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Molecular Signal Processing
Director of the department
Prof. Steffen Abel
Bioorganic Chemistry
Director of the department
Prof. Ludger Wessjohann
Stress and Developmental Biology
Director of the department
Prof. Dierk Scheel
Cell and Metabolic Biology
Director of the department
Prof. Alain Tissier
home  >  Bioorganic Chemistry  >  Computational Chemistry  >  Publications
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2012-05-22 10:00 - Sebastian Zabel
Sesquiterpene Biosynthesis in wild tomato species view...
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Computational Chemistry


Research ProjectsStaff members
Publications
2011 | 2010 | 2009 | 2008 | 2007 | 2006 | 2005 | 2004 | 2003 Publications | Books and book chapters

53 hits
2011

  • Brandt, W., Herberg, T. & Wessjohann, L. Systematic conformational investigations of peptoids and peptoid-peptide chimeras. Biopolymers. 96, 651-668 (2011)

  • Dᶏbrowska, P., Shabab, M., Brandt, W., Vogel, H. & Boland, W. Isomerization of the phytohormone precursor 12-oxophytodienoic acid (OPDA) in the insect gut: a mechanistic and computational study. J. Biol. Chem. 286, 22348-22354 (2011)

  • Fredericks, W.J., McGarvey, T., Wang, H., Lal, P., Puthiyaveettil, R., Tomaszewski, J., Sepulveda, J., Labelle, E., Weiss, J.S., Nickerson, M.L., Kruth, H.S., Brandt, W., Wessjohann, L.A. & Malkowicz, S.B. The bladder turmor suppressor protein TERE1 (UBI-AD1) modulates cell cholesterol: implications fo tumor progression. DNA and Cell Biol. 30, 851-864 (2011)

  • Mansfeld, J., Brandt, W., Haftendorn, R., Schöps, R. & Ulbrich-Hofmann, R. Discrimination between the regioisomeric 1,2- and 1,3-diacylglycerophosphocholines by phospholipases. Chem. Phys. Lipids. 164, 196-204 (2011)

  • Nawaz, S A., Ayaz, M., Brandt, W., Wessjohann, L.A. & Westermann, B. Cation-π and π-π stacking interactions allow selective inhibition of butyrylcholinesterase by modified quinine and cinchonidine alkaloids. Biochem. Bioph. Res. Commun. 404, 935-940 (2011)

  • Schneider, T., Ba, L.A., Khairan, K., Zwergel, C., Bach, D. N., Bernhardt, I., Brandt, W., Wessjohann, L., Diederich, M. & Jacob, C. Interactions of polysulfanes with components of red blood cells. Med.Chem.Commun. (2011)
2010

  • Brandt, W., Haupt, V. J. & Wessjohann, L. A. Chemoinformatic analysis of biologically active macrocycles Chemoinformatic analysis of biologically active macrocycles. Curr. Top. Med. Chem. 10, 1361-1379 (2010)

  • Brandt, W., Kufka, J., Schulze, D., Schulze, E., Rausch, F. & Wessjohann, L. The membrane bound aromatic p-hydroxybenzoic acid oligoprenyltransferase (UbiA) – how iterative improvements lead to a realistic structure that offers new insights into functiona The membrane bound aromatic p-hydroxybenzoic acid oligoprenyltransferase (UbiA) – how iterative improvements lead to a realistic structure that offers new insights into functional aspects of prenyl transferases and terpene synthases. J. Cheminformatics. 2, DOI: 10.1186-1758-2946-2S1-O20 (2010)

  • Nickersen, M. L., Kostiha, B. N., Brandt, W., Fredericks, W., Xu, K.-P., Yu, F.-S., Gold, B., Chodosh, J., Goldberg, M., Lu, D. W., Yamada, M., Tervo, T. M., Grutzmacher, R., Croasdale, C., Hoeltzenbein, M., Sutphin, J., Malkowicz, S. B., Wessjohann, L., UBIAD1 Mutation Alters a Mitochondrial Prenyltransferase to Cause Schnyder Corneal Dystrophy. PLoS One. 5, e10760 (2010)
2009

