4NJS

Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL008

Summary for 4NJS

Entry DOI	10.2210/pdb4njs/pdb
Related	4HLA 4I8W 4I8Z 4NJT 4NJU 4NJV
Descriptor	Protease, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate (3 entities in total)
Functional Keywords	multidrug-resistance, hiv-1 protease, non-peptidic inhibitor, protease inhibitor, darunavir analog, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	4
Total formula weight	44606.34
Authors	Yedidi, R.S.,Garimella, H.,Kaufman, J.D.,Das, D.,Wingfield, P.T.,Ghosh, A.K.,Mitsuya, H. (deposition date: 2013-11-11, release date: 2014-04-02, Last modification date: 2024-02-28)
Primary citation	Yedidi, R.S.,Garimella, H.,Aoki, M.,Aoki-Ogata, H.,Desai, D.V.,Chang, S.B.,Davis, D.A.,Fyvie, W.S.,Kaufman, J.D.,Smith, D.W.,Das, D.,Wingfield, P.T.,Maeda, K.,Ghosh, A.K.,Mitsuya, H. A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58:3679-3688, 2014 Cited by PubMed: 24752271 DOI: 10.1128/AAC.00107-14 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation