3AN4

Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO4R

Summary for 3AN4

• Entry DOI: 10.2210/pdb3an4/pdb
• Related: 3AN3
• Descriptor: Peroxisome proliferator-activated receptor gamma, (2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid (3 entities in total)
• Functional Keywords: mainly alpha, nuclear receptor, transcription
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus: P37231
• Total number of polymer chains: 2
• Total formula weight: 65627.05

Authors

Oyama, T.,Ohashi, M.,Waku, T.,Miyachi, H.,Morikawa, K. (deposition date: 2010-08-30, release date: 2011-07-27, Last modification date: 2023-11-01)

Primary citation

Ohashi, M.,Oyama, T.,Nakagome, I.,Satoh, M.,Nishio, Y.,Nobusada, H.,Hirono, S.,Morikawa, K.,Hashimoto, Y.,Miyachi, H.
Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54:331-341, 2011

PubMed Abstract: Peroxisome proliferator-activated receptor gamma (PPARγ) is a ligand-mediated transcription factor with roles in glucose, lipid, and lipoprotein homeostasis, and PPARγ ligands are expected have therapeutic potential in these as well as other areas. We report here the design, synthesis, crystallographic analysis, and computational studies of α-benzylphenylpropanoic acid PPARγ agonists. Interestingly, these compounds show a reversal of the stereochemistry-transactivation activity relationship observed with other phenylpropanoic acid ligands.

PubMed: 21128600
DOI: 10.1021/jm101233f

Experimental method

X-RAY DIFFRACTION (2.3 Å)