7OPS
Crystal structure of haspin in complex with ZW282 (compound 2a)
Summary for 7OPS
| Entry DOI | 10.2210/pdb7ops/pdb |
| Descriptor | Serine/threonine-protein kinase haspin, 2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline, GLYCEROL, ... (4 entities in total) |
| Functional Keywords | haspin, kinase inhibitor, gsg2, structural genomics, structural genomics consortium, sgc, transferase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 41075.86 |
| Authors | Chaikuad, A.,Anizon, F.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2021-06-01, release date: 2021-07-21, Last modification date: 2024-01-31) |
| Primary citation | Zeinyeh, W.,Esvan, Y.J.,Josselin, B.,Defois, M.,Baratte, B.,Knapp, S.,Chaikuad, A.,Anizon, F.,Giraud, F.,Ruchaud, S.,Moreau, P. Synthesis and biological evaluation of Haspin inhibitors: Kinase inhibitory potency and cellular activity. Eur.J.Med.Chem., 236:114369-114369, 2022 Cited by PubMed Abstract: Haspin (haploid germ cell-specific nuclear protein kinase) offers a potential target for the development of new anticancer drugs. Thus, the identification of new inhibitors targeting this protein kinase is of high interest. However, Haspin inhibitors developed to date show a poor selectivity profile over other protein kinases of the human kinome. Here, we identified a new pyridoquinazoline based inhibitor (4), with excellent inhibitory activity and selectivity for Haspin (IC of 50 nM). We describe the structure-activity relationship study including the evaluation of this inhibitor on a large panel of 486 kinases as well as on immortalized or cancer cell lines. In addition, we determined the binding mode of analog 2a in complex with Haspin using X-ray crystallography. PubMed: 35447555DOI: 10.1016/j.ejmech.2022.114369 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.38 Å) |
Structure validation
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