6SO4
Fragment RZ132 in complex with MAP kinase p38-alpha
Summary for 6SO4
Entry DOI | 10.2210/pdb6so4/pdb |
Descriptor | Mitogen-activated protein kinase 14, (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide, CHLORIDE ION, ... (6 entities in total) |
Functional Keywords | fbdd, fragment based drug design, p38, mapk14, kinase, transferase., transferase |
Biological source | Mus musculus (House mouse) |
Total number of polymer chains | 1 |
Total formula weight | 44527.26 |
Authors | Nichols, C.E.,De Nicola, G.F. (deposition date: 2019-08-29, release date: 2019-09-11, 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 (1.51 Å) |
Structure validation
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