• Eyermann, Barbara; Meixner, Maximilian; Brötz-Oesterhelt, Heike; Antes, Iris; Sieber, Stephan A.: Acyldepsipeptide Probes Facilitate Specific Detection of Caseinolytic Protease P Independent of Its Oligomeric and Activity State. Chembiochem : a European journal of chemical biology 21 (1-2), 2020, 235-240 mehr…
• Le, P.; Kunold, E.; Macsics, R.; Rox, K.; Jennings, M. C.; Ugur, I.; Reinecke, M.; Chaves-Moreno, D.; Hackl, M. W.; Fetzer, C.; Mandl, F. A. M.; Lehmann, J.; Korotkov, V. S.; Hacker, S. M.; Kuster, B.; Antes, I.; Pieper, D. H.; Rohde, M.; Wuest, W. M.; Medina, E.; Sieber, S. A.: Repurposing human kinase inhibitors to create an antibiotic active against drug-resistant Staphylococcus aureus, persisters and biofilms. Nat Chem 12 (2), 2020, 145-158 mehr…
• Schütz, Ramona; Meixner, Maximilian; Antes, Iris; Bracher, Franz: A modular approach to the bisbenzylisoquinoline alkaloids tetrandrine and isotetrandrine. Organic & Biomolecular Chemistry 18 (16), 2020, 3047-3068 mehr…
• Schneider, M.; Trummer, C.; Stengl, A.; Zhang, P.; Szwagierczak, A.; Cardoso, M. C.; Leonhardt, H.; Bauer, C.; Antes, I.: Systematic analysis of the binding behaviour of UHRF1 towards different methyl- and carboxylcytosine modification patterns at CpG dyads. PLoS One 15 (2), 2020, e0229144 mehr…
• Ugur, I.; Schroft, M.; Marion, A.; Glaser, M.; Antes, I.: Predicting the bioactive conformations of macrocycles: a molecular dynamics-based docking procedure with DynaDock. J Mol Model 25 (7), 2019, 197 mehr…
• Fux, A.; Korotkov, V. S.; Schneider, M.; Antes, I.; Sieber, S. A.: Chemical Cross-Linking Enables Drafting ClpXP Proximity Maps and Taking Snapshots of In Situ Interaction Networks. Cell Chem Biol 26 (1), 2019, 48-59 e7 mehr…
• Sikandar, A.; Franz, L.; Melse, O.; Antes, I.; Koehnke, J.: Thiazoline-Specific Amidohydrolase PurAH Is the Gatekeeper of Bottromycin Biosynthesis. J Am Chem Soc 141 (25), 2019, 9748-9752 mehr…
• Eggenschwiler, R.; Patronov, A.; Hegermann, J.; Fraguas-Eggenschwiler, M.; Wu, G.; Cortnumme, L.; Ochs, M.; Antes, I.; Cantz, T.: A combined in silico and in vitro study on mouse Serpina1a antitrypsin-deficiency mutants. Sci Rep 9 (1), 2019, 7486 mehr…
• Wang, S.; Crevenna, A. H.; Ugur, I.; Marion, A.; Antes, I.; Kazmaier, U.; Hoyer, M.; Lamb, D. C.; Gegenfurtner, F.; Kliesmete, Z.; Ziegenhain, C.; Enard, W.; Vollmar, A.; Zahler, S.: Actin stabilizing compounds show specific biological effects due to their binding mode. Sci Rep 9 (1), 2019, 9731 mehr…
• Schroder, D. C.; Kracker, O.; Frohr, T.; Gora, J.; Jewginski, M.; Niess, A.; Antes, I.; Latajka, R.; Marion, A.; Sewald, N.: 1,4-Disubstituted 1H-1,2,3-Triazole Containing Peptidotriazolamers: A New Class of Peptidomimetics With Interesting Foldamer Properties. Front Chem 7, 2019, 155 mehr…
• Audehm, S.; Glaser, M.; Pecoraro, M.; Braunlein, E.; Mall, S.; Klar, R.; Effenberger, M.; Albers, J.; Bianchi, H. O.; Peper, J.; Yusufi, N.; Busch, D. H.; Stevanovic, S.; Mann, M.; Antes, I.; Krackhardt, A. M.: Key Features Relevant to Select Antigens and TCR From the MHC-Mismatched Repertoire to Treat Cancer. Front Immunol 10, 2019, 1485 mehr…
• Ugur, I.; Schatte, M.; Marion, A.; Glaser, M.; Boenitz-Dulat, M.; Antes, I.: Ca2+ binding induced sequential allosteric activation of sortase A: An example for ion-triggered conformational selection. PLoS One 13 (10), 2018, e0205057 mehr…
