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Publications

101. Lategahn, J., M. Keul, D. Rauh*
Lessons to be Learned: The Molecular Basis of Kinase-Targeted Therapies and Drug Resistance in Non-Small Cell Lung Cancer.
Angew Chem Int Ed Engl2017, in press.

100. Kaitsiotou, H., M. Keul, J. Hardick, T. Mühlenberg, J. Ketzer, C. Ehrt, J. Krüll, F. Medda, O. Koch, F. Giordanetto, S. Bauer*, Rauh D*
Inhibitors to overcome secondary mutations in the stem cell factor receptor KIT.
J Med Chem2017, 60(21):8801-15.

99. Engel, J., S. Smith, J. Lategahn, H.L. Tumbrink, L. Goebel, C. Becker, E. Hennes, M. Keul, A. Unger, H. Müller, M. Baumann, C. Schultz-Fademrecht, G. Günther, J.G. Hengstler, D. Rauh*
Structure-Guided Development of Covalent and Mutant-Selective Pyrazolopyrimidines to Target T790M Drug Resistance in Epidermal Growth Factor Receptor.
J Med Chem2017, 60(18):7725-44.

98. Bührmann, M., J. Hardick, J. Weisner, L. Quambusch, D. Rauh*
Covalent Lipid Pocket Ligands Targeting p38α MAPK Mutants.
Angew Chem Int Ed Engl2017, 56(43):13232-36.

97. Brägelmann J., M.A. Dammert, F. Dietlein, J.M. Heuckmann, A. Choidas, S. Böhm, A. Richters, D. Basu, V. Tischler, C. Lorenz, P- Habenberger, Z. Fang, S. Ortiz-Cuaran, F. Leenders, J. Eickhoff, U. Koch, M. Getlik, M. Termathe, M. Sallouh, Z. Greff, Z. Varga, H. Balke-Want, C.A. French, M. Peifer, H.C. Reinhardt, L. Örfi, G. Kéri, S. Ansén, L.C. Heukamp, R. Büttner, D. Rauh, B.M. Klebl, R.K. Thomas, M.L. Sos*
Systematic Kinase Inhibitor Profiling Identifies CDK9 as a Synthetic Lethal Target in NUT Midline Carcinoma.
Cell Rep, 2017, 19(20):2833-45.

96. Bührmann, M., B.M. Wiedemann, M.P. Müller, J. Hardick, M. Ecke, D. Rauh*
Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38α MAPK.
PLoS ONE2017, 12(9):e0184627.

95. Tomassi, S., J. Lategahn, J. Engel, M. Keul, H.L. Tumbrink, J. Ketzer, T. Mühlenberg, M. Baumann, C. Schultz-Fademrecht, S. Bauer, D. Rauh*
Indazole-Based Covalent Inhibitors To Target Drug-Resistant Epidermal Growth Factor Receptor.
J Med Chem, 2017, 60(6):2361-72.

94. Smith, S., M. Keul, J. Engel, D. Basu, S. Eppmann, D. Rauh*
Characterization of Covalent-Reversible EGFR Inhibitors.
ACS Omega, 2017, 2(4):1563-1575.

93. Robke, L., L. Laraia, M.A. Carnero Corrales, G. Konstantinidis, M. Muroi, A. Richters, M. Winzker, T. Engbring, S. Tomassi, N. Watanabe, H. Osada, D. Rauh, H. Waldmann*, Y.W. Wu, J. Engel
Phenotypic Identification of a Novel Autophagy Inhibitor Chemotype Targeting Lipid Kinase VPS34.
Angew Chem Int Ed Engl, 2017, 56(28):8153-57.

92. Halekotte J., L. Witt, C. Ianes, M. Krüger, M. Bührmann, D. Rauh, C. Pichlo, E. Brunstein, A. Luxenburger, U. Baumann, U. Knippschild, J. Bischof, C. Peifer*
Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1δ and Their Structural Relation to p38α MAPK.
Molecules, 2017, 22(4). pii: E522. doi: 10.3390/molecules22040522.

91. Wentsch, H.K., N.M. Walter, M. Bührmann, S. Mayer-Wrangowski, D. Rauh, G.J.R. Zaman, N. Willemsen-Seegers, R.C. Buijsman, M. Henning, D. Dauch, L. Zender, S. Laufer*
Optimized Target Residence Time: Type I1/2 Inhibitors for p38α MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew Chem Int Ed Engl, 2017, 56(19):5363-67.

90. Günther, M., J. Lategahn, M. Juchum, E. Döring, M. Keul, J. Engel, H.L. Tumbrink, D. Rauh, S.A. Laufer*
Trisubstituted Pyridinylimidazoles as Potent Inhibitors of the Clinically Resistant L858R/T790M/C797S EGFR Mutant: Targeting of Both Hydrophobic Regions and the Phosphate Binding Site.
J Med Chem, 2017, 60(13):5613-37.

89. Walter, N.M., H.K. Wentsch, M. Bührmann, S.M. Bauer, E. Döring, S. Mayer-Wrangowski, A. Sievers-Engler, N. Willemsen-Seegers, G. Zaman, R. Buijsman, M. Lämmerhofer, D. Rauh, S.A. Laufer*
Design, Synthesis and Biological Evaluation of Novel Type I½ p38α MAP Kinase Inhibitors with Excellent Selectivity, High Potency and Prolonged Target Residence Time by Interfering with the R Spine.
J Med Chem, 2017, 60(19):8027-54.

