Publications


Showing entries 1 - 10 out of 54

2024


Altincekic N, Jores N, Löhr F, Richter C, Ehrhardt C, Blommers MJJ et al. Targeting the Main Protease (Mpro, nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies. ACS Chemical Biology. 2024 Feb 16;19(2):563-574. Epub 2024 Jan 17. doi: 10.1021/acschembio.3c00720

2023


Torres F, Stadler G, Kwiatkowski W, Orts J. A Benchmark Study of Protein-Fragment Complex Structure Calculations with NMR2. International Journal of Molecular Sciences. 2023 Sept 20;24(18):14329. doi: 10.3390/ijms241814329

Wasilewicz A, Kirchweger B, Bojkova D, Saad MJA, Langeder J, Butikofer M et al. Identification of Natural Products Inhibiting SARS-CoV-2 by Targeting Viral Proteases: A Combined in Silico and in Vitro Approach. Journal of Natural Products. 2023 Feb 24;86(2):264-275. Epub 2023 Jan 18. doi: 10.1021/acs.jnatprod.2c00843

2022


Mohanty B, Orts J, Wang G, Nebl S, Alwan WS, Doak BC et al. Methyl probes in proteins for determining ligand binding mode in weak protein-ligand complexes. Scientific Reports. 2022 Dec;12(1):11231. doi: 10.1038/s41598-022-13561-y

Berg H, Martin MAW, Altincekic N, Alshamleh I, Bains JK, Blechar J et al. Comprehensive Fragment Screening of the SARS-CoV-2 Proteome Explores Novel Chemical Space for Drug Development. Angewandte Chemie International Edition. 2022 Nov 14;61(46):e202205858. doi: 10.1002/anie.202205858

Pokharna A, Torres F, Kadavath H, Orts J, Riek R. An improved, time-efficient approach to extract accurate distance restraints for NMR2structure calculation. Magnetic Resonance. 2022 Aug 1;3(2):137-144. doi: 10.5194/mr-3-137-2022

Torres F, Walser R, Kaderli J, Rossi E, Bobby R, Packer MJ et al. NMR Molecular Replacement Provides New Insights into Binding Modes to Bromodomains of BRD4 and TRIM24. Journal of Medicinal Chemistry. 2022 Apr 14;65(7):5565-5574. doi: 10.1021/acs.jmedchem.1c01703

Coudevylle N, Banas B, Baumann V, Schuschnig M, Zawadzka-Kazimierczuk A, Kozminski W et al. Mechanism of Atg9 recruitment by Atg11 in the cytoplasm-to-vacuole targeting pathway. Journal of Biological Chemistry. 2022 Feb;298(2):101573. doi: 10.1016/j.jbc.2022.101573

2021


Altincekic N, Korn SM, Qureshi NS, Dujardin M, Ninot-Pedrosa M, Abele R et al. Large-Scale Recombinant Production of the SARS-CoV-2 Proteome for High-Throughput and Structural Biology Applications. Frontiers in Molecular Biosciences. 2021 May 10;8:653148. doi: 10.3389/fmolb.2021.653148

Showing entries 1 - 10 out of 54

Softwares

- INPHARMA: In the INPHARMA (Inter-ligands Nuclear Overhauser Effect for Pharmacophore Mapping) method, inter-ligand NOEs are used to derive the relative orientation of small molecular binders that compete for the same receptor site.

