5R91
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL057 in complex with MAP kinase p38-alpha
Summary for 5R91
Entry DOI | 10.2210/pdb5r91/pdb |
Group deposition | PanDDA analysis group deposition Form1 MAP kinase p38-alpha (G_1002145) |
Descriptor | Mitogen-activated protein kinase 14, 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol, CHLORIDE ION, ... (8 entities in total) |
Functional Keywords | p38, mapk14, kinase, transferase, sgc - diamond i04-1 fragment screening, pandda, xchemexplorer |
Biological source | Mus musculus (Mouse) |
Total number of polymer chains | 1 |
Total formula weight | 41958.82 |
Authors | De Nicola, G.F.,Nichols, C.E. (deposition date: 2020-03-04, release date: 2020-07-22, Last modification date: 2024-03-06) |
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 (1.731 Å) |
Structure validation
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