  • Brandt, W., Bräuer, L., Günnewich, L., Kufka, J., Rausch, F., Schulze, D., Schulze, D., Weber, R., Zakharova, S. & Wessjohann, L. Molecular and structural basis of metabolic diversity mediated by prenyldiphosphate converting enzymes. Phytochemistry. 70, 1758-1775 (2009)

  • Buchholz, M., Brandt, W., Hoffmann, T., Schilling, S., Demuth, H.-U. & Heiser, U. Optimization of inhibitors for human glutaminyl cyclase by structure based design and bio-iosteric replacement . Drug. Future. 34, 186-186 (2009)

  • Buchholz, M., Hamann, A., Aust, S., Brandt, W., Bohme, L., Hoffmann, T., Schilling, S., Demuth, H.U. & Heiser, U. Inhibitors for human glutaminyl cyclase by strucure based design and bioisosteric replacement. J. Med. Chem. 52, 7069-7080 (2009)

  • Pienkny, S., Brandt, W., Kramell, R. & Ziegler, J. Functional characterization of a novel benzylisoquinoline O-Methyltransferase suggests its involvement in Papaverine biosynthesis in Opium Poppy (P. somniferum L.). Plant J. 60, 56-67 (2009)

  • Stehle, F., Brandt, W., Stubbs, M.T., Milkowski, C. & Strack, D. Sinapoyltransferases in the light of molecular evolution. Phytochemistry. 70, 1652-1662 (2009)

  • Wessjohann, L., Zakharova, S., Schulze, D., Kufka, J., Weber, R., Bräuer, L., & Brandt, W. Enzymatic C-C-Coupling Prenylation: Bioinformatics - Modelling - Mechanism - Protein-Redesign - Biocatalytic Application. Chimia. 63, 340-344 (2009)

  • Ziegler, J., Brandt, W., Geißler, R. & Facchini, P.J. Removal of substrate inhibition and increase in maximal velocity in the short chain dehydrogenase/ reductase salutaridine involved in morphine biosynthesis. J. Biol. Chem. 284, 26758-26767 (2009)

  • Ziegler, J., Facchini, P.J., Geißler, R., Schmidt, J., Ammer, C., Kramell, R., Voigtländer, S., Gesell, A., Pienkny, S. & Brandt, W. Evolution of morphine biosynthesis in opium poppy. Phytochemistry. 79, 1969-1707 (2009)
2008

  • Brock, A., Brandt, W. & Dräger, B. The functional divergence of short-chain dehydrogenases involved in tropinone reduction. Plant J. 54, 388-401 (2008)

  • Bräuer, L., Brandt, W., Schulze, D., Zakharova, S. & Wessjohann, L. A structural model of the membrane-bound aromatic prenyltransferase UbiA from E. coli. ChemBioChem. 9, 982-992 (2008)

  • Burse, A., Frick, S., Schmidt, A., Buechler, R., Kunert, M., Gershenzon, J., Brandt, W. & Boland, W. Implication of HMGR in homestasis of sequestered and de novo produced precursors of the iridoid biosynthesis in leaf beetle larvae. Insect Biochem. Mol. Biol. 38, 76-88 (2008)

  • Freydank, A.C., Brandt, W. & Dräger, B. Protein structure modeling indicates hexahistidine-tag interference with enzyme activity. Proteins. 173-183 (2008)

  • Heintz, T., Brandt, W., Weber, L. & Wessjohann, L.A. Comparing Natural Product (NP) and non-NP datsets at an atomic scale. Chemistry Central Journal. (2008)

  • Klein, R. & Brandt, W. Fast access to total energies. Chemistry Central Journal. (2008)

  • Kopycki, J. G., Stubbs, M. T. , Brandt, W., Hagemann, M., Porzel, A., Schmidt, J., Schliemann, W., Zenk, M. H. & Vogt, T. Functional and structural characterization of a cation-dependent O-methyltransferase from the cyanobacterium Synechocystis sp. strain pcc 6803. J. Biol. Chem. 283, 20888-20896 (2008)

  • Schullehner, K., Dick, R., Vitzthum, F., Schwab, W., Brandt, W., Frey, M. & Gierl, A. Benzoaxazinoid biosynthesis in dicot plants. Phytochemistry. 69, 2668-2677 (2008)

  • Stehle, F., Brandt, W., Schmidt, J., Mikowski, C. & Strack, D. Activities of arabidopsis sinapoyltransferase shed light on functional diversification of serine carboxypeptidase-like acyltransferases. Phytochemistry. 69, 1826-1831 (2008)

