6ODA

Crystal structure of HDAC8 in complex with compound 2

Summary for 6ODA

• Entry DOI: 10.2210/pdb6oda/pdb
• Descriptor: Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, ZINC ION, ... (5 entities in total)
• Functional Keywords: histone deacetylase, hdac8, hydroxamic acid, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 3
• Total formula weight: 139415.46

Authors

Zheng, X.,Conti, C.,Caravella, J.,Zablocki, M.-M.,Bair, K.,Barczak, N.,Han, B.,Lancia Jr., D.,Liu, C.,Martin, M.,Ng, P.Y.,Rudnitskaya, A.,Thomason, J.J.,Garcia-Dancey, R.,Hardy, C.,Lahdenranta, J.,Leng, C.,Li, P.,Pardo, E.,Saldahna, A.,Tan, T.,Toms, A.V.,Yao, L.,Zhang, C. (deposition date: 2019-03-26, release date: 2020-04-01, Last modification date: 2023-10-11)

• Primary citation: Zheng, X.,Conti, C.,Caravella, J.,Zablocki, M.-M.,Bair, K.,Barczak, N.,Han, B.,Lancia Jr., D.,Liu, C.,Martin, M.,Ng, P.Y.,Rudnitskaya, A.,Thomason, J.J.,Garcia-Dancey, R.,Hardy, C.,Lahdenranta, J.,Leng, C.,Li, P.,Pardo, E.,Saldahna, A.,Tan, T.,Toms, A.V.,Yao, L.,Zhang, C.; Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.88 Å)