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5R9T

PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13477a in complex with MAP kinase p38-alpha

Summary for 5R9T
Entry DOI10.2210/pdb5r9t/pdb
Group depositionPanDDA analysis group deposition Form1 MAP kinase p38-alpha (G_1002145)
DescriptorMitogen-activated protein kinase 14, 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one, CHLORIDE ION, ... (6 entities in total)
Functional Keywordsp38, mapk14, kinase, transferase, sgc - diamond i04-1 fragment screening, pandda, xchemexplorer
Biological sourceMus musculus (Mouse)
Total number of polymer chains1
Total formula weight42036.76
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 citationNichols, 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: 32543856
DOI: 10.1021/acs.jmedchem.0c00403
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.8 Å)
Structure validation

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