88. Radi, M., R. Schneider, A.L. Fallacara, L. Botta, E. Crespan, C. Tintori, G. Maga, M. Kissova, A. Calgani, A. Richters, F. Musumeci, D. Rauh, S. Schenone*
A cascade screening approach for the identification of Bcr-Abl myristate pocket binders active against wild type and T315I mutant.
Bioorganic & Med Chem Let2016, 26(15):3436-40.

87. Engel, J., C. Becker, J. Lategahn, M. Keul, J. Ketzer, T. Mühlenberg, K. Kollipara, C. Schultz-Fademrecht, R. P. Zahedi, S. Bauer, D. Rauh*
Insights into the inhibition of drug-resistant EGFR.
Angew Chem Int Ed Engl, 2016, 55(36):10909-12.

86. Becker, C., S. Öcal, H.D. Nguyen, T. Phan, M. Keul, J.R. Simard, D. Rauh*
Monitoring conformational changes in the receptor tyrosine kinase EGFR.
ChemBioChem, 2016, 17(11):990-4.

85. Engel, J., J. Lategahn, D. Rauh*
Hope and Disappointment: Covalent Inhibitors to Overcome Drug Resistance in Non-Small Cell Lung Cancer.
ACS Med Chem Lett, 2015, 7(1):2-5.

84. D. Rauh
Special Issue Focused on Two Areas Pertinent to Chemical Biology: Post-Translational Modifications and New Frontiers on Kinases.
ACS Chem Biol, 2015, 7(1):2-5.

83. Schöttle, J., S. Chatterjee, C. Volz, M. Siobal, A. Florin, D. Rokitta, Y. Hinze, F. Dietlein, D. Plenker, K. König, K. Albus, J.M. Heuckmann, D. Rauh, T. Franz, B. Neumaier, U. Fuhr, L.C. Heukamp, R.T. Ullrich*
Intermittent high-dose treatment with erlotinib enhances therapeutic efficacy in EGFR-mutant lung cancer.
Oncotarget, 2015, 6(36):38458-68.

82. Engel, J., A. Richters, M. Getlik, S. Tomassi, M. Keul, M. Termathe, J. Lategahn, C. Becker, S. Mayer-Wrangowski, C. Grütter, N. Uhlenbrock, J. Krüll, N. Schaumann, S. Eppmann, P. Kibies, F. Hoffgaard, J. Heil, S. Menninger, S. Ortiz-Cuaran, J.M. Heuckmann, V. Tinnefeld, R.P. Zahedi, M.L. Sos, C. Schultz-Fademrecht, R.K. Thomas, S.M. Kast*, D. Rauh*
Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J Med Chem, 2015, 58(17):6844-63.

81. Weisner, J., R. Gontla, L. van der Westhuizen, S. Oeck, J. Ketzer, P. Janning, A. Richters, T. Mühlenberg, Z. Fang, A. Taher, V. Jendrossek, S.C. Pelly, S. Bauer, W.A.L. van Otterlo, D. Rauh*
Covalent-Allosteric Kinase Inhibitors.
Angew Chem Int Ed Engl, 2015, 54(35):10313-6.

80. Mayer-Wrangowski, S.C., D. Rauh*
Monitoring ligand induced conformational changes for the identification of estrogen receptor agonists and antagonists.
Angew Chem Int Ed Engl, 2015, 54(14):4379-82.

79. Schröder, P., T. Förster, S. Kleine, C. Becker, A. Richters, S. Ziegler, D. Rauh, K. Kumar, H. Waldmann*
Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4.
Angew Chem Int Ed Engl, 2015, 54(42):12398-403.

78. Dietlein, F., B. Kalb, M. Jokic, E.M. Noll, A. Strong, L. Tharun, L. Ozretińá, H. Künstlinger, K. Kambartel, W.J. Randerath, C. Jüngst, A. Schmitt, A. Torgovnick, A. Richters, D. Rauh, F. Siedek, T. Persigehl, C. Mauch, J. Bartkova, A. Bradley, M.R. Sprick, A. Trumpp, R. Rad, D. Saur, J. Bartek, J. Wolf, R. Büttner, R.K. Thomas, H.C. Reinhardt*
A Synergistic Interaction between Chk1- and MK2 Inhibitors in KRAS-Mutant Cancer.
Cell, 2015, 162(1):146-59.

77. Basu, D., A. Richters, D. Rauh*
Structure-based design and synthesis of covalent-reversible inhibitors to overcome drug resistance in EGFR.
Bioorg Med Chem, 2015, 23(12):2767-80.

76. Richters, A., D. Basu, J. Engel, M.S. Ercanoglu, H. Balke-Want, R. Tesch, R.K. Thomas, D. Rauh*
Identification and Further Development of Potent TBK1 Inhibitors
ACS Chem Biol, 2015, 10(1):289-98.

75. Fang, Z., J.R. Simard, D. Plenker, H.D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh*
Discovery of Inter-Domain Stabilizers - A Novel Assay System for Allosteric Akt Inhibitors.
ACS Chem Biol, 2015, 10(1):279-88.

