8H6T

Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor

Summary for 8H6T

• Entry DOI: 10.2210/pdb8h6t/pdb
• Related: 8H6O 8H6P
• Descriptor: Cyclin-dependent kinase 2, G1/S-specific cyclin-E1, (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, ... (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: 66082.70

Authors

Ren, X. (deposition date: 2022-10-18, release date: 2023-02-22, Last modification date: 2023-09-20)

• 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 (3 Å)