Julien Orts

Publications

Publications per year 2008 2012 2015 2017 2018 2020 2022 2024

• 33 Article
• 2 Review
• 1 Editorial

Publications per year

Publications per year

Search results

• 2024

  Targeting the Main Protease (Mpro, nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies

  Altincekic, N., Jores, N., Löhr, F., Richter, C., Ehrhardt, C., Blommers, M. J. J., Berg, H., Öztürk, S., Gande, S. L., Linhard, V., Orts, J., Abi Saad, M. J., Bütikofer, M., Kaderli, J., Karlsson, B. G., Brath, U., Hedenström, M., Sauer, U. H., Perrakis, A., Langer, J., & 10 othersBanci, L., Cantini, F., Fragai, M., Grifagni, D., Barthel, T., Wollenhaupt, J., Robertson, A., Bax, A., Sreeramulu, S. & Schwalbe, H., 16 Feb 2024, In: ACS Chemical Biology. 19, 2, p. 563-574 12 p.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access

  • NMR Spectroscopy 100%
  • Structure 100%
  • Assay 33%
  • Synthesis (Chemical) 33%
  • Application 33%
• 2023

  A Benchmark Study of Protein-Fragment Complex Structure Calculations with NMR2

  Torres, F., Stadler, G., Kwiatkowski, W. & Orts, J., 20 Sep 2023, In: International Journal of Molecular Sciences. 24, 18, 14329.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access

• Identification of Natural Products Inhibiting SARS-CoV-2 by Targeting Viral Proteases: A Combined in Silico and in Vitro Approach

  Wasilewicz, A., Kirchweger, B., Bojkova, D., Saad, M. J. A., Langeder, J., Butikofer, M., Adelsberger, S., Grienke, U., Cinatl Jr, J., Petermann, O., Scapozza, L., Orts, J., Kirchmair, J., Rabenau, H. F. & Rollinger, J. M., 24 Feb 2023, In: Journal of Natural Products. 86, 2, p. 264-275 12 p.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access
• 2022

  An improved, time-efficient approach to extract accurate distance restraints for NMR²structure calculation

  Pokharna, A., Torres, F., Kadavath, H., Orts, J. & Riek, R., 1 Aug 2022, In: Magnetic Resonance. 3, 2, p. 137-144 8 p.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access

• Comprehensive Fragment Screening of the SARS-CoV-2 Proteome Explores Novel Chemical Space for Drug Development

  Berg, H., Martin, M. A. W., Altincekic, N., Alshamleh, I., Bains, J. K., Blechar, J., Ceylan, B., de Jesus, V., Dhamotharan, K., Fuks, C., Gande, S. L., Hargittay, B., Hohmann, K. F., Hutchison, M. T., Korn, S. M., Krishnathas, R., Kutz, F., Linhard, V., Matzel, T., Meiser, N., & 63 othersNiesteruk, A., Pyper, D. J., Schulte, L., Trucks, S., Azzaoui, K., Blommers, M. J. J., Gadiya, Y., Karki, R., Zaliani, A., Gribbon, P., Almeida, M. D. S., Anobom, C. D., Bula, A. L., Butikofer, M., Caruso, I. P., Felli, I. C., Da Poian, A. T., de Amorim, G. C., Fourkiotis, N. K., Gallo, A., Ghosh, D., Gomes-Neto, F., Gorbatyuk, O., Hao, B., Kurauskas, V., Lecoq, L., Li, Y., Mebus-Antunes, N. C., Mompean, M., Neves-Martins, T. C., Ninot-Pedrosa, M., Pinheiro, A. S., Pontoriero, L., Pustovalova, Y., Riek, R., Robertson, A. J., Saad, M. J. A., Trevino, M. A., Tsika, A. C., Almeida, F. C. L., Bax, A., Henzler-Wildman, K., Hoch, J. C., Jaudzems, K., Laurents, D., Orts, J., Pierattelli, R., Spyroulias, G. A., Duchardt-Ferner, E., Ferner, J., Fürtig, B., Hengesbach, M., Lohr, F., Qureshi, N., Richter, C., Saxena, K., Schlundt, A., Sreeramulu, S., Wacker, A., Weigand, J. E., Wirmer-Bartoschek, J., Wohnert, J. & Schwalbe, H., 14 Nov 2022, In: Angewandte Chemie International Edition. 61, 46, 12 p., e202205858.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access