74. Simard*, J.R., D. Rauh*
FLiK: A Direct-Binding Assay for the Identification and Kinetic Characterization of Stabilizers of Inactive Kinase Conformations.
Methods Enzymol, 2014, 548:147-71.

73. Tintori, C., A.L. Fallacara, M. Radi, C. Zamperini, E. Dreassi, E. Crespan, G. Maga, S. Schenone, F. Musumeci, C. Brullo, A. Richters, F. Gasparrini, A. Angelucci, C. Festuccia, S. Delle Monache, D. Rauh, M. Botta*
Combining X-ray Crystallography and Molecular Modeling toward the Optimization of Pyrazolo[3,4-d]pyrimidines as Potent c-Src Inhibitors Active in Vivo against Neuroblastoma.
J Med Chem, 2014, 58(1):347-61.

72. Richters, A., H.D. Nguyen, T. Phan, J.R. Simard, C. Grütter, J. Engel, D. Rauh*
Identification of type II and III DDR2 inhibitors.
J Med Chem, 2014, 57(10):4252-62.

71. Tziridis, A., D. Rauh, P. Neumann, P. Kolenko, A. Menzel, U. Bräuer, C. Ursel, P. Steinmetzer, J. Stürzebecher, A. Schweinitz, T. Steinmetzer, M.T. Stubbs*
Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol Chem, 2014, 395(7-8):891-903.

70. Malchers, F., F. Dietlein, J. Schöttle, X. Lu, L. Nogova, K. Albus, L. Fernandez-Cuesta, J. M. Heuckmann, O. Gautschi, J. Diebold, D. Plenker, M. Gardizi, M. Scheffler, M. Bos, D. Seidel, F. Leenders, A. Richters, M. Peifer, A. Florin, P.S. Mainkar, N. Karre, S. Chandrasekhar, J. George, S. Silling, D. Rauh, T. Zander, R. T. Ullrich, H.C. Reinhardt, F. Ringeisen, R. Büttner, L.C. Heukamp, J. Wolf, R.K. Thomas*
Cell-autonomous and non-cell-autonomous mechanisms of transformation by amplified FGFR1 in squamous-cell lung cancer.
Cancer Discovery, 2014, 4(2):246-57.

69. D. Rauh
A special thematic compilation/special issue crossover with Biochemistry,Journal of Medicinal Chemistry, and ACS Medicinal Chemistry Letters focused on kinases.
ACS Chem Biol, 2014, 9(3):579-80

68. Baur, B., K. Storch, K.E. Martz, M.I. Goettert, A. Richters, D. Rauh and S.A. Laufer*
Metabolically Stable Dibenzo[b,e]oxepin-11(6H)-ones as Highly Selective p38 MAP Kinase Inhibitors: Optimizing Anti-Cytokine Activity in Human Whole Blood.
J Med Chem, 2013, 56(21):8561-78.

67. Grütter, C., S. Sreeramulu, G. Sessa, D. Rauh*
Structural characterization of the RLCK family member BSK8: A pseudokinase with an unprecedented architecture.
J Mol Biol, 2013, 425(22):4455-67.

66. Richters, A., J. Ketzer, C. Grütter, M. Getlik, R. Schneider, J.M. Heuckmann, S. Heynck, M.L. Sos, A. Gupta, A. Unger, C. Schultz-Fademrecht, R.K. Thomas, S. Bauer*, D. Rauh*
Targeting Gain of Function and Resistance Mutations in Abl and KIT by Hybrid Compound Design.
J Med Chem, 2013, 56(14):5757-72.

65. Schneider, R., A. Gohla, J.R. Simard, D.B. Yadav, Z. Fang, W.A.L. van Otterlo, D. Rauh*
Overcoming compound fluorescence in the FLiK screening assay with red-shifted fluorophores.
J Am Chem Soc, 2013, 135(22):8400-8

64. Schneider, R., C. Beumer, J.R. Simard, C. Grütter, D. Rauh*
Selective Detection of Allosteric Phosphatase Inhibitors.
J Am Chem Soc, 2013,135(18):6838-4.

63. Urich, R., G. Wishart, M. Kiczun, A. Richters, N. Tidten-Luksch, D. Rauh, B. Sherborne, P.G. Wyatt* and R. Brenk*
De novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments.
ACS Chem Biology, 2013, 8(5):1044-52.

62. Sreeramulu, S., Y. Mostizky, H. Nahum, L. Amram, E. Shani, C. Grütter, D. Rauh, N. Ori, G. Sessa*
BSKs are partially redundant positive regulators of brassinosteroid signaling in Arabidopsis.
Plant Journal, 2013, 74(6):905-19.

61. Antonchick, A.P, S. López-Tosco, J. Parga, S. Sievers, M. Schürmann, H. Preut, S. Höing, H.R. Schöler, J. Sterneckert, D. Rauh, H. Waldmann*
Highly Enantioselective Catalytic Synthesis of Neurite Growth-Promoting Secoyohimbanes.
Chemistry & Biology, 2013, 20(4):500-9.

60. Fang, Z., C. Grütter, D. Rauh*
Strategies for the Selective Regulation of Kinases with Allosteric Modulators - Exploiting Exclusive Structural Features.
ACS Chem Biol, 2013, 8(1):58-70.

