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

Ren, X. (deposition date: 2022-10-18, release date: 2023-02-22, Last modification date: 2023-03-29)

• 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; PubMed: 36923916; DOI: 10.1021/acsmedchemlett.2c00515

Experimental method

X-RAY DIFFRACTION (2.44 Å)