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)

• 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, 2024; DOI: 10.1021/jacsau.4c00123

Experimental method

X-RAY DIFFRACTION (2.25 Å)