• Elucidation of a nutlin-derivative—HDM2 complex structure at the interaction site by NMR molecular replacement: A straightforward derivation

  Mertens, V., Abi Saad, M. J., Coudevylle, N., Wälti, M. A., Finke, A., Marsh, M. & Orts, J., 2022, In: Journal of Magnetic Resonance Open. 10-11, 100032.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access

• Methyl probes in proteins for determining ligand binding mode in weak protein-ligand complexes

  Mohanty, B., Orts, J., Wang, G., Nebl, S., Alwan, W. S., Doak, B. C., Williams, M. L., Heras, B., Mobli, M. & Scanlon, M. J., Dec 2022, In: Scientific Reports. 12, 1, 11231.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access

• NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24

  Torres, F., Walser, R., Kaderli, J., Rossi, E., Bobby, R., Packer, M. J., Sarda, S., Walker, G., Hitchin, J. R., Milbradt, A. G. & Orts, J., 14 Apr 2022, In: Journal of Medicinal Chemistry. 65, 7, p. 5565-5574 10 p.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access
• 2021

  Large-Scale Recombinant Production of the SARS-CoV-2 Proteome for High-Throughput and Structural Biology Applications

  Altincekic, N., Korn, S. M., Qureshi, N. S., Dujardin, M., Ninot-Pedrosa, M., Abele, R., Saad, M. J. A., Alfano, C., Almeida, F. C. L., Alshamleh, I., de Amorim, G. C., Anderson, T. K., Anobom, C. D., Anorma, C., Bains, J. K., Bax, A., Blackledge, M., Blechar, J., Bockmann, A., Brigandat, L., & 109 othersBula, A., Buetikofer, M., Camacho-Zarco, A. R., Carlomagno, T., Caruso, I. P., Ceylan, B., Chaikuad, A., Chu, F., Cole, L., Crosby, M. G., de Jesus, V., Dhamotharan, K., Felli, I. C., Ferner, J., Fleischmann, Y., Fogeron, M-L., Fourkiotis, N. K., Fuks, C., Fuertig, B., Gallo, A., Gande, S. L., Gerez, J. A., Ghosh, D., Gomes-Neto, F., Gorbatyuk, O., Guseva, S., Hacker, C., Haefner, S., Hao, B., Hargittay, B., Henzler-Wildman, K., Hoch, J. C., Hohmann, K. F., Hutchison, M. T., Jaudzems, K., Jovic, K., Kaderli, J., Kalnins, G., Kanepe, I., Kirchdoerfer, R. N., Kirkpatrick, J., Knapp, S., Krishnathas, R., Kutz, F., zur Lage, S., Lambertz, R., Lang, A., Laurents, D., Lecoq, L., Linhard, V., Loehr, F., Malki, A., Bessa, L. M., Martin, R. W., Matzel, T., Maurin, D., McNutt, S. W., Mebus-Antunes, N. C., Meier, B. H., Meiser, N., Mompean, M., Monaca, E., Montserret, R., Perez, L. M., Moser, C., Muhle-Goll, C., Neves-Martins, T. C., Ni, X., Norton-Baker, B., Pierattelli, R., Pontoriero, L., Pustovalova, Y., Ohlenschlaeger, O., Orts, J., Da Poian, A. T., Pyper, D. J., Richter, C., Riek, R., Rienstra, C. M., Robertson, A., Pinheiro, A. S., Sabbatella, R., Salvi, N., Saxena, K., Schulte, L., Schiavina, M., Schwalbe, H., Silber, M., Almeida, M. D. S., Sprague-Piercy, M. A., Spyroulias, G. A., Sreeramulu, S., Tants, J-N., Tars, K., Torres, F., Toews, S., Trevino, M. A., Trucks, S., Tsika, A. C., Varga, K., Wang, Y., Weber, M. E., Weigand, J. E., Wiedemann, C., Wirmer-Bartoschek, J., Martin, M. A. W., Zehnder, J., Hengesbach, M. & Schlundt, A., 10 May 2021, In: Frontiers in Molecular Biosciences. 8, 25 p., 653148.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access
• 2020

  Protein Allostery at Atomic Resolution

  Strotz, D., Orts, J., Kadavath, H., Friedmann, M., Ghosh, D., Olsson, S., Chi, C. N., Pokharna, A., Guntert, P., Vogeli, B. & Riek, R., 1 Dec 2020, In: Angewandte Chemie (International Edition). 59, 49, p. 22132-22139 8 p.

