7VSF

crystal structure of BRD2-BD1 in complex with purine derivative

Summary for 7VSF

Entry DOI	10.2210/pdb7vsf/pdb
Descriptor	Bromodomain-containing protein 2, 3-methyl-7-propyl-purine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... (5 entities in total)
Functional Keywords	bet family, bet inhibitor, bromodomain inhibitor, brd2-bd1 inhibitor, transcription-inhibitor complex, transcription/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	3
Total formula weight	45615.04
Authors	Padmanabhan, B.,Arole, A.,Deshmukh, P.,Ashok, S.,Mathur, S. (deposition date: 2021-10-26, release date: 2023-02-01, Last modification date: 2023-11-29)
Primary citation	Arole, A.H.,Deshmukh, P.,Sridhar, A.,Mathur, S.,Mahalingaswamy, M.,Subramanya, H.,Dalavaikodihalli Nanjaiah, N.,Padmanabhan, B. Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family. Acta Crystallogr D Struct Biol, 79:758-774, 2023 Cited by PubMed: 37432115 DOI: 10.1107/S2059798323005211 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation