7D83
Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-(2-(3-cyclohexylureido)-3,6-dimethyl-5-(5-methylchroman-6-yl)pyridin-4-yl)acetic acid
Summary for 7D83
Entry DOI | 10.2210/pdb7d83/pdb |
Descriptor | Integrase, SULFATE ION, (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, ... (4 entities in total) |
Functional Keywords | hiv-1 integrase, viral protein |
Biological source | Human immunodeficiency virus type 1 group M subtype B (isolate NY5) (HIV-1) |
Total number of polymer chains | 1 |
Total formula weight | 19246.58 |
Authors | Sugiyama, S.,Sekiguchi, Y. (deposition date: 2020-10-07, release date: 2021-01-13, Last modification date: 2023-11-29) |
Primary citation | Sugiyama, S.,Akiyama, T.,Taoda, Y.,Iwaki, T.,Matsuoka, E.,Akihisa, E.,Seki, T.,Yoshinaga, T.,Kawasuji, T. Discovery of novel HIV-1 integrase-LEDGF/p75 allosteric inhibitors based on a pyridine scaffold forming an intramolecular hydrogen bond. Bioorg.Med.Chem.Lett., 33:127742-127742, 2020 Cited by PubMed: 33316407DOI: 10.1016/j.bmcl.2020.127742 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.43 Å) |
Structure validation
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