  • Wrenger, S., Faust, J., Mrestani-Klaus, C., Brandt, W., Thielitz, A., Neubert, K. & Reinhold, D. Non-substrate peptides influencing dipeptidyl peptidase IV/CD26 activity and immune cell function. Front. Biocsience. 13, 3194-3201 (2008)
2007

  • Bräuer, L., Wessjohann, L. A. & Brandt, W. Modeling of a cannabis sativa terpene synthase. Protein Data Bank, entry 2DK0. (2007)

  • Geissler, R., Brandt, W. & Ziegler, J. Molecular Modeling and Site-Directed Mutagenesis Reveal the Benzylisoquinoline Binding site of the Short-Chain Dehydrogenase/Ruductase Salutaridine Reductase . Plant Physiol. 143, 1493-1503 (2007)

  • Hinneburg, A., Egert, B. & Porzel, A. Duplicate detection of 2D-NMR spectra. J. Integrat. Bioinform. 4, 53 (2007)

  • Hinneburg, A., Gabriel, H.-H. & Gohr, A. Bayesian foling in with dirichlet kernels for PLSI. Seventh IEEE International Conference on Data Mining, DOI: 10.1109/ICDM.2007.15. (2007)

  • Hinneburg, A., Porzel, A. & Wolfram, K. An evaluation of text retrieval methods for similarity search of multi-dimensional NMR-spectra. Lernen, Wissen, Adaption, Workshop Proceedings. 282-289 (2007) ISBN:978-3-86010-907-6

  • Jelic, D., Mildner, B., Kostrun, S., Jujic, K., Verbanac, D., Culic, O., Antolovic, R. & Brandt, W. Homology Modeling of Human Fyn Kinase Structure: Discovery of Rosmarinic Acid as a New Fyn Kinase Inhibitor and in Silico Study of Its Possible Binding Modes . J. Med. Chem. 50, 1090-1100 (2007)

  • Stehle, F., Brand, W., Mikowski, C. & Strack, D. Structure determinants and substrate recognition of serine carboxypeptidase-like acyltransferases from plant secondary metabolism. FEBS Letters. 581, 164-165 (2007)

  • Teuber, M., Azemi, M. E., Namyoan, F., Meier, A.-C., Wodak, A., Brandt, W. & Dräger, B. Putrescine N-methyltransferases - a structure-function analysis. Plant. Mol. Biol. 787-801 (2007)
2006

  • Gromer, S., Wessjohann, L.A., Eubel, J. & Brandt, W. Mutational Studies Confirm the Catalytic Triad in the Human Selenoenzyme Thioredoxin Reductase Predicted by Molecular Modeling. ChemBioChem. 7, 1649-1652 (2006)

  • Reiss, E., Schlesier, B. & Brandt, W. cDNA sequences, MALDI-TOF analysis, and molecular modelling of barley PR-5 protein. Phytochemistry. 67, 1856-1864 (2006)

  • Selent, J., Brandt, W., Pamperin, D. & Göber, B. Enantiomeric N-methyl-4-piperidyl benzilates as muscarinic receptor ligands: Radioligand binding studies and docking studies to models of three muscarinic receptors M1, M2 and M3. Bioorganic & Medicinal Chemistry. 14, 1729-1736 (2006)

  • Stehle, F., Brandt, W., Milkowski, C. & Strack, D. Structure determinants and substrate recognition of serine carboxypeptidase-like acyltransferases from plant secondary metabolism. FEBS Lett. 580, 6366-6374 (2006)
2005

  • Barth, A, Thondorf, I. , Gebauer, S, Brandt, W., Neubert, K., Stano, J., Psenak, M. & Kovacs, P. Gedanken zum Mechanismus der Serinproteasen Teil 2. Dipeptidyl Peptidase IV (DP IV/CD 26). Acta Facultatis Pharmaceuticae Universitatis Comenianae. LII, 7-20 (2005)

  • Lipka, V., Dittgen, J. , Bednarek, P., Bhat, R., Wiermer, M., Stein, M., Landtag, J., Brandt, W., Rosahl, S., Scheel, D., Llorente, F. , Molina, A., Parker, J., Somerville, S. & Schulze-Lefert, P. Pre- and postinvasion defenses both contribute to nonhost resistance in Arabidopsis. Science. 310 (5751), 1180-1183 (2005)

