4C13
x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys
Summary for 4C13
| Entry DOI | 10.2210/pdb4c13/pdb |
| Related | 4C12 |
| Related PRD ID | PRD_002099 |
| Descriptor | UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMATE--L-LYSINE LIGASE, CHLORIDE ION, MAGNESIUM ION, ... (7 entities in total) |
| Functional Keywords | ligase, mure |
| Biological source | STAPHYLOCOCCUS AUREUS |
| Total number of polymer chains | 1 |
| Total formula weight | 56508.38 |
| Authors | Ruane, K.M.,Roper, D.I.,Fulop, V.,Barreteau, H.,Boniface, A.,Dementin, S.,Blanot, D.,Mengin-Lecreulx, D.,Gobec, S.,Dessen, A.,Dowson, C.G.,Lloyd, A.J. (deposition date: 2013-08-09, release date: 2013-10-02, Last modification date: 2025-04-09) |
| Primary citation | Wang, L.,Shao, X.,Zhong, T.,Wu, Y.,Xu, A.,Sun, X.,Gao, H.,Liu, Y.,Lan, T.,Tong, Y.,Tao, X.,Du, W.,Wang, W.,Chen, Y.,Li, T.,Meng, X.,Deng, H.,Yang, B.,He, Q.,Ying, M.,Rao, Y. Discovery of a first-in-class CDK2 selective degrader for AML differentiation therapy. Nat.Chem.Biol., 2021 Cited by PubMed Abstract: The discovery of effective therapeutic treatments for cancer via cell differentiation instead of antiproliferation remains a great challenge. Cyclin-dependent kinase 2 (CDK2) inactivation, which overcomes the differentiation arrest of acute myeloid leukemia (AML) cells, may be a promising method for AML treatment. However, there is no available selective CDK2 inhibitor. More importantly, the inhibition of only the enzymatic function of CDK2 would be insufficient to promote notable AML differentiation. To further validate the role and druggability of CDK2 involved in AML differentiation, a suitable chemical tool is needed. Therefore, we developed first-in-class CDK2-targeted proteolysis-targeting chimeras (PROTACs), which promoted rapid and potent CDK2 degradation in different cell lines without comparable degradation of other targets, and induced remarkable differentiation of AML cell lines and primary patient cells. These data clearly demonstrated the practicality and importance of PROTACs as alternative tools for verifying CDK2 protein functions. PubMed: 33664520DOI: 10.1038/s41589-021-00742-5 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
Download full validation report
