5TYR

X-ray crystal structure of wild type HIV-1 protease in complex with GRL-121

Summary for 5TYR

• Entry DOI: 10.2210/pdb5tyr/pdb
• Related: 4HLA 5TYS
• Descriptor: Protease, (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]-3-hydroxy-1-phenylbutan-2-yl}carbamate (3 entities in total)
• Functional Keywords: grl-121, hiv-1 protease, protease-inhibitor, darunavir, pyran, furan, nonpeptidic, hydrolase-hydrolase inhibitor complex, aids, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22278.35

Authors

Yedidi, R.S.,Hayashi, H.,Aoki, M.,Das, D.,Ghosh, A.K.,Mitsuya, H. (deposition date: 2016-11-21, release date: 2017-10-18, Last modification date: 2023-10-04)

• Primary citation: Aoki, M.,Hayashi, H.,Rao, K.V.,Das, D.,Higashi-Kuwata, N.,Bulut, H.,Aoki-Ogata, H.,Takamatsu, Y.,Yedidi, R.S.,Davis, D.A.,Hattori, S.I.,Nishida, N.,Hasegawa, K.,Takamune, N.,Nyalapatla, P.R.,Osswald, H.L.,Jono, H.,Saito, H.,Yarchoan, R.,Misumi, S.,Ghosh, A.K.,Mitsuya, H.; A novel central nervous system-penetrating protease inhibitor overcomes human immunodeficiency virus 1 resistance with unprecedented aM to pM potency.; Elife, 6:-, 2017; PubMed: 29039736; DOI: 10.7554/eLife.28020

Experimental method

X-RAY DIFFRACTION (1.8 Å)