59. Rauh, D.
Chemical Biology – current and next challenges.
ACS Chem Biol, 2013, 8(1):1-2.

58. Chatterjee, S., L.C. Heukamp, M. Siobal, J. Schöttle, C. Wieczorek, M. Peifer, D. Frasca, M. Koker, K. König, L. Meder, D. Rauh, R. Büttner, J. Wolf, R.A. Brekken, B. Neumaier, G. Christofori, R.K. Thomas, R.T. Ullrich*
Tumor VEGF:VEGFR2 autocrine feed-forward loop triggers angiogenesis in lung cancer.
J Clin Invest, 2013, 123(4):1732-40.

57. Fischer, S., H.K. Wentsch, S.C. Mayer-Wrangowski, M. Zimmermann, S.M. Bauer, K. Storch, R. Nieß, S.C. Koeberle, C. Grütter, F.M. Böckler, D. Rauh and S.A. Laufer*
Dibenzosuberones as p38 MAP kinase inhibitors with low ATP competitiveness and outstanding whole blood activity.
J Med Chem, 2013, 56(1):241-53.

56. Over, B., S. Wetzel, C. Grütter, Y. Nakai, S. Renner, D. Rauh, H. Waldmann*
Natural product derived fragments for fragment-based ligand discovery.
Nat Chem, 2013, 5(1):21-8.

55. Sos, M.L., F. Dietlein, M. Peifer, H. Balke-Want, C. Müller, M. Koker, A. Richters, S. Heynck, J. Schöttle, F. Malchers, J.M. Heuckmann, D. Seidel, L.e Fernandez-Cuesta, P. Eyers, A.P. Antonchick, V.V. Vintonyak, P.M. Schneider, T. Ninomiya, D. Rauh, L.C. Heukamp, R.K. Thomas*
A framework for identification of actionable cancer genome dependencies in small cell lung cancer.
Proc Natl Acad Sci, 2012, 109(42):17034-9.

54. Martz, K., A. Dorn, B. Baur, V. Schattel, M. Goettert, S. Mayer-Wrangowski, D. Rauh, S.A. Laufer*
Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38alpha Inhibitors.
J Med Chem, 2012, 55(17):7862-74.

53. Koeberle, S.C., S. Fischer, D. Schollmeyer, V. Schattel, C. Grütter, D. Rauh, S.A. Laufer*
Design, Synthesis, and Biological Evaluation of Novel Disubstituted Dibenzosuberones as Highly Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase.
J Med Chem, 2012, 55(12):5868-77.

52. Peifer, M., L. Fernández-Cuesta, M.L. Sos, J. George, D. Seidel, L.H. Kasper, D. Plenker, F. Leenders, R. Sun, T. Zander, R. Menon, M. Koker, I. Dahmen, C. Müller, D. Di Cerbo, H.U. Schildhaus, J. Altmüller, I. Baessmann, C. Becker, B. de Wilde, J. Vandesompele, D. Böhm, S. Ansén, F. Gabler, I. Wilkening, S. Heynck, J.M. Heuckmann, X. Lu, S.L. Carter, K. Cibulskis, S. Banerji, G. Getz, K.S. Park, D. Rauh, C. Grütter, M. Fischer, L. Pasqualucci, G. Wright, Z. Wainer, P. Russell, I. Petersen I, Y. Chen, E. Stoelben, C. Ludwig, P. Schnabel, H. Hoffmann, T. Muley, M. Brockmann, W. Engel-Riedel, L.A. Muscarella, V.M. Fazio, H. Groen, W. Timens, H. Sietsma, E. Thunnissen, E. Smit, D.A. Heideman, P.J. Snijders, F. Cappuzzo, C. Ligorio, S. Damiani, J. Field, S. Solberg, O.T. Brustugun, M. Lund-Iversen, J. Sänger, J.H. Clement, A. Soltermann, H. Moch, W. Weder, B. Solomon, J.C. Soria, P. Validire, B. Besse, E. Brambilla, C. Brambilla, S. Lantuejoul, P. Lorimier, P.M. Schneider, M. Hallek, W. Pao, M. Meyerson, J. Sage, J. Shendure, R. Schneider, R. Büttner, J. Wolf, P. Nürnberg, S. Perner, L.C. Heukamp, P.K. Brindle, S. Haas, R.K. Thomas*
Integrative genome analyses identify key somatic driver mutations of small-cell lung cancer.
Nat Genet, 2012, 44(10):1104-10.

51. Heuckmann, J., D. Rauh, R.K. Thomas*
Epidermal Growth Factor Receptor (EGFR) Signaling and Covalent EGFR Inhibition in Lung Cancer.
J Clin Oncol, 2012, 30(27):3417-20.

50.  Brenk*, R., D. Rauh*
Change or be changed: Reflections of the workshop 'Future in Medicinal Chemistry'.
Bioorg Med Chem, 2012,15;20(12):3695-7.

49.  Grütter, C, J.R. Simard, S.C. Mayer-Wrangowski, P.H. Schreier, J. Pérez-Martín, A. Richters, M. Getlik, O. Gutbrod, C.A. Braun, M.E. Beck,D. Rauh*
Targeting GSK3 from Ustilago maydis: Type-II kinase inhibitors as potential antifungals.
ACS Chem Biol, 2012, 20;7(7):1257-67.

