6Y81
Fragment KCL_1088 in complex with MAP kinase p38-alpha
Summary for 6Y81
Entry DOI | 10.2210/pdb6y81/pdb |
Descriptor | Mitogen-activated protein kinase 14, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... (8 entities in total) |
Functional Keywords | fbdd, fragment based drug design, p38, mapk14, kinase, transferase |
Biological source | Mus musculus (House mouse) |
Total number of polymer chains | 1 |
Total formula weight | 42677.74 |
Authors | De Nicola, G.F.,Nichols, C.E. (deposition date: 2020-03-03, release date: 2020-03-11, 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 (1.54 Å) |
Structure validation
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