• Kracker, O.; Gora, J.; Krzciuk-Gula, J.; Marion, A.; Neumann, B.; Stammler, H. G.; Niess, A.; Antes, I.; Latajka, R.; Sewald, N.: 1,5-Disubstituted 1,2,3-Triazole-Containing Peptidotriazolamers: Design Principles for a Class of Versatile Peptidomimetics. Chemistry 24 (4), 2018, 953-961 mehr…
• Marion, A.; Gora, J.; Kracker, O.; Frohr, T.; Latajka, R.; Sewald, N.; Antes, I.: Amber-Compatible Parametrization Procedure for Peptide-like Compounds: Application to 1,4- and 1,5-Substituted Triazole-Based Peptidomimetics. J Chem Inf Model 58 (1), 2018, 90-110 mehr…
• Rosam, M.; Krader, D.; Nickels, C.; Hochmair, J.; Back, K. C.; Agam, G.; Barth, A.; Zeymer, C.; Hendrix, J.; Schneider, M.; Antes, I.; Reinstein, J.; Lamb, D. C.; Buchner, J.: Bap (Sil1) regulates the molecular chaperone BiP by coupling release of nucleotide and substrate. Nat Struct Mol Biol 25 (1), 2018, 90-100 mehr…
• Ebert, K.; Ewers, M.; Bisha, I.; Sander, S.; Rasputniac, T.; Daniel, H.; Antes, I.; Witt, H.: Identification of essential amino acids for glucose transporter 5 (GLUT5)-mediated fructose transport. J Biol Chem 293 (6), 2018, 2115-2124 mehr…
• Karimzadeh, H.; Kiraithe, M. M.; Kosinska, A. D.; Glaser, M.; Fiedler, M.; Oberhardt, V.; Salimi Alizei, E.; Hofmann, M.; Mok, J. Y.; Nguyen, M.; van Esch, W. J. E.; Budeus, B.; Grabowski, J.; Homs, M.; Olivero, A.; Keyvani, H.; Rodriguez-Frias, F.; Tabernero, D.; Buti, M.; Heinold, A.; Alavian, S. M.; Bauer, T.; Schulze Zur Wiesch, J.; Raziorrouh, B.; Hoffmann, D.; Smedile, A.; Rizzetto, M.; Wedemeyer, H.; Timm, J.; Antes, I.; Neumann-Haefelin, C.; Protzer, U.; Roggendorf, M.: Amino acid substitutions within HLA-B*27-restricted T cell epitopes prevent recognition by hepatitis delta virus-specific CD8+ T cells. J Virol, 2018 mehr…
• Hoffmann, T.; Marion, A.; Antes, I.: DynaDom: structure-based prediction of T cell receptor inter-domain and T cell receptor-peptide-MHC (class I) association angles. BMC Struct Biol 17 (1), 2017, 2 mehr…
• Marion, A.; Groll, M.; Scharf, D. H.; Scherlach, K.; Glaser, M.; Sievers, H.; Schuster, M.; Hertweck, C.; Brakhage, A. A.; Antes, I.; Huber, E. M.: Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem Biol 12 (7), 2017, 1874-1882 mehr…
• Mandl, F. A.; Kirsch, V. C.; Ugur, I.; Kunold, E.; Vomacka, J.; Fetzer, C.; Schneider, S.; Richter, K.; Fuchs, T. M.; Antes, I.; Sieber, S. A.: Natural-Product-Inspired Aminoepoxybenzoquinones Kill Members of the Gram-Negative Pathogen Salmonella by Attenuating Cellular Stress Response. Angew Chem Int Ed Engl 55 (47), 2016, 14852-14857 mehr…
• Schneider, M.; Rosam, M.; Glaser, M.; Patronov, A.; Shah, H.; Back, K. C.; Daake, M. A.; Buchner, J.; Antes, I.: BiPPred: Combined sequence- and structure-based prediction of peptide binding to the Hsp70 chaperone BiP. Proteins 84 (10), 2016, 1390-407 mehr…
• Duell, E. R.; Glaser, M.; Le Chapelain, C.; Antes, I.; Groll, M.; Huber, E. M.: Sequential Inactivation of Gliotoxin by the S-Methyltransferase TmtA. ACS Chem Biol 11 (4), 2016, 1082-9 mehr…
• Ruhl, G.; Niedl, A. G.; Patronov, A.; Siewert, K.; Pinkert, S.; Kalemanov, M.; Friese, M. A.; Attfield, K. E.; Antes, I.; Hohlfeld, R.; Dornmair, K.: Multiple sclerosis: Molecular mimicry of an antimyelin HLA class I restricted T-cell receptor. Neurol Neuroimmunol Neuroinflamm 3 (4), 2016, e241 mehr…
