Publications
Tomasz Maciej Stepniewski, Jeong Seok Jia, Yaejin Yuna, Hye-Jin Yoona, Kyungjin Mina, Ramanuj Banerjeec, Arun K. Shuklac, Jana Selent, Hyung Ho Lee. Structure of an activation intermediate of β-arrestin reveals the arginine switch mechanism.
| Dynamic id | Receptor | Uniprot entry name | Uniprot ID | Family | Class | PDB ID | State | Species | Model type | Ligand(s) | Model name | Num. of atoms | Membrane composition | Accum. sim. time (µs) | Software | Force field | Submitted by | ||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| View | 1317 | 5-hydroxytryptamine receptor 2a | 5ht2a_human | P28223 | 5-Hydroxytryptamine receptors | A | 6A93 | Inactive | Homo sapiens | Complex | Ketanserin | ketansterine - 5HT2A complex | 56025 | POPC | 0.01 | ACEMD 5 | Charmm 36M | Tomasz Stepniewski, IMIM | Report |
| View | 1281 | Atypical chemokine receptor 3 | ackr3_human | P29067 P25106 | Chemokine receptors | A | N/A | None | Homo sapiens | Complex | Beta-arrestin-2 | Flexibility of intermediate B-arr2 | 146973 | 5.01 | Gromacs 5.1.4 | Charmm 36M | Tomasz Stepniewski, IMIM | Report | |
| View | 1280 | Beta-arrestin-2 | P29067 | None | N/A | None | Rattus norvegicus | Complex | Beta-arrestin-2 Beta-arrestin-2 | Spontaneous inactivation of intermediate B-arr2 | 143454 | 3.50 | Gromacs 5.1.4 | Charmm 36M | Tomasz Stepniewski, IMIM | Report |