48. Schneider, R., C. Becker, J.R. Simard, M. Getlik, N. Bohlke, P. Janning, D. Rauh*
A direct binding assay for the detection of type IV allosteric inhibitors of Abl.
J Am Chem Soc, 2012, 6;134(22):9138-41.

47. Getlik, M., J.R. Simard, M. Termathe, C. Grütter, M. Rabiller, W.A.L. van Otterlo, D. Rauh*
Fluorophore labeled kinase detects that bind within the MAPK insert of p38α kinase.
PLoS ONE, 2012,7(7):e39713.

46. Koch, A., H. Rode, A. Richters, D. Rauh*, S. Hauf*
A chemical genetic approch for covalent inhibition of analog-sensitive Aurora kinase in fission yeast.
ACS Chem Biol, 2012,7(4):723-3.

45. Getlik, M., C. Grütter, J. R. Simard, H. D. Nguyen, A. Robubi, B. Aust, W. A. L. van Otterlo* and D. Rauh*
Structure-based design, synthesis and biological evaluation of N-pyrazole, N'-thiazole urea inhibitors of MAP kinase p38α.
Eur J Med, 2012, 48:1-15.

44. Köberle, S.C., J. Romir, S. Fischer, A. Köberle, V. Schattel, W. Albrecht, C. Grütter, O. Werz, D. Rauh, T. Stehle, S.A. Laufer*
Skepinone-L: a p38 mitogen activated protein kinase (MAPK) inhibitor with unsurpassed selectivity and outstanding in vivo efficacy.
Nat Chem Biol , 2011, 8(2):141-43.

43. Heuckmann, J.M., M. Hölzel, M.L. Sos, S. Heynck, H. Balke-Want, M. Koker, M. Peifer, J. Weiss, C.M. Lovly, C. Grütter, D. Rauh, W. Pao, R.K. Thomas*
ALK mutations conferring differential resistance to structurally diverse ALK inhibitors.
Clin Cancer Res, 2011, 17(23):7394-401.

42. Tückmantel, S., J.N. Greul, P. Janning, A. Brockmeyer, C. Grütter, J.R. Simard, O. Gutbrod, M.E. Beck, K. Tietjen, D. Rauh*, P.H. Schreier*
Identification of fungal Aurora kinase as a prominent target for N-substituted diaminopyrimidines.
ACS Chem Bio, 2011, 6(9):926-33.

41. Vintonyak, V.V., K. Warburg, B. Over, K. Hübel, D. Rauh, H. Waldmann*
Identification and further development of thiazolidinones spiro-fused to indolin-2-ones as potent and selective inhibitors of Mycobacterium tuberculosis Protein Tyrosine Phosphatase B.
Tetrahedron, 2011, 67(35):6713-29.

40. Hammerman, P.S., M.S. Sos, A.H. Ramos, C. Xu, A. Dutt, W. Zhou, L.E. Brace, B.A. Woods, W. Lin, J. Zhang, X. Deng, S.M. Lim, S. Heynck, M. Peifer, J.R. Simard, M.S. Lawrence, R.C. Onofrio, H.B. Salvesen, D. Seidel, T. Zander, J.M. Heuckmann, A. Soltermann, H. Moch, M. Koker, F. Leenders, F. Gabler, S. Querings, S. Ansén, E. Brambilla, C. Brambilla, P. Lorimier, O.T. Brustugun, A. Helland, I. Petersen, J.H. Clement, H. Groen, W. Timens, H. Sietsma, E. Stoelben, J. Wolf, D.G. Beer, M.S. Tsao, M. Hanna, C. Hatton, M.J. Eck, P.A. Jänne, B.E. Johnson, W. Winckler, H. Greulich, A.J. Bass, J. Cho, D. Rauh, N.S. Gray, K.K. Wong, E.B. Haura, R.K. Thomas* and M. Meyerson*
Mutations in the DDR2 kinase gene identify a novel therapeutic target in squamous cell lung cancer.
Cancer Discovery2011, 1(1):78-89.

Cover story

39.  Vintonyak, V.V., H. Waldmann*, D. Rauh*
Using small molecules to target protein phosphatases.
Bioorg Med Chem, 2011, 19(7):2145-55.

38. Rode, H., M.L. Sos, C. Grütter, S. Heynck, J.R. Simard, D. Rauh*
Synthesis and biological evaluation of 7-substituted-1-(3-bromophenylamino) isoquinoline-4-carbonitriles as inhibitors of Myosine Light Chain Kinase and Epidermal Growth Factor Receptor.
Bioorg Med Chem, 2011, 19(1):429-39.

37. Klüter, S., J. Simard, H. Rode, C. Grütter, M. Rabiller, W. van Otterlo, D. Rauh*
Characterization of irreversible kinase inhibitors by detecting fluorescent changes during covalent bond formation.
ChemBioChem, 2010, 11(18):2557-6.

