G-Protein Activation and Selectivity in the Second Intracellular Loop of the Thyrotropin Receptor
Endocrinology 146(1): 477-85

Kaufmann R, Schulze B, Krause G, Mayr LM, Setmacher U, Henklein P (2005)
Proteinase-activated receptors (PARs) - The PAR3 Neo-N-terminal peptide TFRGAP interacts with PAR1
Regulatory Peptides 12 5(2005) 61-66

Chen Z, Krause G, Reif B(2005)
Structure and Orientation of Peptide Inhibitors bound to beta-amyloid Fibrils
J Mol Biol. 354(4): 760-776

Leitner D, Wahl M, Labudde D, Krause G, Diehl A, Schmieder P , Pires JR, Fossi M, Wiedemann U, Leidert M, H Oschkinat (2005)
The solution structure of an N-terminally truncated version of the yeast CDC24p PB1 domain shows a different ß-sheet topology
FEBS letters, 579(17): 3524-8

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Kleinau G, Jäschke H, Neumann S, Lättig J, Paschke R, Krause G  (2004)
Identification of a novel epitope in the TSH receptor ectodomain acting as intramolecular signalling interface
J Biol Chem, 2004, 279 (49): 51590-51600

Jäschke H, Claus M, Krause G, Kleinau G, Paschke R (2004)
TSH-Receptor structure and mechanism of activation
Hot Thyroidology ,

Wüller S,  Wiesner B, Löffler A, Furkert J, Krause G,  Hermosilla R, Schaefer M,  Schülein R, Rosenthal W, Oksche A (2004)
Pharmacochaperones post-translationally enhance cell surface expression by increasing conformational stability of wild-type and mutant vasopressin V2 receptors
J Biol Chem. Nov 2004, 279: 47254-47263

K Schleinkofer, U Wiedemann, L Otte, T Wang, G Krause, H Oschkinat, R C Wade (2004)
Comparative Structural and Energetic Analysis of WW Domain-peptide Interactions,
J Mol Biol. 344,3, 865-881

Wiedemann U, Boisguerin P, Leben R, Leitner D, Krause G, Mölling K, Volkmer-Engert R, Oschkinat H(2004)
Quantification of PDZ Domain Specificity, Prediction of Ligand Affinity and Rational Design of Super-Binding Peptides   
J Mol Biol 343, 703-718

Schmidt A, Utepbergenov DI, Mueller SL, Beyermann M, Schneider-Mergener J, Krause G, Blasig IE (2004),
Occludin binds to the SH3-hinge-GuK unit of zonula occludens protein 1: potential mechanism of tight junction regulation.
Cell Mol Life Sci. 2004 May;61(11):1354-65.

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Otte L, Wiedemann U, Schlegel B, Pires JR, Beyermann M, Schmieder P, Krause G, Volkmer-Engert R, Schneider-Mergener J, Oschkinat H (2003)
WW domain sequence activity relationships identified using ligand recognition propensities of 42 WW domains.
Protein Sci. 2003 Mar;12(3):491-500.

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Fujita Y, Krause G, Scheffner M, Zechner D, Leddy HE, Behrens J, Sommer T, Birchmeier W(2002)
Hakai, a c-Cbl-like protein, ubiquitinates and induces endocytosis of the E-cadherin complex.
Nature - Cell Biol. 2002 Mar;4(3):222-31

Oksche A, Leder G, Valet S, Platzer M, Hasse K, Geist S, Krause G, Rosenthal A, Rosenthal W (2002)
Variant amino acids in the extracellular loops of murine and human vasopressin V2 receptors account for differences in cell surface expression and ligand affinity.
Mol Endocrinol 2002 Apr;16(4):799-813

Kochl R, Alken M, Rutz C, Krause G, Oksche A, Rosenthal W, Schulein R (2002)
The signal peptide of the G protein-coupled human endothelin B receptor is necessary for translocation of the N-terminal tail across the endoplasmic
reticulum membrane.
J Biol Chem. 2002 May 3;277(18):16131-8.

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Book contributions

Krause E, Beyermann M, Dathe M, Rothemund S, Krause G, Bienert M
Location of amphipathic alpha-helical domain in CRH using retention data of double D-amino acid replacement set, in Peptides, L.S. Hernani Maia, eds., Escom Leiden. (1994), pp.420-421.

Lättig J, Schunack W, Nürnberg, Krause G (2003)
Towards 3D patterns for G-protein specificity of GPCRs by G-protein interacting small molecules
In Designing Drugs and crop protectants: processes, problems and solutions
Eds:M Ford, D Livingston, J Dearden H van de Waterbeemd
Blackwell publishing Inc., 2003, Oxford, UK

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Book chapters

Krause G, Molecular Modelling,
chapter in S. Offermanns, W. Rosenthal (eds.), Encyclopedia of Molecular Pharmacology, Springer-Verlag Berlin Heidelberg New York 2021,

Oksche A, Krause G, Endothelins,
chapter in S. Offermanns, W. Rosenthal (eds.), Encyclopedia of Molecular Pharmacology, Springer-Verlag Berlin Heidelberg New York 2021,

Kühne R, Krause G, Rosenthal W
Entdeckungsstrategien in der Wirkstoffforschung,
in Handbuch der Psychopharmakologie
(Hrsg.: F. Holsboer, G. Gründer, O. Benkert)
Springer Verlag, Heidelberg; 2014

G. Krause : Molecular Modelling, 
Chapter at Encyclopedic reference of molecular pharmacology,  603-608
(Eds.  S. Offermanns, W. Rosenthal)
Springer Verlag, Heidelberg; 2004

Oksche, A., Pohl, P., Krause, G., Rosenthal, W.:
Molecular biology of diabetes insipidus.
Encyclopedia of Molecular Cell Biology and Molecular Medicine
(Ed. Meyers,R.A.) Wiley-VCH, Weinheim 2004

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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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