8UG1
Crystal structure of KHK-C and compound 13
Summary for 8UG1
Entry DOI | 10.2210/pdb8ug1/pdb |
Descriptor | Ketohexokinase, {(2R)-1-[(4M)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl}methanol, SULFATE ION, ... (5 entities in total) |
Functional Keywords | inhibitor, sugar binding protein |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 2 |
Total formula weight | 70363.19 |
Authors | Durbin, J.D.,Guo, S.Y. (deposition date: 2023-10-05, release date: 2023-12-06, Last modification date: 2023-12-27) |
Primary citation | Durham, T.B.,Hao, J.,Spinazze, P.,Stack, D.R.,Toth, J.L.,Massey, S.,Mbofana, C.T.,Johnston, R.D.,Lineswala, J.P.,Wrobleski, A.,Minguez, J.M.,Perez, C.,Smith, D.L.,Lamar, J.,Leon, R.,Corkins, C.,Durbin, J.,Tung, F.,Guo, S.,Linder, R.J.,Yumibe, N.,Wang, W.,MacKrell, J.,Antonellis, M.,Mascaro, B. Identification of LY3522348: A Highly Selective and Orally Efficacious Ketohexokinase Inhibitor. J.Med.Chem., 66:15960-15976, 2023 Cited by PubMed: 37992274DOI: 10.1021/acs.jmedchem.3c01410 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.99 Å) |
Structure validation
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