7UE1

HIV-1 Integrase Catalytic Core Domain Mutant (KGD) in Complex with Inhibitor GRL-142

Summary for 7UE1

• Entry DOI: 10.2210/pdb7ue1/pdb
• Descriptor: Integrase, (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, SULFATE ION (3 entities in total)
• Functional Keywords: inhibitor, viral protein
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 37144.33

Authors

Aoki, M.,Aoki-Ogata, H.,Bulut, H.,Hayashi, H.,Davis, D.,Hasegawa, K.,Yarchoan, R.,Ghosh, A.K.,Pau, A.K.,Mitsuya, H. (deposition date: 2022-03-21, release date: 2023-03-22, Last modification date: 2024-04-24)

• Primary citation: Aoki, M.,Aoki-Ogata, H.,Bulut, H.,Hayashi, H.,Takamune, N.,Kishimoto, N.,Tanaka, H.,Higashi-Kuwata, N.,Hattori, S.I.,Das, D.,Venkateswara Rao, K.,Iwama, K.,Davis, D.A.,Hasegawa, K.,Murayama, K.,Yarchoan, R.,Ghosh, A.K.,Pau, A.K.,Machida, S.,Misumi, S.,Mitsuya, H.; GRL-142 binds to and impairs HIV-1 integrase nuclear localization signal and potently suppresses highly INSTI-resistant HIV-1 variants.; Sci Adv, 9:eadg2955-eadg2955, 2023; PubMed: 37436982; DOI: 10.1126/sciadv.adg2955

Experimental method

X-RAY DIFFRACTION (3 Å)