5R9G
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment PC587 in complex with MAP kinase p38-alpha
Summary for 5R9G
Entry DOI | 10.2210/pdb5r9g/pdb |
Group deposition | PanDDA analysis group deposition Form1 MAP kinase p38-alpha (G_1002145) |
Descriptor | Mitogen-activated protein kinase 14, (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol, CHLORIDE ION, ... (7 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 | 41949.21 |
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 (1.73 Å) |
Structure validation
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