5IN9
Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds.
Summary for 5IN9
| Entry DOI | 10.2210/pdb5in9/pdb |
| Descriptor | Endoplasmin, TRIETHYLENE GLYCOL, GLYCEROL, ... (5 entities in total) |
| Functional Keywords | cation-pi interaction, bnim and radamide scaffold-based inhibitor, atp binding site, chaperone-inhibitor complex, chaperone/inhibitor |
| Biological source | Canis lupus familiaris (Dog) |
| Cellular location | Endoplasmic reticulum lumen: P41148 |
| Total number of polymer chains | 2 |
| Total formula weight | 54545.10 |
| Authors | Lieberman, R.L.,Huard, D.J.E.,Kizziah, J.L. (deposition date: 2016-03-07, release date: 2016-05-04, Last modification date: 2023-09-27) |
| Primary citation | Crowley, V.M.,Khandelwal, A.,Mishra, S.,Stothert, A.R.,Huard, D.J.,Zhao, J.,Muth, A.,Duerfeldt, A.S.,Kizziah, J.L.,Lieberman, R.L.,Dickey, C.A.,Blagg, B.S. Development of Glucose Regulated Protein 94-Selective Inhibitors Based on the BnIm and Radamide Scaffold. J.Med.Chem., 59:3471-3488, 2016 Cited by PubMed: 27003516DOI: 10.1021/acs.jmedchem.6b00085 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.6 Å) |
Structure validation
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