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-Structure paper
Title | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors. |
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Journal, issue, pages | Nat Commun, Vol. 13, Page 6447-6447, Year 2022 |
Publish date | Sep 3, 2021 (structure data deposition date) |
Authors | Beroza, P. / Crawford, J.J. / Ganichkin, O. / Gendelev, L. / Harris, S.F. / Klein, R. / Miu, A. / Steinbacher, S. / Klingler, F.M. / Lemmen, C. |
External links | Nat Commun / PubMed:36307407 |
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 |
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Keywords | TRANSFERASE / RHO KINASE / PROTEROS BIOSTRUCTURES GMBH |