The GPCR molecular dynamics database

visualize · inspect · analyze

Examples: 5-hydroxytryptamine receptor 1b, 5ht1b_human, P28222, 4IAQ

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GPCRome

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Welcome to the online platform with web-based visualization capabilities and a comprehensive analysis toolbox that allows visualizing, inspecting, and analysing GPCR molecular dynamics.

Select a simulation to see the tool

If you want to view a simulation with all tools check this example:
Adenosine receptor A2a in complex with xanthine amine congener (3REY)

Tool icons created with BioRender.com

Developed by the GPCR Drug Discovery group in Barcelona,

GPCRmd bridges molecular insights and therapeutic discovery.

Check the available simulations

Look into the family tree to find any simulated structure. The family tree helps you find the GPCR you are looking for. The GPCRs are classified by class and family. Finally, the different PDBs corresponding to each protein are displayed. Put your mouse in the PDB you are interested in and find out the different simulations.
Click on the GPCRome to discover available simulations!

Allosteric mechanism in the distinctive …

Zhang, Xuan and Lee, Ji Young and Pacheco, Jonathan and Sutkeviciute, Ieva and Anitha, Anju …

The mechanism determining the preferential stimulation of one heterotrimeric G protein signaling pathway over another by a ligand remains undetermined. By reporting the cryogenic electron microscopy (cryo-EM) structure of the parathyroid hormone (PTH) type 1 receptor (PTH1R) complexed with Gq and comparing its allosteric dynamics with that of PTH1R in …

Aranda-Garcia, David and Stepniewski, Tomasz Maciej and Torrens-Fontanals, Mariona and Garcia-Recio, Adrian and Lopez-Balastegui, Marta …

G protein-coupled receptors (GPCRs) constitute a functionally diverse protein family and are targets for a broad spectrum of pharmaceuticals. Technological progress in X-ray crystallography and cryogenic electron microscopy has enabled extensive, high-resolution structural characterisation of GPCRs in different conformational states. However, as highly dynamic events underlie GPCR signalling, a complete …

Heo, Eun Ha and Abrol, Ravinder

The endocannabinoid signaling system is comprised of CB1 and CB2 G protein-coupled receptors (GPCRs). CB2 receptor subtype is predominantly expressed in the immune cells and signals through its transducer proteins (Gi protein and β-arrestin-2). Arrestins are signaling proteins that bind to many GPCRs after receptor phosphorylation to terminate G protein …

Bous, Julien and Kinsolving, Julia and Gratz, Lukas and Scharf, Magdalena M. and Voss, Jan …

Frizzleds (ten paralogs: FZD1-10) belong to the class F of G protein-coupled receptors (GPCRs), which remains poorly understood despite its crucial role in multiple key biological functions including embryonic development, stem cell regulation, and homeostasis in the adult. FZD7, one of the most studied members of the family, is more …

Papadopoulos, M. Giovanna E. and Perhal, Alexander F. and Medel-Lacruz, Brian and Ladurner, Angela and …

The Takeda G protein-coupled receptor 5 (TGR5) is activated endogenously by primary and secondary bile acids. This receptor is considered a candidate target for addressing inflammatory and metabolic disorders. We have targeted TGR5 with structure-based methods for ligand finding using the recently solved experimental structures, as well as structures obtained …

Collaborative database

Our simulations have been computed and curated by our research team together with the collaboration of worldwide users that upload their own simulations.
Take a look at our dataset or upload your own simulation!