Description

The Brazilian Synchrotron Light Laboratory (LNLS) of the Brazilian Center for Research in Energy and Materials (CNPEM) will host the third Workshop SMX – MX at Sirius for Fragment Screening. This two-day workshop will be held on November 4 and 5, 2024, as one of the satellite events of the 34th LNLS Annual Users Meeting. 

This workshop aims to bring together the LNLS community – external users, including students, researchers, and professionals – and experts working in the fields of structural biology, protein crystallography, and drug discovery, to disseminate the use of fragment screening and its implementation at the Manacá beamline of the Sirius synchrotron. 

The first edition of SMX was held in November 2018, as one of the satellite workshops of the 28th RAU, focusing on the status and potentialities of the Manacá beamline, which was still under construction at the time. In this edition, with the Manacá beamline now in operation, the workshop aims to present the state-of-the-art in fragment screening using crystallography and its importance for drug discovery and the characterization of allosteric binding sites. National and international speakers will present the basic, practical aspects, and the status of fragment screening experiments in several open facilities. 

Organization

Chair: Andrey Fabricio Ziem Nascimento (LNLS/CNPEM), Maria Cristina Nonato (FCFRP/USP)
Co-chair: Daniela Barretto Barbosa Trivella (LNBio/CNPEM)
Evandro Ares de Araujo (LNLS/CNPEM)
Manfred Weiss (Helmholtz-Zentrum Berlin)
Uwe Mueller (Helmholtz-Zentrum Berlin)

  • Event Location: Available soon

Program

4 November

Time Satellite Workshop SMX
08:00 – 08:30 Reception and Registration
08:30 – 08:40 Welcome – Org. Committee – Andrey and Cristina (LNLS/CNPEM and USP, Brazil)
08:40 – 09:10 Presentation of DMB-LNLS – Mateus Cardoso (LNLS/CNPEM, Brazil)
09:10 – 10:10 Conference 1 – Frag.-Screen. by X-ray cryst. – To be confirmed
10:10 – 10:40 Coffee Break 
10:40 – 11:10 Seminar 1 – How to do Frag. Screen.? – Tatjana Barthel (HZB, Germany)
11:10 – 11:30 Student talk 1 – To be selected from abstracts
11:30 – 11:50 Student talk 2 – To be selected from abstracts
11:50 – 12:30 Seminar 2 – Clustering of data sets – To be confirmed
12:30 – 14:00 Lunch Break
14:00 – 14:40 MANACÁ beamline visit – Andrey or Evandro (LNLS/CNPEM, Brazil)
14:40 – 15:10 Seminar 3 – Frag. Screen. at HZB – Uwe Mueller or Manfred Weiss (HZB, Germany)
15:10 – 15:50 Seminar 4 – To be confirmed
15:50 – 16:20 Coffee Break 
16:20 – 16:50 Seminar 5 – Frag. Screen. at MAX IV – Tobias Krojer (MAX IV, Sweden)
16:50 – 17:20 Seminar 6 – Frag. Screen. at DLS – Daren Fearon (DLS, United Kingdom)
17:20 – 17:40 Discussion with the community

5 November

Time Satellite Workshop SMX 
09:00 – 10:00 Conference 2 – PanDDA / ligand ident. tool – Nicholas Pearce (Linköping University, Sweden)*
10:00 – 10:20 Student talk 3 – To be selected from abstracts
10:20 – 10:40 Student talk 4 – To be selected from abstracts
10:40 – 11:10 Coffee Break 
11:10 – 11:45 Seminar 7 – Frag. Screen. at industry – Gustavo Lima (Astex, Reino Unido)
11:45 – 12:20 Seminar 8 – Drug Disc. at Brazil. Industry – Hatylas Azevedo (Aché), Cristiano Guimarães (Nintx)
12:20 – 14:00 Lunch Break
14:00 – 14:35 Seminar 9 – Applic. of Frag. Screen. – André Godoy (USP, Brazil)
14:35 – 16:10 Seminar 10 – Applic. of Frag. Screen. – Marcio Dias (USP, Brazil)
16:10 – 16:40 Coffee Break 
16:40 – 17:15 Seminar 11 – Applic. of Frag. Screen. – Cristina Nonato (USP, Brazil)
17:15 – 17:50 Seminar 12 – Applic. of Frag. Screen. – Daniela Trivella (LNBio/CNPEM, Brazil)
17:50 – 18:00 Closing Remarks – Andrey and Cristina (LNLS/CNPEM and USP, Brazil)

*Not confirmed

Topics

  • Drug discovery using X ray crystallography
  • Characterization of allosteric biding sites
  • Crystallographic data processing for fragment screening
  • Fragment screening and drug discovery at Sirius

Invited Speakers

  • André Godoy (USP, Brasil)
  • Andrey Fabricio Ziem Nascimento (LNLS, CNPEM, Brasil)
  • Daniela Trivella (LNBio, CNPEM, Brasil)
  • Daren Fearon (DLS, Reino Unido)
  • Gustavo Lima (Astex, Reino Unido)
  • Hatylas Azevedo (Aché, Brazil)
  • Cristiano Guimarães (Nintx, Brazil)
  • Manfred Weiss (Helmholtz-Zentrum Berlin, Alemanha)
  • Marcio Dias (USP, Brasil)
  • Maria Cristina Nonato (FCFRP, USP, Brasil)
  • Mateus Cardoso (LNLS, CNPEM, Brasil)
  • Nicholas Pearce (Linköping University, Suécia)
  • Tatjana Barthel (Helmholtz-Zentrum Berlin, Alemanha)
  • Tobias Krojer (MAX IV, Suécia)
  • Uwe Mueller (Helmholtz-Zentrum Berlin, Alemanha)

This is a satellite workshop to the 34th edition of the Annual Users Meeting (RAU).