6MOA
C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole inhibitor
Summary for 6MOA
Entry DOI | 10.2210/pdb6moa/pdb |
Descriptor | Bromodomain-containing protein 2, 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole, GLYCEROL, ... (4 entities in total) |
Functional Keywords | inhibitor, epigenetic reader, bromodomain, transcription-transcription inhibitor complex, transcription/transcription inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 13457.47 |
Authors | Lansdon, E.B.,Newby, Z.E.R. (deposition date: 2018-10-04, release date: 2019-01-23, Last modification date: 2024-03-13) |
Primary citation | Sperandio, D.,Aktoudianakis, V.,Babaoglu, K.,Chen, X.,Elbel, K.,Chin, G.,Corkey, B.,Du, J.,Jiang, B.,Kobayashi, T.,Mackman, R.,Martinez, R.,Yang, H.,Zablocki, J.,Kusam, S.,Jordan, K.,Webb, H.,Bates, J.G.,Lad, L.,Mish, M.,Niedziela-Majka, A.,Metobo, S.,Sapre, A.,Hung, M.,Jin, D.,Fung, W.,Kan, E.,Eisenberg, G.,Larson, N.,Newby, Z.E.R.,Lansdon, E.,Tay, C.,Neve, R.M.,Shevick, S.L.,Breckenridge, D.G. Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor. Bioorg. Med. Chem., 27:457-469, 2019 Cited by PubMed: 30606676DOI: 10.1016/j.bmc.2018.11.020 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.271 Å) |
Structure validation
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