Free cookie consent management tool by TermsFeed GPCRmd
× Due to a recent server update, this page will be slow for the next 1-2 hours. We apologize for any inconvenience this may cause.

Publications

Papadopoulos, M. Giovanna E. and Perhal, Alexander F. and Medel-Lacruz, Brian and Ladurner, Angela and Selent, Jana and Dirsch, Verena M. and Kolb, Peter. 2024. Discovery and characterization of small-molecule TGR5 ligands with agonistic activity. European Journal of Medicinal Chemistry. doi: 10.1016/j.ejmech.2024.116616. (http://dx.doi.org/10.1016/j.ejmech.2024.116616)



Dynamic id Receptor Model name Uniprot entry name Uniprot ID Family Class PDB ID State Species Model type Source type Ligand(s) Num. of atoms Membrane composition Accum. sim. time (µs) Software Force field Submitted by
1995 G-protein coupled bile acid receptor 1 TGR5 - system 3 gpbar_human Q8TDU6 Bile acid receptors A 7cfm None Homo sapiens Complex Electron microscopy (CryoEM) 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-di... [(3r)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(2,4-difluorophen... 116718 POPC 1.50 ACEMD 3.2.3 CHARMM 7.3.1 M. Giovanna E. Papadopoulos, Philipps University Marburg
1991 G-protein coupled bile acid receptor 1 TGR5 - system 2 gpbar_human Q8TDU6 Bile acid receptors A 7cfm None Homo sapiens Complex Electron microscopy (CryoEM) 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-di... 116665 POPC CHL1 1.50 ACEMD 3.2.3 CHARMM 7.3.1 M. Giovanna E. Papadopoulos, Philipps University Marburg
1990 G-protein coupled bile acid receptor 1 TGR5 - system 1 gnas2_human gpbar_human P62873 P59768 Q8TDU6 P63092 Bile acid receptors A 7cfm None Homo sapiens Complex Electron microscopy (CryoEM) 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-di... G(s) beta-1 G(s) gamma-2 214279 POPC CHL1 1.50 ACEMD 3.2.3 CHARMM 7.3.1 M. Giovanna E. Papadopoulos, Philipps University Marburg
1996 G-protein coupled bile acid receptor 1 TGR5 - system 4 gpbar_human Q8TDU6 Bile acid receptors A 7cfm None Homo sapiens Complex Electron microscopy (CryoEM) 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-di... [(3r)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(2,4-difluorophen... 116581 POPC 1.50 ACEMD 3.2.3 CHARMM 7.3.1 M. Giovanna E. Papadopoulos, Philipps University Marburg

SUPPORTED BY

ERNEST (COST Action CA18133)

GLISTEN (COST Action CM1207)

GPCRForum