6ITM

Crystal structure of FXR in complex with agonist XJ034

Summary for 6ITM

Entry DOI	10.2210/pdb6itm/pdb
Descriptor	Bile acid receptor, HD3 Peptide from Nuclear receptor coactivator 1, 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone, ... (4 entities in total)
Functional Keywords	fxr, agonist, non-alcoholic liver disease, docking screening, transcription
Biological source	Homo sapiens (Human) More
Total number of polymer chains	4
Total formula weight	60224.08
Authors	Zhang, H.,Wang, Z. (deposition date: 2018-11-23, release date: 2019-11-27, Last modification date: 2023-11-22)
Primary citation	Xia, J.,Wang, Z.,Huan, Y.,Xue, W.,Wang, X.,Wang, Y.,Liu, Z.,Hsieh, J.H.,Zhang, L.,Wu, S.,Shen, Z.,Zhang, H.,Wang, X.S. Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists. J.Chem.Inf.Model., 60:1202-1214, 2020 Cited by PubMed: 32050066 DOI: 10.1021/acs.jcim.9b01030 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation