8W8K

Crystal structures of HSP90 and the compound Ganetespid in the "closed" conformation

Summary for 8W8K

Entry DOI	10.2210/pdb8w8k/pdb
Descriptor	Heat shock protein HSP 90-alpha, 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, MAGNESIUM ION, ... (4 entities in total)
Functional Keywords	hsp90, atpase, ntd, inhibitor, chaperone
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	55428.22
Authors	Xu, C.,Zhang, X.L.,Bai, F. (deposition date: 2023-09-03, release date: 2024-04-17, Last modification date: 2024-05-08)
Primary citation	Xu, C.,Zhang, X.,Zhao, L.,Verkhivker, G.M.,Bai, F. Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies. Jacs Au, 4:1632-1645, 2024 Cited by PubMed: 38665669 DOI: 10.1021/jacsau.4c00123 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.25 Å)

Structure validation