April 2022 - phenixbb - phenix-online.org

The lowest resolution score X-ray statics resolution bin is lower than overall datasets.
by Takebe Katsuki 11 Apr '22

11 Apr '22

Dear all, I am working on a 20 KD protein and We scaled the data sets 1.6Å. The lowest resolution score X-ray statics resolution bin is lower than overall datasets. Is this seriously problem? and How do I solve the problem? Could you give me some advice on this problem? DATA USED IN REFINEMENT. RESOLUTION RANGE HIGH (ANGSTROMS) : 1.600 RESOLUTION RANGE LOW (ANGSTROMS) : 44.488 　 [cid:[email protected]]

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Fragment-based drug discovery session at ACA 2022
by Tanner, John J. 08 Apr '22

08 Apr '22

As many of you know, the 2022 ACA meeting will be held in Portland, OR on July 29 to August 2. I would like to draw your attention to the session on fragment-based drug discovery and invite you to submit an abstract for an oral presentation. We welcome contributions from students as well as PIs. The Abstract deadline is April 15. https://www.acameeting.com/ Session details: 3.2.2 Fragment Based Drug Discovery 8/1/2022 @ 2:00:00 PM - 5:00:00 PM Sponsoring SIG(s): Industrial Co-Sponsoring SIG(s): BioMac Session Chair(s): Matt Clifton, Jack Tanner Fragment Based Drug Discovery (FBDD) utilizes small molecule compounds to help identify starting points in the drug discovery process. This process allowed for the discovery of lead compounds for difficult protein targets with small/shallow pockets or protein-protein interactions. In contrast to other screening techniques such as High-Throughput Screening (HTS) or DNA-encoded Libraries (DEL), FBDD utilizes small libraries of molecules (< 2000) with molecular weights less than ~200 Da. FBDD has been key in the development of multiple approved drugs and dozens of other drugs in clinical trials. This session will focus on the biophysical and structural techniques used in FBDD to identify initial starting points, optimization by fragment growing/linking, and the route to lead optimization. -- John J. Tanner Professor of Biochemistry and Chemistry Associate Chair of Biochemistry Department of Biochemistry University of Missouri 117 Schweitzer Hall 503 S College Avenue Columbia, MO 65211 Phone: 573-884-1280 Email: tannerjj(a)missouri.edu<mailto:[email protected]> https://cafnrfaculty.missouri.edu/tannerlab/ Lab: Schlundt Annex rooms 3,6,9, 203B, 203C Office: Schlundt Annex 203A

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CCN submissions and current issue
by Nigel Moriarty 05 Apr '22

05 Apr '22

Folks The deadline for submissions to the Computational Crystallography Newsletter (CCN) is 1 JUN 2022. Please consider writing an article of general interest to the community. The Computational Crystallography Newsletter (CCN) is an electronic newsletter for structural biologists, and is published online every 6 months. Feature articles, meeting announcements and reports can be submitted to me at any time for consideration. Submission of text by email or word-processing files using the CCN templates is requested. Past newsletters and a Microsoft Word template is attached to this email. Current Issue: January 2022 Full issue <https://phenix-online.org/phenixwebsite_static/mainsite/files/newsletter/CC…> Articles: - Extreme backbone outlier patterns when AlphaFold gives up <https://phenix-online.org/phenixwebsite_static/mainsite/files/newsletter/CC…> - Difference Density Tracer: A Tool for Rapid Visualization of Difference Densities in Proteins to identify Dynamics <https://phenix-online.org/phenixwebsite_static/mainsite/files/newsletter/CC…> Fitting Tips: - Fitting tips #22 – Places where you should never fit a cis-nonPro peptide <https://phenix-online.org/phenixwebsite_static/mainsite/files/newsletter/CC…> Cheers Nigel --- Nigel W. Moriarty Building 33R0349, Molecular Biophysics and Integrated Bioimaging Lawrence Berkeley National Laboratory Berkeley, CA 94720-8235 Phone : 510-486-5709 Email : NWMoriarty(a)LBL.gov Fax : 510-486-5909 Web : CCI.LBL.gov ORCID : orcid.org/0000-0001-8857-9464

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