Structural Bioinformatics and Protein Design
(Gerd Krause)
Publications
2010
Kleinau G, Haas A-K, Neumann S, Worth CL, Hoyer I, Furkert J, Rutz C, Gershengorn MC, Schuelein R, Krause G (2010)
Signaling-sensitive amino acids surround the allosteric ligand binding site of the thyrotropin receptor
FASEB J in press
Kleinau G, Jaeschke H, Worth CL, Mueller S, Paschke R, Krause G. (2010)
Principles and determinants of G-protein coupling by the rhodopsin-like thyrotropin receptor
PLoS One in press
2009
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’ (http://www.f1000biology.com) 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, Becker M, 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
2008
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’ (http://www.f1000biology.com) 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
Tarnow P, Rediger A, Brumm H, Ambrugger P, Rettenbacher E, Widhalm K, Hinney A, Kleinau G, Schaefer M, Hebebrand J, Krause G, Grüters A, Biebermann H. (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
2007
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 Dec31; 179(7):1497-510
2006
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
2005
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, www.hotthyroidology.com
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
2004
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 , www.hotthyroidology.com
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.
2003
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.
2002
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.
2001
Neumann S, Krause G, Chey S, Paschke R (2001)
A free carboxylate oxygen in the side chain of position 674 in transmembrane domain 7 is necessary for TSH receptor activation.
Mol Endocrinol. 2001 Aug;15(8):1294-305.
Schülein R, Zühlke K, Krause G, Rosenthal W (2001)
Functional rescue of the nephrogenic diabetes insipidus causing vasopressin V2 receptor mutants G185C and R202C by a second site suppressor mutation.
J Biol Chem. 2001 Mar 16;276(11):8384-92.
Monden I, Olsowski A, Krause G, Keller K. (2001)
The large cytoplasmic loop of the glucose transporter GLUT1 is an essential structural element for function.
Biol Chem. 2001 Nov;382(11):1551-8.
Schmidt A, Utepbergenov DI, Krause G, Blasig IE., (2001)
Use of surface plasmon resonance for real-time analysis of the interaction of ZO-1 and occludin.
Biochem Biophys Res Commun. 2001 Nov 16;288(5):1194-9.
Salmon AL, Cross LJM, Irvine AE, Lappin TJR, Dathe M, Canning P, Thim L, Krause G, Bienert M, Shaw C (2001)
Peptide Leucine Argine, a potent immunomodulatory peptide, isolated and structurally characteraized from scin of the leopard frog, Raina pipensens
J Biol Chem. 2001 Mar 30;276(13):10145-52
2000
Krause G, Hermosilla R, Oksche A, Rutz C, Rosenthal W, Schulein R., (2000 )
Molecular and conformational features of a transport-relevant domain The C-terminal tail of the vasopressin V(2) receptor.
Mol Pharmacol. 2000 Feb;57(2):232-42.
Schulz A, Bruns K, Henklein P, Krause G, Schubert M, Gudermann T, Wray V, Schultz G, Schoneberg T (2000)
Requirement of specific intrahelical interactions for stabilizing the inactive conformation of glycoprotein hormone receptors.
J Biol Chem. 2000 Dec 1;275(48):37860-9.
Olsowski A, Monden I, Krause G, Keller K. (2000)
Cysteine scanning mutagenesis of helices 2 and 7 in GLUT1 identifies an exofacial cleft in both transmembrane segments.
Biochemistry. 2000 Mar 14;39(10):2469-74.
1999
Kojro E, Postina R, Gilbert S, Bender F, Krause G, Fahrenholz F (1999)
Structural requirements for V2 vasopressin receptor proteolytic
cleavage.
Eur J Biochem 1999 Dec 1;266(2):538-548
Smalla M, Schmieder P, Kelly M, Ter Laak A, Krause G, Ball L, Wahl M, Bork P, Oschkinat H (1999)
Solution structure of the receptor tyrosine kinase EphB2 SAM domain
and identification of two distinct homotypic interaction sites.
Protein Sci 1999 Oct;8(10):1954-61
Nürnberg B., Tögel W, Krause G., Storm R, Breitweg-Lehmann E, Schunack W (1999)
Non-peptide G-protein activators as promizing tools in cell biology and potential drug leads
Eur. J. Med Chem. (1999) 34: 5-30
1998
Schultz, J.; U. Hoffmüller, G. Krause, J, Ashurst, M.J. Macias, P. Schmieder, J. Schneider-Mergener, H. Oschkinat (1998)
Specific interactions between the syntrophin PDZ damain and voltage gated sodium channels,
Nature - structural biology, 5, 19-24, 1998
Biebermann H, Schoneberg T, Schulz A, Krause G, Gruters A, Schultz G, Gudermann T (1998)
A conserved tyrosine residue (Y601) in transmembrane domain 5 of the human thyrotropin receptor serves as a molecular switch to determine G-protein coupling.
FASEB J. 1998 Nov;12(14):1461-71.
Schulein R, Hermosilla R, Oksche A, Dehe M, Wiesner B, Krause G, Rosenthal W (1998)
A dileucine sequence and an upstream glutamate residue in the intracellular carboxyl terminus of the vasopressin V2 receptor are essential for cell surface transport in COS.M6 cells.
Mol Pharmacol. 1998 Sep;54(3):525-35.
Horn, F., R. Bywater, G. Krause, W. Kuipers, L. Olivera, A.C. M. Paiva, C. Sander, G. Vriend (1998)
The interaction of class B G-protein coupled Receptors with their Hormones,
Receptors and Channels , (1998) 5: 305-315
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
Book chapters
Kühne R, Krause G, Rosenthal W
Entdeckungsstrategien in der Wirkstoffforschung,
in Handbuch der Psychopharmakologie
(Hrsg.: F. Holsboer, G. Gründer, O. Benkert)
Springer Verlag, Heidelberg; in press
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
