6SO1
Fragment N13569a in complex with MAP kinase p38-alpha
Summary for 6SO1
Entry DOI | 10.2210/pdb6so1/pdb |
Descriptor | Mitogen-activated protein kinase 14, 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, CHLORIDE ION, ... (6 entities in total) |
Functional Keywords | fbdd, fragment based drug design, p38, mapk14, kinase, transferase., transferase |
Biological source | Mus musculus (Mouse) |
Total number of polymer chains | 1 |
Total formula weight | 44508.62 |
Authors | Nichols, C.E.,De Nicola, G.F. (deposition date: 2019-08-28, release date: 2019-10-02, Last modification date: 2024-01-24) |
Primary citation | Nichols, C.,Ng, J.,Keshu, A.,Kelly, G.,Conte, M.R.,Marber, M.S.,Fraternali, F.,De Nicola, G.F. Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63:7559-7568, 2020 Cited by PubMed: 32543856DOI: 10.1021/acs.jmedchem.0c00403 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.66 Å) |
Structure validation
Download full validation report![Download](/newweb/media/icons/dl.png)
![Download](/newweb/media/icons/dl.png)