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Structure paper

TitleEstimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations.
Journal, issue, pagesJ. Chem. Inf. Model., Vol. 59, Page 5135-5147, Year 2019
Publish dateAug 19, 2016 (structure data deposition date)
AuthorsWolf, S. / Amaral, M. / Lowinski, M. / Vallee, F. / Musil, D. / Guldenhaupt, J. / Dreyer, M.K. / Bomke, J. / Frech, M. / Schlitter, J. / Gerwert, K.
External linksJ. Chem. Inf. Model. / PubMed:31697501
MethodsX-ray diffraction
Resolution1.33 Å
Structure data

PDB-5lrl:
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003492875
Method: X-RAY DIFFRACTION / Resolution: 1.33 Å

Chemicals

ChemComp-73S:
2-azanyl-5-chloranyl-~{N}-[(9~{R})-4-(1~{H}-imidazo[4,5-c]pyridin-2-yl)-9~{H}-fluoren-9-yl]pyrimidine-4-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCHAPERONE PROTEIN

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