Publications
Kozielewicz P, Turku A, Bowin C-F, Petersen J, Valnohova J, Consuelo Alonso Cañizal M, Ono Y, Inoue A, Hoffmann C, Schulte G. 2020. Structural insight into small molecule action on Frizzleds. Nature communications 1 (11). doi: 10.1038/s41467-019-14149-3. (https://doi.org/10.1038/s41467-019-14149-3)
| 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 | Frizzled-4 | fzd4_human | Q9ULV1 | Frizzled | F | 6BD4 | Inactive | Homo sapiens | Apoform | human apo-Frizzled4 receptor | 61069 | POPC | 0.20 | GROMACS 2016.5 | CHARMM 36m | Schulte lab, Karolinska Institutet | Report | |
| View | Frizzled-6 | fzd6_human | O60353 | Frizzled | F | Homology model | Homo sapiens | Complex | Protonated smoothened agonist | inactive FZD6 bound to Smoothened agonist | 77153 | POPC | 1.00 | GROMACS 2016.5 | CHARMM 36m | Schulte lab, Karolinska Institutet | Report | |
| View | Frizzled-6 | fzd6_human | O60353 | Frizzled | F | Homology model | Homo sapiens | Complex | Protonated smoothened agonist | active-like FZD6 SAG1.3-bound | 140198 | POPC | 3.00 | GROMACS 2016.5 | CHARMM 36m | Schulte lab, Karolinska Institutet | Report | |
| View | Smoothened homolog | smo_human | Q99835 | Frizzled | F | 4QIN | Inactive | Homo sapiens | Complex | Protonated smoothened agonist | human smoothened receptor in complex with SAG | 72107 | POPC | 0.60 | GROMACS 2016.5 | CHARMM 36m | Schulte lab, Karolinska Institutet | Report |
| View | Smoothened homolog | smo_human | Q99835 | Frizzled | F | 4QIN | Inactive | Homo sapiens | Apoform | human smoothened receptor | 71969 | POPC | 0.60 | GROMACS 2016.5 | CHARMM 36m | Schulte lab, Karolinska Institutet | Report | |
| View | Smoothened homolog | smo_human | Q99835 | Frizzled | F | 4QIN | Inactive | Homo sapiens | Complex | Sag 1.5 | human smoothened receptor in complex with SAG | 67784 | POPC | 0.81 | Gromacs 2016.5 | CHARMM 36m | Schulte lab, Karolinska Institutet | Report |
| View | Smoothened homolog | smo_human | Q99835 | Frizzled | F | 4QIN | Inactive | Homo sapiens | Apoform | human smoothened receptor | 67795 | POPC | 1.33 | GROMACS 2016.5 | CHARMM 36m | Schulte lab, Karolinska Institutet | Report |
