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: 35707159 DOI: 10.1021/acsmedchemlett.2c00115 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8867 Å)

Structure validation