+Search query
-Structure paper
Title | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors. |
---|---|
Journal, issue, pages | Nat Commun, Vol. 13, Page 6447-6447, Year 2022 |
Publish date | Sep 3, 2021 (structure data deposition date) |
![]() | Beroza, P. / Crawford, J.J. / Ganichkin, O. / Gendelev, L. / Harris, S.F. / Klein, R. / Miu, A. / Steinbacher, S. / Klingler, F.M. / Lemmen, C. |
![]() | ![]() ![]() |
Methods | X-ray diffraction |
Resolution | 2.337 - 2.744 Å |
Structure data | ![]() PDB-7s25: ![]() PDB-7s26: |
Chemicals | ![]() ChemComp-CL: ![]() ChemComp-86G: ![]() ChemComp-HOH: ![]() ChemComp-EPE: ![]() ChemComp-86K: |
Source |
|
![]() | TRANSFERASE / RHO KINASE / PROTEROS BIOSTRUCTURES GMBH |