1XUO

X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution

Summary for 1XUO

• Entry DOI: 10.2210/pdb1xuo/pdb
• Related: 1CQP 1XDD 1XDG
• Descriptor: Integrin alpha-L, MAGNESIUM ION, (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE, ... (4 entities in total)
• Functional Keywords: i-domain, integrin, immune system
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P20701
• Total number of polymer chains: 2
• Total formula weight: 43436.40

Authors

Wattanasin, S.,Kallen, J.,Myers, S.,Guo, Q.,Sabio, M.,Ehrhardt, C.,Albert, R.,Hommel, U.,Weckbecker, G.,Welzenbach, K. (deposition date: 2004-10-26, release date: 2005-10-26, Last modification date: 2024-03-20)

Primary citation

Wattanasin, S.,Kallen, J.,Myers, S.,Guo, Q.,Sabio, M.,Ehrhardt, C.,Albert, R.,Hommel, U.,Weckbecker, G.,Welzenbach, K.,Weitz-Schmidt, G.
1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1
Bioorg.Med.Chem.Lett., 15:1217-1220, 2005

PubMed Abstract: 1,4-Diazepane-2,5-diones (2) are found to be a new class of potent LFA-1 inhibitors. The synthesis, structure, and biological evaluation of these 1,4-diazepine-2,5-diones and related derivatives are described.

PubMed: 15686945
DOI: 10.1016/j.bmcl.2004.11.072

Experimental method

X-RAY DIFFRACTION (1.8 Å)