5R8L
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1891773393 in complex with INTERLEUKIN-1 BETA
Summary for 5R8L
Entry DOI | 10.2210/pdb5r8l/pdb |
Group deposition | PanDDA analysis group deposition INTERLEUKIN-1 BETA (G_1002139) |
Descriptor | Interleukin-1 beta, SULFATE ION, N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide, ... (4 entities in total) |
Functional Keywords | il-1 beta, signaling protein, sgc - diamond i04-1 fragment screening, pandda, xchemexplorer |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 17792.23 |
Authors | De Nicola, G.F.,Nichols, C.E. (deposition date: 2020-03-03, release date: 2020-04-22, 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 (1.56 Å) |
Structure validation
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