6WBW

Structure of Human HDAC2 in complex with an ethyl ketone inhibitor

Summary for 6WBW

Entry DOI	10.2210/pdb6wbw/pdb
Descriptor	Histone deacetylase 2, N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide, ZINC ION, ... (6 entities in total)
Functional Keywords	histone deacetylase, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	3
Total formula weight	131746.22
Authors	Klein, D.J.,Yu, W. (deposition date: 2020-03-27, release date: 2020-05-06, Last modification date: 2024-03-06)
Primary citation	Yu, W.,Liu, J.,Yu, Y.,Zhang, V.,Clausen, D.,Kelly, J.,Wolkenberg, S.,Beshore, D.,Duffy, J.L.,Chung, C.C.,Myers, R.W.,Klein, D.J.,Fells, J.,Holloway, K.,Wu, J.,Wu, G.,Howell, B.J.,Barnard, R.J.O.,Kozlowski, J. Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 30:127197-127197, 2020 Cited by PubMed: 32331932 DOI: 10.1016/j.bmcl.2020.127197 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.46 Å)

Structure validation