7JS8

STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22)

Summary for 7JS8

Entry DOI	10.2210/pdb7js8/pdb
Descriptor	Histone deacetylase 2, ZINC ION, SULFATE ION, ... (7 entities in total)
Functional Keywords	histone deacetylase, hydrolase, hydrolase-hydrolase inhibitor complex
Biological source	Homo sapiens (Human)
Total number of polymer chains	3
Total formula weight	132927.24
Authors	Klein, D.J.,Yu, W. (deposition date: 2020-08-14, release date: 2021-08-11, Last modification date: 2024-05-22)
Primary citation	Yu, W.,Liu, J.,Clausen, D.,Yu, Y.,Duffy, J.L.,Wang, M.,Xu, S.,Deng, L.,Suzuki, T.,Chung, C.C.,Myers, R.W.,Klein, D.J.,Fells, J.I.,Holloway, M.K.,Wu, J.,Wu, G.,Howell, B.J.,Barnard, R.J.O.,Kozlowski, J. Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity. J.Med.Chem., 64:4709-4729, 2021 Cited by PubMed: 33797924 DOI: 10.1021/acs.jmedchem.0c02150 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.634 Å)

Structure validation