• Zachmann, M.; Mathias, G.; Antes, I.: Parameterization of the Hamiltonian Dielectric Solvent (HADES) Reaction-Field Method for the Solvation Free Energies of Amino Acid Side-Chain Analogs. Chemphyschem 16 (8), 2015, 1739-49 mehr…
• Bujotzek, A.; Dunbar, J.; Lipsmeier, F.; Schafer, W.; Antes, I.; Deane, C. M.; Georges, G.: Prediction of VH-VL domain orientation for antibody variable domain modeling. Proteins 83 (4), 2015, 681-95 mehr…
• Welsch, C.; Haselow, K.; Gouttenoire, J.; Schneider, M.; Morikawa, K.; Martinez, Y.; Susser, S.; Sarrazin, C.; Zeuzem, S.; Antes, I.; Moradpour, D.; Lange, C. M.: Hepatitis C virus variants resistant to macrocyclic NS3-4A inhibitors subvert IFN-beta induction by efficient MAVS cleavage. J Hepatol 62 (4), 2015, 779-84 mehr…
• Hackl, M. W.; Lakemeyer, M.; Dahmen, M.; Glaser, M.; Pahl, A.; Lorenz-Baath, K.; Menzel, T.; Sievers, S.; Bottcher, T.; Antes, I.; Waldmann, H.; Sieber, S. A.: Phenyl Esters Are Potent Inhibitors of Caseinolytic Protease P and Reveal a Stereogenic Switch for Deoligomerization. J Am Chem Soc 137 (26), 2015, 8475-83 mehr…
• Bujotzek, A.; Fuchs, A.; Qu, C.; Benz, J.; Klostermann, S.; Antes, I.; Georges, G.: MoFvAb: Modeling the Fv region of antibodies. MAbs 7 (5), 2015, 838-52 mehr…
• Hoffmann, T.; Krackhardt, A. M.; Antes, I.: Quantitative Analysis of the Association Angle between T-cell Receptor Valpha/Vbeta Domains Reveals Important Features for Epitope Recognition. PLoS Comput Biol 11 (7), 2015, e1004244 mehr…
• Eirich, J.; Braig, S.; Schyschka, L.; Servatius, P.; Hoffmann, J.; Hecht, S.; Fulda, S.; Zahler, S.; Antes, I.; Kazmaier, U.; Sieber, S. A.; Vollmar, A. M.: A small molecule inhibits protein disulfide isomerase and triggers the chemosensitization of cancer cells. Angew Chem Int Ed Engl 53 (47), 2014, 12960-5 mehr…
• Yamane, D.; McGivern, D. R.; Wauthier, E.; Yi, M.; Madden, V. J.; Welsch, C.; Antes, I.; Wen, Y.; Chugh, P. E.; McGee, C. E.; Widman, D. G.; Misumi, I.; Bandyopadhyay, S.; Kim, S.; Shimakami, T.; Oikawa, T.; Whitmire, J. K.; Heise, M. T.; Dittmer, D. P.; Kao, C. C.; Pitson, S. M.; Merrill, A. H., Jr.; Reid, L. M.; Lemon, S. M.: Regulation of the hepatitis C virus RNA replicase by endogenous lipid peroxidation. Nat Med 20 (8), 2014, 927-35 mehr…
• Gross, S.; Nguyen, F.; Bierschenk, M.; Sohmen, D.; Menzel, T.; Antes, I.; Wilson, D. N.; Bach, T.: Amythiamicin D and related thiopeptides as inhibitors of the bacterial elongation factor EF-Tu: modification of the amino acid at carbon atom C2 of ring C dramatically influences activity. ChemMedChem 8 (12), 2013, 1954-62 mehr…
• Marcinowski, M.; Rosam, M.; Seitz, C.; Elferich, J.; Behnke, J.; Bello, C.; Feige, M. J.; Becker, C. F.; Antes, I.; Buchner, J.: Conformational selection in substrate recognition by Hsp70 chaperones. J Mol Biol 425 (3), 2013, 466-74 mehr…
• Welsch, C.; Schweizer, S.; Shimakami, T.; Domingues, F. S.; Kim, S.; Lemon, S. M.; Antes, I.: Ketoamide resistance and hepatitis C virus fitness in val55 variants of the NS3 serine protease. Antimicrob Agents Chemother 56 (4), 2012, 1907-15 mehr…
