5LRL

CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003492875

Summary for 5LRL

• Entry DOI: 10.2210/pdb5lrl/pdb
• Descriptor: Heat shock protein HSP 90-alpha, 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 (3 entities in total)
• Functional Keywords: chaperone protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 23758.32

Authors

Vallee, F.,Dupuy, A. (deposition date: 2016-08-19, release date: 2017-08-23, Last modification date: 2024-01-10)

• Primary citation: Wolf, S.,Amaral, M.,Lowinski, M.,Vallee, F.,Musil, D.,Guldenhaupt, J.,Dreyer, M.K.,Bomke, J.,Frech, M.,Schlitter, J.,Gerwert, K.; Estimation of Protein-Ligand Unbinding Kinetics Using Non-Equilibrium Targeted Molecular Dynamics Simulations.; J.Chem.Inf.Model., 59:5135-5147, 2019; PubMed: 31697501; DOI: 10.1021/acs.jcim.9b00592

Experimental method

X-RAY DIFFRACTION (1.33 Å)