8H6P
Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor
Summary for 8H6P
Entry DOI | 10.2210/pdb8h6p/pdb |
Related | 8H6O |
Descriptor | Cyclin-dependent kinase 2, G1/S-specific cyclin-E1, (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, ... (4 entities in total) |
Functional Keywords | inhibitor, complex, selective, anti-tumor, cell cycle |
Biological source | Homo sapiens (human) More |
Total number of polymer chains | 2 |
Total formula weight | 66066.65 |
Authors | |
Primary citation | Yu, Y.,Huang, J.,He, H.,Han, J.,Ye, G.,Xu, T.,Sun, X.,Chen, X.,Ren, X.,Li, C.,Li, H.,Huang, W.,Liu, Y.,Wang, X.,Gao, Y.,Cheng, N.,Guo, N.,Chen, X.,Feng, J.,Hua, Y.,Liu, C.,Zhu, G.,Xie, Z.,Yao, L.,Zhong, W.,Chen, X.,Liu, W.,Li, H. Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design. Acs Med.Chem.Lett., 14:297-304, 2023 Cited by PubMed: 36923916DOI: 10.1021/acsmedchemlett.2c00515 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.44 Å) |
Structure validation
Download full validation report