  • Wessjohann, L. A., Ruijter, E., Garcia-Rivera, D. & Brandt, W. What can a chemist learn from nature's macrocycles?--a brief, conceptual view. Mol Divers. 9 (1-3), 171-186 (2005)
2004

  • Bräuer L., Brandt W. & Wessjohann, L.A. Modeling of the E. coli – 4-hydroxybenzoic acid oligoprenyl-transferase (ubiA-transferase) and characterization of potential active sites. J. Mol. Mod. 10, 317-327 (2004)

  • Brandt, W., Dessoy, M.A., Fulhorst, M., Gao, W., Zenk, M.H. & Wessjohann, L.A. A Mechanism Proposal for the Reductive Ring Opening of the Cyclodiphosphate MEcPP, a Crucial Transformation in the New DXP/MEP-Pathway to Isoprenoids Based on Modeling Studies and Feeding Experiments. ChemBiochem. 5(3), 311-323 (2004)

  • Hans, J., Brandt, W. & Vogt, T. Site-directed mutagenesis and protein 3D-homology modelling suggest a catalytic mechanism for UDP-glucose dependent betanidin 5-O-glucosyl-transferase from Dorotheanthus bellidiformis. Plant J. 39, 319-333 (2004)
2003

  • Black, S.L., Jales, A.R., Brandt, W., Lewis, J.W. & Husbands, S.M. The role of the side chain in determining relative delta- and kappa-affinity in C5’-substituted analogues of naltrindole. J Med Chem. 46(2), 314-317 (2003)

  • Holzgrabe, U. & Brandt, W. Mechanism of Action of the Diazabicyclononanone-type Kappa-Agonists. J Med Chem. 46(8), 1383-1389 (2003)

  • Kuhn-Wache, K., Hoffmann, T., Manhart, S., Brandt, W. & Demuth, H.U. The specificity of DP IV for natural substrates is peptide structure determined. Dipeptidyl Aminopeptidases in Health and Disease. (Hildebrandt, M., Klapp, B.F., Hoffmann, T. & Demuth, H.-U., eds.) Adv. Exp. Med. Biol., Kluwer Academic/Plenum Publishers. Vol 524, 57-63 (2003)

  • Lorey, S., Stockel-Maschek, A., Faust, J., Brandt, W., Stiebitz, B., Gorrell, M.D., Kahne, T., Mrestani-Klaus, C., Wrenger, S., Reinhold, D., Ansorge, S. & Neubert, K. Different modes of dipeptidyl peptidase IV (CD26) inhibition by oligopeptides derived from the N-terminus of HIV-1 Tat indicate at least two inhibitor binding sites. Eur J Biochem. 270(10), 2147-56 (2003)

  • Mrestani-Klaus, C., Brandt, W., Faust, J., Wrenger, S., Reinhold. D., Ansorge, S. & Neubert, K. New results on the conformations of potent DP IV (CD26) inhibitors bearing the N-terminal MWP structural motif, Dipeptidyl Aminopeptidases in Health and Disease. (Hildebrandt, M., Klapp, B.F., HoffmannT. & Demuth, H.-U., eds.) Adv. Exp. Med. Biol., Kluwer Academic/Plenum Publishers. Vol 524, 65-68 (2003)

  • Schütz, J., Brandt, W., Spetea, M., Wurst, K., Wunder, G. & Schmidhammer, H. Synthesis of 6-Amino Acid Substituted Derivatives of the Highly Potent Analgesic 14-O-Methyloxymorphone. Helv. Chim. Acta. 86, 2142-2148 (2003)

  • Schütz, J., Brandt, W., Spetea, M., Wurst, K., Wunder, G. & Schmidhammer, H. Synthesis of 6-Amino Acid Substituted Derivatives of the Highly Potent Analgesic 14-O-Methyloxymorphone. Helv. Chim. Acta. 86, 2709 (2003)

  • Wessjohann, L.A., Brandt, W. & Thiemann, T. Biosynthesis and Metabolism of Cyclopropane-Rings in Natural Compounds. Chem Rev 2003. 103, 1625-1647 (2003)


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