6IG8
Crystal structure of CSF-1R kinase domain with a small molecular inhibitor, JTE-952
Summary for 6IG8
| Entry DOI | 10.2210/pdb6ig8/pdb |
| Descriptor | Macrophage colony-stimulating factor 1 receptor, MAGNESIUM ION, GLYCEROL, ... (5 entities in total) |
| Functional Keywords | csf-1-r, fms proto-oncogene, c-fms, cd115 antigen, kinase, atp-binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
| Biological source | Homo sapiens (Human) More |
| Total number of polymer chains | 1 |
| Total formula weight | 36939.87 |
| Authors | Doi, S.,Adachi, T. (deposition date: 2018-09-25, release date: 2019-08-07, Last modification date: 2023-11-22) |
| Primary citation | Ikegashira, K.,Ikenogami, T.,Yamasaki, T.,Hase, Y.,Yamaguchi, T.,Inagaki, K.,Doi, S.,Adachi, T.,Koga, Y.,Hashimoto, H. Discovery of a novel azetidine scaffold for colony stimulating factor-1 receptor (CSF-1R) Type II inhibitors by the use of docking models. Bioorg.Med.Chem.Lett., 29:115-118, 2019 Cited by PubMed Abstract: We report the discovery of a novel azetidine scaffold for colony stimulating factor-1 receptor (CSF-1R) Type II inhibitors by using a structure-based drug design (SBDD) based on a docking model. The work leads to the representative compound 4a with high CSF-1R inhibitory activity (IC = 9.1 nM). The obtained crystal structure of an azetidine compound with CSF-1R, which matched our predicted docking model, demonstrates that the azetidine compounds bind to the DFG-out conformation of the protein as a Type II inhibitor. PubMed: 30442420DOI: 10.1016/j.bmcl.2018.10.051 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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