7T9O

HIV Integrase in complex with Compound-25

Summary for 7T9O

• Entry DOI: 10.2210/pdb7t9o/pdb
• Descriptor: Integrase, SULFATE ION, (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid, ... (5 entities in total)
• Functional Keywords: dna integration, aids, rnaseh, ledgf, endonuclease, hiv-1 integrase, dna binding protein, viral protein
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 1
• Total formula weight: 20628.27

Authors

Khan, J.A.,Lewis, H.,Kish, K. (deposition date: 2021-12-19, release date: 2022-04-06, Last modification date: 2023-10-18)

• Primary citation: Naidu, B.N.,Patel, M.,McAuliffe, B.,Ding, B.,Cianci, C.,Simmermacher, J.,Jenkins, S.,Parker, D.D.,Sivaprakasam, P.,Khan, J.A.,Kish, K.,Lewis, H.,Hanumegowda, U.,Krystal, M.,Meanwell, N.A.,Kadow, J.F.; Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs.; J.Med.Chem., 65:4949-4971, 2022; PubMed: 35235334; DOI: 10.1021/acs.jmedchem.1c02169

Experimental method

X-RAY DIFFRACTION (1.95 Å)