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 Cited by PubMed: 35605346DOI: 10.1016/j.bmc.2022.116833 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.839 Å) |
Structure validation
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