36. Weiss, J., M. Sos*, D. Seidel, M. Peifer, T. Zander, J. Heuckmann, R. Ullrich, R. Menon, S. Maier, A. Soltermann, H. Moch, P. Wagener, F. Fischer, S. Heynck, M. Koker, J. Schöttle, F. Leenders, F. Gabler, I. Dabow, S. Querings, L. Heukamp, H. Balke-Want, S. Ansén, D. Rauh, I. Baessmann, J. Altmüller, Z.Wainer, M. Conron, G. Wright, B. Solomon, E. Brambilla, C. Brambilla, P. Lorimier, S. Solberg, O. T. Brustgun, W. Engel-Riedel, C. Ludwig, I. Petersen, J. Sänger, J. Clement, H. Groen, W. Timens, H. Sietsma, E. Thunnissen, E. Smit, D. Heideman, F. Cappuzzo, C. Ligorio, S. Damiani, R. Beroukhim, W. Pao, B. Klebl, M. Baumann, R. Buettner, K. Ernestus, E. Stoelben, J. Wolf, P. Nürnberg, S. Perner, R. Thomas*
Frequent and focal FGFR1 amplification associates with therapeutically tractable FGFR1 dependency in squamous-cell lung cancer.
Sci Transl Med, 2010, 2(62):62-9.

35. Robubi, A., H. Waldmann, D. Rauh*
RAF kinase inhibitors in cancer treatment: like a bull in a china shop?
ChemBioChem, 2010, 11(12):1645-8.

34. Vintonyak, V.V., K. Warburg, H. Kruse, S. Grimme, K. Hübel, D. Rauh and H. Waldmann*
Identification of Spiro-fused Indolin-2-one-thiazolidinones as Potent and Selective Inhibitors of Mycobacterium tuberculosis Protein Tyrosine Phosphatase B.
Angew Chem Int Ed Engl, 2010, 49(34):5902-5.

33. Antonchick, A. C. Gerding-Reimers, M. Catarinella, S. Ziegler, D. Rauh and H. Waldmann*
Highly Enantioselective Synthesis and Cellular Evaluation of Natural Product-Inspired Spirooxindoles.
Nature Chemistry, 2010, 2(9):735-40.

32. Dekker, F.J., O. Rocks, N. Vartak, S. Menninger, C. Hedberg, R. Balamurugan, S. Wetzel, S. Renner, M. Gerauer, B. Schölermann, M. Rusch, J.W. Kramer, D. Rauh, G.W. Coates, L. Brunsveld, P.I. Bastiaens*,  H. Waldmann*
Small-molecule inhibition of APT1 affects Ras localization and signaling.
Nat Chem Biol, 2010, 6(6):449-56.

31. Wetzel, S., W. Wilk, S. Chammaa, B. Sperl, A. Roth, A. Yektaoglu, S. Renner, T. Berg, C. Arenz, A. Giannis, T.I. Oprea, D. Rauh, M. Kaiser, H. Waldmann*
A Scaffold-Tree-Merging Strategy for Prospective Bioactivity Annotation of gamma-Pyrones.
Angew Chem Int Ed Engl, 2010, 49(21):3666-70.

30. Pawar, V., M. Sos, H. Rode, M. Rabiller, S. Heynck, W. van Otterlo, R. Thomas, D. Rauh*
Synthesis and biological evaluation of 4-anilinoquinolines as potent inhibitors of EGFR.
J Med Chem, 2010, 53(7):2892-901.

29. Rabiller, M., M. Getlik, S. Klüter, S. Tückmantel, A. Richters, J.R. Simard, D. Rauh*
Proteus in the World of Proteins: Conformational Changes in Protein Kinases.
Archiv der Pharmazie (Weinheim), 2010, 343(4):193-206.

28. Simard, J.R., M. Getlik, C. Grütter, R. Schneider, S. Wulfert, D. Rauh*
Fluorophore-labeling of the glycine-rich loop as a method of identifying inhibitors which bind to active and inactive kinase conformations.
J Am Chem Soc, 2010, 132(12):4152-60.

27. Peifer, M., J. Weiss, M.L. Sos, M. Koker, S. Heynck, C. Netzer, S. Fischer, H. Rode, D. Rauh, J. Rahnenführer and R.K. Thomas*
Analysis of compound synergy in high-throughput cellular screens by population-based lifetime modeling.
PLoS ONE, 2010, 5(1):e8919.

26. Sos, M., H. Rode, S. Heynck, M. Peifer, F. Fischer, S. Klüter, V. Pawar, C. Reuter, J. Heuckmann, J. Weiss, L. Ruddigkeit, M. Rabiller, M. Koker, J. Simard, M. Getlik, R.K. Thomas* and D. Rauh*
Chemogenomic Profiling Provides Insights into the Limited Activity of Irreversible EGFR Inhibitors in Tumor Cells Expressing the T790M EGFR Resistance Mutation.
Cancer Research, 2010, 70(3):868-74.

25. Klüter, S., C. Grütter, M. Rabiller, V. Pawar, M. Getlik, J.R. Simard, D. Rauh*
Structure-based development of a displacement assay for the detection of stabilizers of inactive kinase conformations.
J Med Chem, 2010, 53(1):357-67.

24. Simard, J.R., C. Grütter, V. Pawar, B. Aust, A. Wolf, M. Rabiller, S. Wulfert, A. Robubi, S. Klüter, C. Ottmann, D. Rauh*
High-throughput screening to identify inhibitors which stabilize inactive kinase conformations in p38α.
J Am Chem Soc, 2009, 131(51):18478-88.

