8OMJ

hKHK-C in complex with compound 28

Summary for 8OMJ

• Entry DOI: 10.2210/pdb8omj/pdb
• Descriptor: Ketohexokinase, [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid, SULFATE ION, ... (4 entities in total)
• Functional Keywords: khk, ketohexokinase, sugar binding kinase, inhibitor complex, sugar binding protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 69400.30

Authors

Pautsch, A.,Ebenhoch, R. (deposition date: 2023-03-31, release date: 2024-07-10, Last modification date: 2024-07-31)

• Primary citation: Heine, N.,Weber, A.,Pautsch, A.,Gottschling, D.,Upheus, I.,Bauer, M.,Ebenhoch, R.,Nosse, B.,Kley, J.; Discovery of BI-9787, a Potent Zwitterionic KHK-Inhibitor with Oral Bioavailability; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.978 Å)