  Publications: Contribution to journal › Article › Peer Reviewed

• Protein-fragment complex structures derived by NMR molecular replacement

  Torres, F., Ghosh, D., Strotz, D., Chi, C. N., Davis, B. & Orts, J., May 2020, In: RSC Medicinal Chemistry. 11, 5, p. 591-596 6 p.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access

• Protein—ligand structure determination with the NMR molecular replacement tool, NMR²

  Orts, J. & Riek, R., Nov 2020, In: Journal of Biomolecular NMR. 74, 10-11, p. 633-642 10 p.

  Publications: Contribution to journal › Article › Peer Reviewed
• 2019

  Rational Structure-Based Design of Fluorescent Probes for Amyloid Folds

  Orts, J., Aulikki Wälti, M., Ghosh, D., Campioni, S., Saupe, S. J. & Riek, R., 2 May 2019, In: ChemBioChem: a european journal of chemical biology. 20, 9, p. 1161-1166 6 p.

  Publications: Contribution to journal › Article › Peer Reviewed
• 2018

  Proteome-wide analysis of phospho-regulated PDZ domain interactions

  Sundell, G. N., Arnold, R., Ali, M., Naksukpaiboon, P., Orts, J., Guntert, P., Chi, C. N. & Ivarsson, Y., Aug 2018, In: Molecular Systems Biology. 14, 8, 22 p., e8129.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access

• Structure determination of protein-ligand complexes by NMR in solution

  Orts, J. & Gossert, A. D., 1 Apr 2018, In: Methods. 138-139, p. 3-25 23 p.

  Publications: Contribution to journal › Article › Peer Reviewed
• 2017

  eNORA2 Exact NOE Analysis Program: Journal of Chemical Theory and Computation

  Strotz, D., Orts, J., Chi, C. N., Riek, R. & Vogeli, B., Sep 2017, In: Journal of Chemical Theory and Computation. 13, 9, p. 4336-4346 11 p.

  Publications: Contribution to journal › Article › Peer Reviewed

• Fast NMR-Based Determination of the 3D Structure of the Binding Site of Protein–Ligand Complexes with Weak Affinity Binders

  Wälti, M. A., Riek, R. & Orts, J., 2 May 2017, In: Angewandte Chemie - International Edition. 56, 19, p. 5208-5211 4 p.

  Publications: Contribution to journal › Article › Peer Reviewed

• Quenched hydrogen-deuterium exchange NMR of a disease-relevant Aß(1-42) amyloid polymorph

  Waelti, M. A., Orts, J. & Riek, R., Mar 2017, In: PLoS ONE. 12, 3, 11 p., e0172862.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access
• 2016

  NMR-Based Determination of the 3D Structure of the Ligand-Protein Interaction Site without Protein Resonance Assignment

  Orts, J., Wälti, M. A., Marsh, M., Vera, L., Gossert, A. D., Güntert, P. & Riek, R., 6 Apr 2016, In: Journal of the American Chemical Society. 138, 13, p. 4393-4400 8 p.

  Publications: Contribution to journal › Article › Peer Reviewed
• 2015

  A Structural Ensemble for the Enzyme Cyclophilin Reveals an Orchestrated Mode of Action at Atomic Resolution

  Chi, C. N., Vögeli, B., Bibow, S., Strotz, D., Orts, J., Güntert, P. & Riek, R., 28 Sep 2015, In: Angewandte Chemie (International Edition). 54, 40, p. 11657-11661 5 p.

  Publications: Contribution to journal › Article › Peer Reviewed

  • Cyclophilin 100%
  • Enzyme 100%
  • Sampling 20%
  • Active Site 20%
  • Ligand Binding 20%

• Solution NMR studies of recombinant Aβ(1-42): from the presence of a micellar entity to residual β-sheet structure in the soluble species

  Wälti, M. A., Orts, J., Vögeli, B., Campioni, S. & Riek, R., 2 Mar 2015, In: ChemBioChem: a european journal of chemical biology. 16, 4, p. 659-669 11 p.