- eNORA

- NMR2

Molecular Structures

- NMR2 structure of BRD4-BD2 in complex with iBET-762: 7AQT

- Crystal Structure of HDM2 in complex with Caylin-1: 7QDQ

- Protein allostery of the WW domain at atomic resolution: apo structure: 6SVC

- Protein allostery of the WW domain at atomic resolution: pCdc25C bound structure: 6SVE

- Protein allostery of the WW domain at atomic resolution: FFpSPR bound structure: 6SVH

- Structural ensemble of the enzyme cyclophilin reveals an orchestrated mode of action at atomic resolution: 2N0T

- Crystal Structure of HDM2 in complex with Nutlin-3a: 5C5A

- NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571: 7B9X

Talks

ANZMAG (invited, plenary session)

Melbourne (2022)

RNA summer School (invited)

CEITEC (2022)

Boehringer Ingelheim (invited)

Vienna (2022)

Workshop on Computer-Aided Drug Discovery (invited)

Graz (2022)

MMCE (invited)

Primošten (2022)

Modern Concepts in Structural Biology (invited)

MFPL (2022)

AUREM (invited), 18th NMR Users Meeting 

Brazil online (2022)

ICMRBS (invited), Emerging Topics in Magnetic Resonance 

International online (2021)

Hunprotexc (invited)

Hungarian online (2021)

Drug Discovery Chemistry (invited), Small Molecules for Immunology, Oncology & COVID

International online (2021)

Lead Generation Strategies (invited)

Boston (2020)

Drug Discovery Chemistry (invited), Fragment-Based Drug Discovery

San Diego (2020)

Philochem AG (invited)

Oltefingen (2019)

Society for Medicines Research (invited)

Cambridge (2019)

Biophysical Approaches to Drug Discovery (invited)

San Diego (2019)

Gordon Research conference: drug design (invited)

Les Diablerets (2019)

University of Guelph (invited)

        Guelph (2019)

University of Basel (invited)

          Basel (2019)

Rhine-Knee Regional Meeting on Structural Biology

Emmetten (2018)

Drug Discovery Chemistry (invited)

San Diego (2018)

ANZMAG (invited)     

  Brisbane (2017)

SMASH (invited)

Baveno (2017)

Fragment Based Lead Discovery

Boston (2016)

AstraZeneca (invited)             

Cambridge (2016)

Structural Biology meets Biophysics

Obernai (2016)

Structural Biology Institute (invited)

Grenoble (2016)

University of Zürich (invited)   

Zürich (2016) 

EUROMAR     

     Aarhus (2016)

Euro Chemistry (invited)     

         Rome (2016)

Zobio (invited)             

Leiden (2016)

NMRS (NMR Society, invited)          

IIT-Kharagpur (2016)

III-Bern 14th International Summer School

  Böningen (2015)

Novartis Institute of Bio-medical research (invited)

 Basel (2014)

EPFL, Laboratory of Bio-NMR           

Lausanne (2014)

EUROMAR     

 Zürich (2014)

XXth Swiss NMR Symposium

Basel (2014)

Masaryk University (invited)   

Brno (2013)

Central European Institute of Technology (CEITEC) (invited)

Brno (2013)

Institut de Génétique et de Biologie Moléculaire et Cellulaire (invited)  

Strasbourg (2010)

EUROMAR (European magnetic resonance)                    

Saint-Petersburg (2008)

FGMR (Fachgruppe Magnetische Resonanzspektroskopie)       

  Göttingen (2007)

 

Julien featured in Drug Discovery Chemistry 2023 Highlights:

https://www.youtube.com/watch?v=CpMvC6GgZIo&t=13s

Grants and Awards

06.2019                      Discussion leader at the Gordon Research Seminars (intl. conference)

07.2015                      Chair at the EUROMAR (intl. NMR conference) in the Bio macromolecules session 

12.2013                      The Innolec prize, Innovation lecture (IC112), Masaryk University Brno 

01.2009-01.2010      PhD Grant, DAAD fellowship, Germany 

01.2007-01.2009      PhD Grant, Fonds der Chemischen IndustrieGermany

12.2007                      Prize Explora’Doc for excellent student, INP, France

09.2005                      Prize Explora’Sup for excellent student, INP, France 

Editorial Activities

Guest editor for the Konrat's Festschrift, a special issue of JMRO dedicated to the 60th birthday of Robert Konrat (to be release soon).