5R87

PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z44592329 in complex with INTERLEUKIN-1 BETA

5R87 の概要

• エントリーDOI: 10.2210/pdb5r87/pdb
• Group deposition: PanDDA analysis group deposition INTERLEUKIN-1 BETA (G_1002139)
• 分子名称: Interleukin-1 beta, SULFATE ION, N-phenyl-N'-pyridin-3-ylurea, ... (4 entities in total)
• 機能のキーワード: il-1 beta, signaling protein, sgc - diamond i04-1 fragment screening, pandda, xchemexplorer
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 17801.19

構造登録者

De Nicola, G.F.,Nichols, C.E. (登録日: 2020-03-03, 公開日: 2020-04-22, 最終更新日: 2024-03-06)

• 主引用文献: 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; PubMed: 32543856; DOI: 10.1021/acs.jmedchem.0c00403

実験手法

X-RAY DIFFRACTION (1.47 Å)