5R8H

PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z111716368 in complex with INTERLEUKIN-1 BETA

Summary for 5R8H

Entry DOI	10.2210/pdb5r8h/pdb
Group deposition	PanDDA analysis group deposition INTERLEUKIN-1 BETA (G_1002139)
Descriptor	Interleukin-1 beta, SULFATE ION, N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide, ... (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	17833.28
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: 32543856 DOI: 10.1021/acs.jmedchem.0c00403 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation