7NXJ
Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531
Summary for 7NXJ
Entry DOI | 10.2210/pdb7nxj/pdb |
Descriptor | Cyclin-dependent kinase 13, Cyclin-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide, ... (4 entities in total) |
Functional Keywords | cdk13, cyclin k, ccnk, thz531, kinase, transcription |
Biological source | Homo sapiens (Human) More |
Total number of polymer chains | 4 |
Total formula weight | 145022.25 |
Authors | Anand, K.,Greifenberg, A.K.,Kaltheuner, I.H.,Geyer, M. (deposition date: 2021-03-18, release date: 2021-05-12, Last modification date: 2024-01-31) |
Primary citation | Jiang, B.,Jiang, J.,Kaltheuner, I.H.,Iniguez, A.B.,Anand, K.,Ferguson, F.M.,Ficarro, S.B.,Seong, B.K.A.,Greifenberg, A.K.,Dust, S.,Kwiatkowski, N.P.,Marto, J.A.,Stegmaier, K.,Zhang, T.,Geyer, M.,Gray, N.S. Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221:113481-113481, 2021 Cited by PubMed: 33945934DOI: 10.1016/j.ejmech.2021.113481 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.36 Å) |
Structure validation
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