Compound Management (Edgar Specker)

S. Sreeamulu, C. Richter, T. Kühn, K. Azzaoui, M. J. J. Blommers, R. Del Conte, M. Fragai, N. Trieloff, P. Schmieder, M. Nazaré, E. Specker, V. Ivanov, H. Oschkinat, L. Banci, H. Schwalbe, NMR quality control of fragment libraries for screening. J. Biomol. NMR 2020, 74, 555-563.

P. Brennecke, D. Rasina, O. Aubi, K. Herzog, J. Landskron, B. Cautain, F. Vicente, J. Quintana, J. Mestres, B. Stechmann, B. Ellinger, J. Brea, J. L. Kolanowski, R. Pilarski, M. Orzaez, A. Pineda-Lucena, L. Laraia, F. Nami, P. Zielenkiewicz, K. Paruch, E. Hansen, J. P. von Kries, M. Neuenschwander, E. Specker, P. Bartunek, S. Simova, Z. Lesnikowski, S. Krauss, L. Lehtiö, U. Bilitewski, M. Brönstrup, K. Taskén, K. Jirgensons, H. Lickert, M. H. Clausen, J. H. Andersen, M. J. Vicent, O. Genilloud, A. Martinez, M. Nazaré, W. Fecke, P. Gribbon, EU-OPENSCREEN: A Novel Collaborative Approach to Facilitate Chemical BiologySLAS Discov. 201924, 398-413.

P. Marcinkowski, I. Hoyer, E. Specker, J. Furkert, C. Rutz, M. Neuenschwander, S. Sobottka, H. Sun, M. Nazaré, U. Berchner-Pfannschmidt, J. P. von Kries, A. Eckstein, G. Krause, A new highly thyrotropin receptor-selective antagonist towards Graves`orbitopathy, Thyroid 201929, 111-123.

J. Schulze, H. Baukmann, R. Wawrzinek, F. F. Fuchsberger, E. Specker, J. Aretz, M. Nazare, C. Rademacher, CellFy: A cell-based fragment screen against C-type lectins. ACS Chem. Biol.2018, 13, 3229-3235.

W. Klein, C. Rutz, M. Neuenschwander, B. Provinciael, E. Specker, J. Eckhard, G. Kleinau, P. Scheerer. J. P. von Kries, M. Nazaré, K. Vermeire, R. Schülein, Identification of novel inhibitors for the eucaryotic Sec translocon pathway using a sequential high throughput screening assay, PLoS ONE 201813, e0208641. 

M. Bader, E. Specker, S. Matthes, A. Schütz, K. Mallow, M. Grohmann, M. Nazaré, Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same, 2018, WO2018019917.

M. Juneja, D. Kobelt, W. Walther, C. Voss, J. Smith, E. Specker, M. Neuenschwander, B.O. Gohlke, M. Dahlmann, S. Radetzki, R. Preissner, J.P. von Kries, P. M. Schlag, U. Stein, Statin and rottlerin small-molecule inhibitors restrict colon cancer progression and metastasis via MACC1, Plos Biol. 2017, 15, 4-28.

D. M. Carter, E. Specker, J. Przygodda, M. Neuenschwander, J. P. von Kries, U. Heinemann, M. Nazaré, U. Gohlke, Identification of a novel benzimidazole pyrazolone scaffold that inhibits KDM4 lysine demethylases and reduces proliferation of prostate cancer cells, J. of Molecular Screening, 2017, 22, 801-812.

C. Wetzel, S. Pifferi, C. Picci, C. Gök, D. Hoffmann, K. K Bali, A. Lampe, L. Lapatsina, R. Fleischer, E. St. John Smith, V. Bégay, M. Moroni, L. Estebanez, J. Kühnemund, J. Walcher, E. Specker, M. Neuenschwander, J. P. von Kries, V. Haucke, R. Kuner, J. F. A. Poulet, J. Schmoranzer, K. Poole & G. R. Lewin, Small-molecule inhibition of STOML3 oligomerization reverses pathological mechanical hypersensitivity, Nature Neuroscience, 2017, 20, 209-218

M-A. Geigern, M. Orwick-Rydmark, K. Märker, W. T. Franks, D. Akhmetzyanov, D. Stöppler, M. Zinke, E. Specker, M. Nazaré, A. Diehl, B.-J. van Rossum, F. Aussenac, T. Prisner, Ü. Akbey and H. Oschkinat, Temperature dependence of cross-effect dynamic nuclear polarization in rotating solids: advantages of elevated temperatures, Physical Chemistry Chemical Physics, 2016, 18, 30696-30704.

L. Fang, Q. Zhu, M. Neuenschwander, E. Specker, A. Wulf-Goldenberg, W. I. Weis, J. P. von Kries, W. Birchmeier,  A Small-Molecule Antagonist of the β-Catenin/TCF4 Interaction Blocks the Self-Renewal of Cancer Stem Cells and Suppresses Tumorigenesis, Cancer Research, 2016, 76, 891-901.

