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; PubMed: 37992274; DOI: 10.1021/acs.jmedchem.3c01410

Experimental method

X-RAY DIFFRACTION (1.99 Å)