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: 2024-09-04) |
Primary citation | Heine, N.,Weber, A.,Pautsch, A.,Gottschling, D.,Uphues, I.,Bauer, M.,Ebenhoch, R.,Magarkar, A.,Nosse, B.,Kley, J.T. Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability. Bioorg.Med.Chem.Lett., 112:129930-129930, 2024 Cited by PubMed: 39179180DOI: 10.1016/j.bmcl.2024.129930 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.978 Å) |
Structure validation
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