7W3D

Crystal structure of BRD4 bromodomain 1 (BD1) in complex with N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine

Summary for 7W3D

Entry DOI	10.2210/pdb7w3d/pdb
Descriptor	Bromodomain-containing protein 4, N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine (3 entities in total)
Functional Keywords	protein-inhibitor complex, transcription
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	15445.72
Authors	Park, T.H.,Lee, B.I. (deposition date: 2021-11-25, release date: 2022-09-07, Last modification date: 2023-11-29)
Primary citation	Pandit, N.,Yoo, M.,Hyun Park, T.,Kim, J.,Mi Kim, S.,Myung Lee, K.,Kim, Y.,Min Bong, S.,Il Lee, B.,Jung, K.Y.,Hoon Park, C. Discovery of BET specific bromodomain inhibitors with a novel scaffold. Bioorg.Med.Chem., 72:116967-116967, 2022 Cited by PubMed: 36099719 DOI: 10.1016/j.bmc.2022.116967 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.98 Å)

Structure validation