23. Sos, M., S. Fischer, R. Ullrich, M. Peifer, J. Heuckmann, M. Koker, S. Heynck, I. Stückrath, J. Weiss, F. Fischer, A. Goel, L. Regales, K. Politi, S. Perera, M. Getlik, L. Heukamp, S. Ansen, T. Zander, R. Beroukhim, H. Kashkar, K. Shokat, W. Sellers, D. Rauh, C. Orr, K. Hoeflich, L. Friedman, K. Wong, W. Pao, R. Thomas*
Identifying genotype-dependent efficacy of single and combined PI3K- and MAPK-pathway inhibition in cancer.
Proc Natl Acad Sci, 2009, 106, 18351-6.

22. Simard, J.R., M. Getlik, C. Grütter, V. Pawar, D. Rauh*
Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J Am Chem Soc, 2009, 131(37):13286-96.
This article was highlighted in Faculty of 1000 Biology
Cover story.
jacs

21. Getlik, M., C. Grütter, J. Simard, S. Klüter, M. Rabiller, H.B. Rode, A. Robubi, D. Rauh*
Hybrid Compound Design To Overcome the Gatekeeper T338M Mutation in cSrc.
J Med Chem, 2009, 52(13):3915-26.

20. Simard, J.R., S. Klüter, C. Grütter, M. Rabiller, H.B. Rode, D. Rauh*
A new screening assay for allosteric inhibitors of cSrc.
Nat Chem Biol, 2009, 5(6):394-6.
This article was highlighted in Faculty of 1000 Biology

19. Sos, M.L., K. Michel, T. Zander, J. Weiss, P. Frommolt, M. Peifer, D. Li, R. Ullrich, M. Koker, F. Fischer, T. Shimamura, D. Rauh, C. Mermel, S. Fischer, I. Stückrath, S.  Heynck, R. Beroukhim, W. Lin, W. Winckler, K. Shah, T. LaFramboise, W.F. Moriarty, M. Hanna, L. Tolosi, J. Rahnenführer, R. Verhaak, D. Chiang, G. Getz, M. Hellmich, J. Wolf, L. Girard, M. Peyton, B.A. Weir, T.-H. Chen, H. Greulich, J. Barretina, G.I. Shapiro, L.A. Garraway, A.F. Gazdar, J.D. Minna, M. Meyerson*, K.-K. Wong* and R.K. Thomas*
Predicting drug activity in non-small cell lung cancer based on genetic lesions.
J Clin Invest, 2009, 19(6):1727-40.

18. Simard, J.R., D. Rauh*
Chemical and Structural Biology to Direct the Repurposing of Sulindac.
ChemMedChem, 2009, 4, 1793-5.

17. Vintonyak, V.V., A.P. Antonchick, D. Rauh*, H. Waldmann*
The Therapeutic Potential of Phosphatase Inhibitors.
Curr Opin Chem Biol, 2009, 13(3):272-83.

16. Renner, S., W. van Otterlo, M. Dominguez Seoane, S. Möcklinghoff, B. Hofmann, S. Wetzel, A. Schuffenhauer, P. Ertl, T. Oprea, D. Steinhilber, L. Brunsveld, D. Rauh, H. Waldmann*
Bioactivity-Guided Mapping of and Navigation in Chemical Space.
Nat Chem Biol, 2009, 5(8):585-92.

15. Wetzel, S., K. Klein, S. Renner, D. Rauh, T. Oprea, P. Mutzel, H. Waldmann*
Interactive Exploration of Chemical Space with Scaffold Hunter.
Nat Chem Biol, 2009, 5(8):581-3.

14. Michalczyk, A., S. Klüter, H.B. Rode, J.R. Simard, C. Grütter, M. Rabiller, D. Rauh*
Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR.
Bioorg Med Chem, 2008, 16(7): p. 3482-8.

13. Bateman, R., D. Rauh, B. Tavshanjian, and K.M. Shokat*
Human carbonyl reductase 1 is an S-nitrosogluathione reductase.
J Biol Chem, 2008, 283(51): p. 35756-62.

12. Kopycki, J.G., D. Rauh (co-first author), A.A. Chumanevich, P. Neumann, T. Vogt, and M.T. Stubbs*
Biochemical and structural analysis of substrate promiscuity in plant Mg2+-dependent O-methyltransferases.
J Mol Biol, 2008, 378(1): p. 154-64.

11. Triola, G., S. Wetzel, B. Ellinger, M. Koch, K. Hübel, D. Rauh, and H. Waldmann*
ATP competitive inhibitors of d-alanine-d-alanine ligase based on protein kinase inhibitor scaffolds.
Bioorg Med Chem, 2009, 17(3): p. 1079-87. Epub 2008.

10. Rauh*, D. and H. Waldmann
Symbiose aus Chemie und Biologie zum Studium von Proteinfunktionen.
Angewandte Chemie, 2007, 119(6): p. 840-4.
Linking chemistry and biology for the study of protein function.
Angew Chem Int Ed Engl, 2007, 46(6): p. 826-9.

9. Blair, J.A., D. Rauh, C. Kung, C.H. Yun, Q.W. Fan, H. Rode, C. Zhang, M.J. Eck, W.A. Weiss, and K.M. Shokat*
Structure-guided development of affinity probes for tyrosine kinases using chemical genetics.
Nat Chem Biol, 2007, 3(4): p. 229-38.

8. Bateman, R., D. Rauh, and K.M. Shokat*
Glutathione traps formaldehyde by formation of a bicyclo[4.4.1]undecane adduct.
Org Biomol Chem, 2007, 5(20): p. 3363-70.

7. Simon, M.D., M.E. Feldman, D. Rauh, A.E. Maris, D.E. Wemmer, and K.M. Shokat*
Structure and properties of a re-engineered homeodomain protein-DNA interface.
ACS Chem Biol, 2006, 1(12): p. 755-60.

6. Tanaka, M., R. Bateman, D. Rauh, E. Vaisberg, S. Ramachandani, C. Zhang, K.C. Hansen, A.L. Burlingame, J.K. Trautman, K.M. Shokat*, and C.L. Adams
An unbiased cell morphology-based screen for new, biologically active small molecules.
PLoS Biol, 2005, 3(5): p. e128.
Cover story

5. Rauh, D., G. Klebe, and M.T. Stubbs*
Understanding protein-ligand interactions: the price of protein flexibility.
J Mol Biol, 2004, 335(5): p. 1325-41.

4. Rauh, D., G. Klebe, J. Stürzebecher, and M.T. Stubbs*
ZZ made EZ: influence of inhibitor configuration on enzyme selectivity.
J Mol Biol, 2003, 330(4): p. 761-70.

3. Radau*, G., J. Gebel, and D. Rauh
New cyanopeptide-derived low molecular weight thrombin inhibitors.
Arch Pharm (Weinheim), 2003, 336(8): p. 372-80.

2. Rauh, D., S. Reyda, G. Klebe, and M.T. Stubbs*
Trypsin mutants for structure-based drug design: expression, refolding and crystallisation.
Biol Chem, 2002, 383(7-8): p. 1309-14.

1. Radau*, G. and D. Rauh
Synthesis of a cyanopeptide-analogue with trypsin activating properties.
Bioorg Med Chem Lett, 2000, 10(8): p. 779-81.

 

 

Book chapters and non-peer reviewed articels

 

1. Rabiller, M., D. Rauh*
Surgical strikes: Uses of analog sensitive technologies to target kinases of interest
In: Chemical Biology. Learning through Case Studies (H. Waldmann, P. Janning, eds.) Wiley VCH, 2009.

2. Simard, J.R, D. Rauh*
Screening for allosteric kinase inhibitors in high-throughput: A novel fluorescence approach for detecting DFG-out kinase inhibitors.
SCREENING -Trends in Drug Discovery, Wiley GIT, 2009.

3. D. Rauh
Inaktive Kinasekonformationen stabilisieren.
Nachrichten aus der Chemie, Gesellschaft Deutscher Chemiker, 2010, 58(2)

4. Rabiller, M., J.R. Simard, D. Rauh*
Dissecting Phosphorylation Networks: The Use of Analogue-Sensitive Kinases and More Specific Kinase Inhibitors as Tools
In: Protein Kinases as Drug Targets (B. Klebl, G. Müller and M. Hamacher) Wiley VCH, 2011.

5. Simard, J.R, D. Rauh*
Fluorescence Labels in Kinases (FLiK): A High-Throughput Kinase Binding Assay for the Identification of DFG-out Binding Ligands
Methods Mol Biol. 2012;800:95-117.

6. Rabiller, M., D. Rauh*
Chemische Biologie – innovative chemische Ansätze zum Studium biologischer Fragestellungen
Bioanalytik, (F. Lottspeich, J. Engels, eds.) Spektrum Akademischer Verlag, 2012.

7. Mayer-Wrangowski, S., D. Rauh*
Symbiose aus Chemie und Medizin - Zielgerichtet gegen Krebs
BIOspektrum, 2012, 18(4):376:79.

8. Simard* J.R. and D. Rauh*
FLiK and FLiP: Direct Binding Assay for the Identification of Stabilizers of Inactive Kinase and Phosphatase Conformations.
In: Concepts and Case Studies in Chemical Biology. (H. Waldmann, P. Janning, eds.) Wiley VCH, 2014.

 

Patent applications

 

1. Simard, J.R., Getlik M., D. Rauh
Fluorescently or spin-labeled kinases for rapid screening and identification of novel kinase inhibitor scaffolds.
WO/2010/009886

2. Simard, J.R, D. Rauh
Development of fluorescently P-loop labeled kinases for screening of inhibitors.
WO/2010/119138

3. Simard J.R.,D. Rauh
Kinases labeled in the C-helix for the screening of inhibitors.
WO/2012/130984

4. Simard J.R.,H. Waldmann, D. Rauh
Labeled phosphatases for the screening of inhibitors.
WO/2013/030326

5. Fang Z., J.R. Simard, H. Nguyen, T. Phan, D. Rauh
Targeting domain-domain interaction for the identification of kinase modulators.
Submitted to EPO and USPTO, EP 13 17 0412.4, 2013

6. Gontla, R., J. Weisner, D. Rauh
Covalent-allosteric AKT inhibitors.
EP 15 166 458.8, 2015