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: 33316407 DOI: 10.1016/j.bmcl.2020.127742 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.43 Å)

Structure validation