27-Mar-2020 Rehovot Dear Frank
Thanks very much for posting this msg - sounds just terrific and emphasizes just how important a role structural biology is playing to aid in the discovery of lead compounds for treatment of COVID-19, and how this is being done in a collaborative way throughout the world. We've added a pointer to this initiative to the Proteopedia page on: "Coronavirus Disease 2019 (COVID-19)" so as to give additional publicity to what you are doing to a wider audience beyond the CCP4 Bulletin board, see page, i.e. http://proteopedia.org/w/Coronavirus_Disease_2019_(COVID-19) Info on this new initiative is in the text just following the initial work done at XChem facility at Diamond, the text reads: ====== * A team of UK & Israeli scientists determined 25 crystal structure of SARS-CoV-2 main protease in complex with a series of different inhibitors. All the experimental details and results are available online at the Diamond Light Source. * An international group of scientists from academia & industry are trying to help combat COVID-19. This effort began when Chinese scientists worked rapidly to determine the structure of the novel SARS-CoV-2 main protease (Mpro), which triggered a massive crystal-based fragment screen (see text, in the point just above) at the XChem facility at UK’s Diamond Light Source. With the same urgency, they are now trying to progress these data towards what is desperately needed: effective, easy-to-make anti-COVID drugs. They welcome contributions of many forms including scientific expertise, experimental capabilities, and indeed donations to make this possible, go to PostEra for more information. ======= If you have any suggestions/changes on the text or page in general, please let us know. Best regards Joel ------------------------------------------------------------------------------------ Prof. Joel L. Sussman. joel.suss...@weizmann.ac.il<mailto:joel.suss...@weizmann.ac.il> www.weizmann.ac.il/~joel<http://www.weizmann.ac.il/~joel> Dept. of Structural Biology tel: +972 (8) 934 6309 proteopedia.org<http://proteopedia.org> Weizmann Institute of Science fax: +972 (8) 934 6312 Rehovot 76100 ISRAEL mob: +972 (50) 510 9600 ------------------------------------------------------------------------------------- On 26 Mar 2020, at 2:36, Frank Von Delft <frank.vonde...@sgc.ox.ac.uk<mailto:frank.vonde...@sgc.ox.ac.uk>> wrote: To all you structural biologists locked out of your labs, bored with answering emails or writing your non-COVID paper, and itching all your lives to be medicinal chemists, here's your chance: https://covid.postera.ai/covid And you get to do something directly on COVID too. It's easy: * stare at the pile of fragments we found bound to the SARS-CoV-2 Main Protease in our somewhat epic XChem fragment screen<https://www.diamond.ac.uk/covid-19/for-scientists/Main-protease-structure-and-XChem.html> this month (alluded to by others) * see if you can spot cool ways of (especially) merging those hits - or anything else * draw the compound onto that page * hit submit It's actually a bit harder than it sounds - so we're betting that many brains will crack the nut of hitting potency in one go (!). We will do the rest - well, we'll try, if the Filters Approve and the Funds Permit -- and even for that, you can contribute, or tell people that could contribute (details on that page). First collection closes tomorrow (Thurs) midnight Pacific Time (but there will be more). Yes, it is a huge social experiment and a total crapshoot - but we must do something! So thank you for all and any help... *** Do forward to anybody relevant, especially experienced medicinal chemists. *** If you know virology labs set up to do SARS-CoV-2 assays, email the address on that page. *** If you have help to offer or wisdom to share, do so on the forums on that page *** If you want to use the data for anything else - PLEASE DO - we were anxious to push it out ahead of PDB release cycle or getting preprint written. Frank -- Prof Frank von Delft Professor for Structural Chemical Biology Principal Beamline Scientist: I04-1 and XChem Diamond Light Source +44 1235 778997 (office: M,T,T) +44 7471 026103 (mobile) Principal Investigator: Protein Crystallography Structural Genomics Consortium Oxford University +44 1865 617583 (office: W,F) ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
