6G3O

Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide

Summary for 6G3O

Entry DOI	10.2210/pdb6g3o/pdb
Descriptor	Histone deacetylase 2, ZINC ION, CALCIUM ION, ... (9 entities in total)
Functional Keywords	hdac inhibitors, squaramide, histone, hydrolase-hydrolase inhibitor complex, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	3
Total formula weight	129529.01
Authors	Isabet, T.,Aurelly, M.,Chantalat, L.,Thoreau, E. (deposition date: 2018-03-26, release date: 2018-06-27, Last modification date: 2018-08-29)
Primary citation	Fournier, J.F.,Bhurruth-Alcor, Y.,Musicki, B.,Aubert, J.,Aurelly, M.,Bouix-Peter, C.,Bouquet, K.,Chantalat, L.,Delorme, M.,Drean, B.,Duvert, G.,Fleury-Bregeot, N.,Gauthier, B.,Grisendi, K.,Harris, C.S.,Hennequin, L.F.,Isabet, T.,Joly, F.,Lafitte, G.,Millois, C.,Morgentin, R.,Pascau, J.,Piwnica, D.,Rival, Y.,Soulet, C.,Thoreau, E.,Tomas, L. Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma. Bioorg. Med. Chem. Lett., 28:2985-2992, 2018 Cited by PubMed: 30122227 DOI: 10.1016/j.bmcl.2018.06.029 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.27 Å)

Structure validation