M. Bader, E. Specker, S. Matthes, A. Schütz, K. Mallow, M. Grohmann, M. Nazaré, Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same, 2016, WO2016135199A1

J. Du, M. Neuenschwander, Y. Yu, J. H. M. Däbritz, N.-R. Neuendorff, K. Schleich, A. Bittner, M. Milanovic, G. Beuster, S. Radetzki, E. Specker, M. Reimann, F. Rosenbauer, S. Mathas, P. Lohneis, M. Hummel, B. Dörken, J.-P. von Kries, S. Lee and C. A. Schmitt, Pharmacological restoration and therapeutic targeting of the B-cell phenotype in classical Hodgkin's lymphoma, Blood, 2016, 02-700773.

F. Wilde, E. Specker, M. Neuenschwander, M. Nazaré, A. Bodtke, A. Link, Tractable synthesis of multipurpose screening compounds with under-represented molecular features for an open access screening platform. Mol. Divers., 2014, 18, 483-495.

D. Horvath, M. Lisurek, B. Rupp, R. Kühne, E. Specker, J. von Kries, D. Rognan, C. D. Andersson, F. Almqvist, M. Elofsson, P.-A. Enqvist, A.-L. Gustavsson, N. Remez, J. Mestres, G. Marcou, A. Varnek, M. Hibert, J. Quintana, R. Frank, Design of a General-Purpose European Compound Screening Library for EU-OPENSCREEN. ChemMedChem, 2014, 10, 2309-2326

P. Schmieder, F. Nitschke, M. Steup, K. Mallow, E. Specker, Determination of glucane phosphorylation using heteronuclear 1H, 13C double and 1H, 13C, 31P triple –resonance NMR spectra, Magnetic Resonance in Chemistry, 2013, 10, 655-661.

C. Kamper, K. Korpis, E. Specker, L. Anger, M. Neuenschwander, P. J. Bednarski, A. Link, Sustainable synthesis and automated deposition: an accessible discovery screening library of fragment-like purines. Mol. Divers.2012, 16, 541-551.

A. Linden, S. Lange, W. Franks, Ü. Akbey, E. Specker, B.-H. van Rossum, H. Oschkinat, Neurotoxin II Bound to Ach-Receptors in Native Membranes Studied by Dynamic Polarization NMR,  JACS, 2011, 48, 19266-19269.

F. Osterkamp, H. Hawlisch, G. Hummel, T. Knaute, U. Reimer, U. Reineke, U. Richter, S. Bernadett, E. Specker, M. Woischnik, M. R. Hellberg, Novel NPRB- Agonists and Methods of Use for the Treatment C-Type Natiuretic Peptide-Mediated Disorders, Alcon Research, LTD, 2011, WO 2011/075 471.

F. Osterkamp, H. Hawlisch, G. Hummel, T. Knaute, U. Reimer, U. Reineke, U. Richter, S. Bernadett, E. Specker, M. Woischnik, M. R. Hellberg, Novel NPRB- Agonists, Alcon Research, LTD, 2011, WO 2011/038 061.

E. Specker, Book Review, Aspartic Acid Proteases as Therapeutic Targets. Edited by Arun K. Ghosh, ChemMedChem. 2011, 6, 1130.

K. Oertel, A. Hunfeld, E. Specker, C. Reiff, R. Seitz, R. Pasternack, J. Dodt, A highly sensitive fluorometric assay for determination of human coagulation factor XIII in plasma, Analytical biochemistry, 2007, 367, 152-158.

E. Specker, J. Böttcher, S. Brass, A. Heine, H. Lilie, A. Schoop, G. Müller, N. Griebenow, G. Klebe, Unexpected Novel Binding Mode of Pyrrolidine-based Aspartyl Protease Inhibitors: Design, Synthesis and Crystal Structure with HIV- Protease. ChemMedChem. 2006, 1, 106-117.

L. Bialy, J. J. Díaz-Mochón, E. Specker, L. Keinecke, M. Bradley, Synthesis of PNA-peptide Conjugates using Novel Dde/Mmt PNA Monomers. Tetrahedron, 2005, 61, 8295-8305.

E. Specker, J. Böttcher, A. Heine, C. Sotriffer, H. Lilie, A. Schoop, G. Müller, N. Griebenow, G. Klebe, Hydroxyethylenesulfones as a New Scaffold to Address Aspartic Proteases: Design, Synthesis and Structural Characterization. J. Med. Chem. 2005,48, 6607-6619.

Leibniz-Forschungsinstitut für Molekulare Pharmakologie im Forschungsverbund Berlin e.V. (FMP)
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