  Publications: Contribution to journal › Article › Peer Reviewed

• The experimental accuracy of the uni-directional exact NOE

  Strotz, D., Orts, J., Minges, M. & Vogeli, B., Oct 2015, In: Journal of Magnetic Resonance. 259, p. 32-46 15 p.

  Publications: Contribution to journal › Article › Peer Reviewed
• 2014

  Intermolecular Detergent-Membrane Protein NOEs for the Characterization of the Dynamics of Membrane Protein-Detergent Complexes

  Eichmann, C., Orts, J., Tzitzilonis, C., Vogeli, B., Smrt, S., Lorieau, J. & Riek, R., 11 Dec 2014, In: The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 118, 49, p. 14288-14301 14 p.

  Publications: Contribution to journal › Article › Peer Reviewed

• Towards a true protein movie: A perspective on the potential impact of the ensemble-based structure determination using exact NOEs Dedicated to Prof. Dr. Christian Griesinger

  Vogeli, B., Orts, J., Strotz, D., Chi, C., Minges, M., Walti, M. A., Guntert, P. & Riek, R., Apr 2014, In: Journal of Magnetic Resonance. 241, 1, p. 53-59 7 p.

  Publications: Contribution to journal › Article › Peer Reviewed
• 2013

  Stereospecific assignments in proteins using exact NOEs

  Orts, J., Vogeli, B., Riek, R. & Guntert, P., 2013, In: Journal of Biomolecular NMR. 57, 3, p. 211-218 8 p.

  Publications: Contribution to journal › Article › Peer Reviewed
• 2012

  An NMR-based scoring function improves the accuracy of binding pose predictions by docking by two orders of magnitude

  Orts, J., Bartoschek, S., Griesinger, C., Monecke, P. & Carlomagno, T., 2012, In: Journal of Biomolecular NMR. 52, 1, p. 23-30 8 p.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access

• Discrete Three-dimensional Representation of Macromolecular Motion from eNOE-based Ensemble Calculation

  Vogeli, B., Orts, J., Strotz, D., Guntert, P. & Riek, R., 2012, In: Chimia. 66, 10, p. 787-790 4 p.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access

• Relaxation Matrix Analysis of Spin Diffusion for the NMR Structure Calculation with eNOEs

  Orts, J., Vögeli, B. & Riek, R., 2012, In: Journal of Chemical Theory and Computation. 8, 10, p. 3483-3492 10 p.

  Publications: Contribution to journal › Article › Peer Reviewed

• The description of protein internal motions aids selection of ligand binding poses by the INPHARMA method

  Stauch, B., Orts, J. & Carlomagno, T., 2012, In: Journal of Biomolecular NMR. 54, 3, p. 245-256 12 p.

  Publications: Contribution to journal › Article › Peer Reviewed

  Open Access
• 2010

  The Tubulin-Bound Structure of the Antimitotic Drug Tubulysin

  Kubicek, K., Grimm, S. K., Orts, J., Sasse, F. & Carlomagno, T., 2010, In: Angewandte Chemie (International Edition). 49, 28, p. 4809-4812 4 p.

  Publications: Contribution to journal › Article › Peer Reviewed
• 2009

  The INPHARMA technique for pharmacophore mapping: A theoretical guide to the method

  Orts, J., Griesinger, C. & Carlomagno, T., 2009, In: Journal of Magnetic Resonance. 200, 1, p. 64-73 10 p.

  Publications: Contribution to journal › Article › Peer Reviewed
• 2008

  Crystallography-independent determination of ligand binding modes

  Orts, J., Tuma, J., Reese, M., Grimm, S. K., Monecke, P., Bartoschek, S., Schiffer, A., Wendt, K. U., Griesinger, C. & Carlomagno, T., 2008, In: Angewandte Chemie (International Edition). 47, 40, p. 7736-7740 5 p.

  Publications: Contribution to journal › Article › Peer Reviewed

• Specific methyl group protonation for the measurement of pharmacophore-specific interligand NOE interactions

  Orts, J., Grimm, S. K., Griesinger, C., Wendt, K. U., Bartoschek, S. & Carlomagno, T., 2008, In: Chemistry: A European Journal. 14, 25, p. 7517-7520

  Publications: Contribution to journal › Article › Peer Reviewed