• Bleif, S.; Hannemann, F.; Lisurek, M.; von Kries, J. P.; Zapp, J.; Dietzen, M.; Antes, I.; Bernhardt, R.: Identification of CYP106A2 as a regioselective allylic bacterial diterpene hydroxylase. Chembiochem 12 (4), 2011, 576-82 mehr…
• Frauer, C.; Hoffmann, T.; Bultmann, S.; Casa, V.; Cardoso, M. C.; Antes, I.; Leonhardt, H.: Recognition of 5-hydroxymethylcytosine by the Uhrf1 SRA domain. PLoS One 6 (6), 2011, e21306 mehr…
• Welker, M. W.; Welsch, C.; Meyer, A.; Antes, I.; Albrecht, M.; Forestier, N.; Kronenberger, B.; Lengauer, T.; Piiper, A.; Zeuzem, S.; Sarrazin, C.: Dimerization of the hepatitis C virus nonstructural protein 4B depends on the integrity of an aminoterminal basic leucine zipper. Protein Sci 19 (7), 2010, 1327-36 mehr…
• Antes, I.: DynaDock: A new molecular dynamics-based algorithm for protein-peptide docking including receptor flexibility. Proteins 78 (5), 2010, 1084-104 mehr…
• Roomp, K.; Antes, I.; Lengauer, T.: Predicting MHC class I epitopes in large datasets. BMC Bioinformatics 11, 2010, 90 mehr…
• Hartmann, Christoph; Antes, Iris; Lengauer, Thomas: Docking and scoring with alternative side-chain conformations. Proteins 74 (3), 2009, 712-726 mehr…
• Lisurek, M.; Simgen, B.; Antes, I.; Bernhardt, R.: Theoretical and experimental evaluation of a CYP106A2 low homology model and production of mutants with changed activity and selectivity of hydroxylation. Chembiochem 9 (9), 2008, 1439-49 mehr…
• Lucas, S.; Heim, R.; Negri, M.; Antes, I.; Ries, C.; Schewe, K. E.; Bisi, A.; Gobbi, S.; Hartmann, R. W.: Novel aldosterone synthase inhibitors with extended carbocyclic skeleton by a combined ligand-based and structure-based drug design approach. J Med Chem 51 (19), 2008, 6138-49 mehr…
• Welsch, C.; Domingues, F. S.; Susser, S.; Antes, I.; Hartmann, C.; Mayr, G.; Schlicker, A.; Sarrazin, C.; Albrecht, M.; Zeuzem, S.; Lengauer, T.: Molecular basis of telaprevir resistance due to V36 and T54 mutations in the NS3-4A protease of the hepatitis C virus. Genome Biol 9 (1), 2008, R16 mehr…
• Hartmann, Christoph; Antes, Iris; Lengauer, Thomas: IRECS: a new algorithm for the selection of most probable ensembles of side-chain conformations in protein models. Protein Sci 16 (7), 2007, 1294-1307 mehr…
• Voets, M.; Antes, I.; Scherer, C.; Muller-Vieira, U.; Biemel, K.; Marchais-Oberwinkler, S.; Hartmann, R. W.: Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem 49 (7), 2006, 2222-31 mehr…
• Antes, I.; Siu, S. W.; Lengauer, T.: DynaPred: a structure and sequence based method for the prediction of MHC class I binding peptide sequences and conformations. Bioinformatics 22 (14), 2006, e16-24 mehr…
• Heckmann-Pohl, D. M.; Bastian, S.; Altmeier, S.; Antes, I.: Improvement of the fungal enzyme pyranose 2-oxidase using protein engineering. J Biotechnol 124 (1), 2006, 26-40 mehr…
• Bojunga, J.; Welsch, C.; Antes, I.; Albrecht, M.; Lengauer, T.; Zeuzem, S.: Structural and functional analysis of a novel mutation of CYP21B in a heterozygote carrier of 21-hydroxylase deficiency. Hum Genet 117 (6), 2005, 558-64 mehr…
• Gu, W.; Kofler, M.; Antes, I.; Freund, C.; Helms, V.: Alternative binding modes of proline-rich peptides binding to the GYF domain. Biochemistry 44 (17), 2005, 6404-15 mehr…
