7UOQ
CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH (2S)-2-(TERT-BUTOXY)-2-(5-{2-[(2-CHLORO-6-M ETHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL}-4- (4,4-DIMETHYLPIPERIDIN-1-YL)-2-METHYLPYRIDIN-3-YL)ACETIC ACID
Summary for 7UOQ
Entry DOI | 10.2210/pdb7uoq/pdb |
Descriptor | Integrase, (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid, SULFATE ION, ... (4 entities in total) |
Functional Keywords | integrase, transferase, hydrolase |
Biological source | Human immunodeficiency virus 1 |
Total number of polymer chains | 1 |
Total formula weight | 20577.68 |
Authors | Lewis, H.A.,Muckelbauer, J.K. (deposition date: 2022-04-13, release date: 2022-07-06, Last modification date: 2024-02-14) |
Primary citation | Parcella, K.,Wang, T.,Eastman, K.,Zhang, Z.,Yin, Z.,Patel, M.,Tu, Y.,Zheng, B.Z.,Walker, M.A.,Saulnier, M.G.,Frennesson, D.,Bowsher, M.,Gillis, E.,Peese, K.,Belema, M.,Cianci, C.,Dicker, I.B.,McAuliffe, B.,Ding, B.,Falk, P.,Simmermacher, J.,Parker, D.D.,Sivaprakasam, P.,Kish, K.,Lewis, H.,Hanumegowda, U.,Jenkins, S.,Kadow, J.F.,Krystal, M.,Meanwell, N.A.,Naidu, B.N. Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor. Acs Med.Chem.Lett., 13:972-980, 2022 Cited by PubMed: 35707159DOI: 10.1021/acsmedchemlett.2c00115 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8867 Å) |
Structure validation
Download full validation report