8UG3

Crystal structure of KHK-C and compound 23

Summary for 8UG3

Entry DOI	10.2210/pdb8ug3/pdb
Related	8UG1
Descriptor	Ketohexokinase, 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one, 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	70229.09
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: 37992274 DOI: 10.1021/acs.jmedchem.3c01410 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.02 Å)

Structure validation