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Publications

Jeong Seok Ji, Yaejin Yun, Tomasz Maciej Stepniewski, Hye-Jin Yoon, Kyungjin Min, Ji Young Park, Chiwoon Chung, Ka Young Chung, Jana Selent, Hyung Ho Lee. An arginine switch drives the stepwise activation of β-arrestin.



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
2072 Beta-arrestin-2 ackr3_human P29067 P25106 None A 3P2D None Rattus norvegicus Complex Beta-arrestin-2 beta arrestin 2 ctail clustering docking model 167269 2.10 Acemd 3.0 Charmm 36M Tomasz Stepniewski, IMIM
2078 Beta-arrestin-2 ackr3_human P29067 P25106 None A 3P2D None Rattus norvegicus Complex Beta-arrestin-2 Beta-arrestin-2 beta arrestin 2 ctail clustering docking model 167269 2.10 Acemd 3.0 Charmm 36M Tomasz Stepniewski, IMIM
2079 Beta-arrestin-2 ackr3_human P29067 P25106 None A 3P2D None Rattus norvegicus Complex Beta-arrestin-2 Beta-arrestin-2 beta arrestin 2 ctail nores docking model 167269 1.50 Acemd 3.0 Charmm 36M Tomasz Stepniewski, IMIM
2071 Beta-arrestin-2 P29067 None 3P2D None Rattus norvegicus Complex Beta-arrestin-2 beta arrestin 2 ctail inactivation 155064 0.01 Acemd 3.0 Charmm 36M Tomasz Stepniewski, IMIM
2073 Beta-arrestin-2 P29067 None 3P2D None Rattus norvegicus Complex Beta-arrestin-2 beta arrestin 2 inactivation noctail 167061 1.50 Acemd 3.0 Charmm 36M Tomasz Stepniewski, IMIM
2077 Beta-arrestin-2 - P29067 None 3P2D None Rattus norvegicus Complex Atypical chemokine receptor 3 Beta-arrestin-2 Beta-arrestin-2 Beta arrestin 2 inactivation EtoA 167149 1.50 Acemd 3.0 Charmm 36M Tomasz Stepniewski, IMIM

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