• Antes, I.; Merkwirth, C.; Lengauer, T.: POEM: Parameter Optimization using Ensemble Methods: application to target specific scoring functions. J Chem Inf Model 45 (5), 2005, 1291-302 mehr…
• Ulmschneider, S.; Muller-Vieira, U.; Klein, C. D.; Antes, I.; Lengauer, T.; Hartmann, R. W.: Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitors of aldosterone synthase. J Med Chem 48 (5), 2005, 1563-75 mehr…
• Ulmschneider, S.; Muller-Vieira, U.; Mitrenga, M.; Hartmann, R. W.; Oberwinkler-Marchais, S.; Klein, C. D.; Bureik, M.; Bernhardt, R.; Antes, I.; Lengauer, T.: Synthesis and evaluation of imidazolylmethylenetetrahydronaphthalenes and imidazolylmethyleneindanes: potent inhibitors of aldosterone synthase. J Med Chem 48 (6), 2005, 1796-805 mehr…
• Voets, M.; Antes, I.; Scherer, C.; Muller-Vieira, U.; Biemel, K.; Barassin, C.; Marchais-Oberwinkler, S.; Hartmann, R. W.: Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem 48 (21), 2005, 6632-42 mehr…
• Crass, T.; Antes, I.; Basekow, R.; Bork, P.; Buning, C.; Christensen, M.; Claussen, H.; Ebeling, C.; Ernst, P.; Gailus-Durner, V.; Glatting, K. H.; Gohla, R.; Gossling, F.; Grote, K.; Heidtke, K.; Herrmann, A.; O'Keeffe, S.; Kiesslich, O.; Kolibal, S.; Korbel, J. O.; Lengauer, T.; Liebich, I.; van der Linden, M.; Luz, H.; Meissner, K.; von Mering, C.; Mevissen, H. T.; Mewes, H. W.; Michael, H.; Mokrejs, M.; Muller, T.; Pospisil, H.; Rarey, M.; Reich, J. G.; Schneider, R.; Schomburg, D.; Schulze-Kremer, S.; Schwarzer, K.; Sommer, I.; Springstubbe, S.; Suhai, S.; Thoppae, G.; Vingron, M.; Warfsmann, J.; Werner, T.; Wetzler, D.; Wingender, E.; Zimmer, R.: The Helmholtz Network for Bioinformatics: an integrative web portal for bioinformatics resources. Bioinformatics 20 (2), 2004, 268-70 mehr…
• Antes, I.; Chandler, D.; Wang, H.; Oster, G.: The unbinding of ATP from F1-ATPase. Biophys J 85 (2), 2003, 695-706 mehr…
• Antes, I.; Thiel, W.; van Gunsteren, W. F.: Molecular dynamics simulations of photoactive yellow protein (PYP) in three states of its photocycle: a comparison with X-ray and NMR data and analysis of the effects of Glu46 deprotonation and mutation. Eur Biophys J 31 (7), 2002, 504-20 mehr…
• Daura, X.; Antes, I.; van Gunsteren, W. F.; Thiel, W.; Mark, A. E.: The effect of motional averaging on the calculation of NMR-derived structural properties. Proteins 36 (4), 1999, 542-55 mehr…
• Antes, I.; Thiel, W.: Adjusted connection atoms for combined quantum mechanical and molecular mechanical methods. Journal of Physical Chemistry A 103 (46), 1999, 9290-9295 mehr…
• Antes, I.; Dapprich, S.; Frenking, G.; Schwerdtfeger, P.: Stability of group 11 carbonyl complexes Cl-M-CO (M=Cu, Ag, Au) (vol 35, pg 2089, 1996). Inorganic Chemistry 36 (1), 1997, 128-128 mehr…
• Antes, I.; Dapprich, S.; Frenking, G.; Schwerdtfeger, P.: Stability of group 11 carbonyl complexes Cl-M-CO (M=Cu,Ag,Au). Inorganic Chemistry 35 (7), 1996, 2089-2096 mehr…
• Antes, I.; Frenking, G.: STRUCTURE AND BONDING OF THE TRANSITION-METAL METHYL AND PHENYL COMPOUNDS MCH(3) AND MC(6)H(5) (M=CU,AG,AU) AND M(CH3)(2) AND M(C6H5)(2) (M=ZN,CD,HG)(1). Organometallics 14 (9), 1995, 4263-4268 mehr…
• Jubert, C.; Nowotny, S.; Kornemann, D.; Antes, I.; Tucker, C. E.; Knochel, P.: STEREODIVERGENT ADDITIONS OF ALLYLIC CHROMIUM(III) REAGENTS TO ALDEHYDES. Journal of Organic Chemistry 57 (24), 1992, 6384-6386 mehr…