7U2U

CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH Compound-2a AKA (2S)-2-(TERT-BUTOXY)-2-[7-(4,4-DIMETHYLPIPE RIDIN-1-YL)-8-{4-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}-2,5-DIM ETHYLIMIDAZO[1,2-A]PYRIDIN-6-YL]ACETIC ACID

Summary for 7U2U

• Entry DOI: 10.2210/pdb7u2u/pdb
• Descriptor: Integrase, (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid, SULFATE ION, ... (4 entities in total)
• Functional Keywords: integrase, dna binding protein, viral protein
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 1
• Total formula weight: 20575.21

Authors

Khan, J.A.,lewis, H.,Kish, K. (deposition date: 2022-02-24, release date: 2022-06-08, Last modification date: 2023-10-18)

• Primary citation: Parcella, K.,Patel, M.,Tu, Y.,Eastman, K.,Peese, K.,Gillis, E.,Belema, M.,Dicker, I.B.,McAuliffe, B.,Ding, B.,Falk, P.,Simmermacher, J.,Parker, D.D.,Sivaprakasam, P.,Khan, J.A.,Kish, K.,Lewis, H.,Hanumegowda, U.,Jenkins, S.,Kadow, J.F.,Krystal, M.,Meanwell, N.A.,Naidu, B.N.; Scaffold modifications to the 4-(4,4-dimethylpiperidinyl) 2,6-dimethylpyridinyl class of HIV-1 allosteric integrase inhibitors.; Bioorg.Med.Chem., 67:116833-116833, 2022; PubMed: 35605346; DOI: 10.1016/j.bmc.2022.116833

Experimental method

X-RAY DIFFRACTION (1.839 Å)