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5KAO

Crystal structure of wild type HIV-1 protease in complex with GRL-10413

Summary for 5KAO
Entry DOI10.2210/pdb5kao/pdb
Related4HLA
Descriptorprotease, [(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate (3 entities in total)
Functional Keywordsgrl-10413, hiv-1 protease, protease-inhibitor, darunavir, 2-chloroanisole, nonpeptidic, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHuman immunodeficiency virus 1
Total number of polymer chains2
Total formula weight22078.34
Authors
Yedidi, R.S.,Delino, N.S.,Das, D.,Kaufman, J.D.,Wingfield, P.T.,Ghosh, A.K.,Mitsuya, H. (deposition date: 2016-06-01, release date: 2016-08-31, Last modification date: 2023-09-27)
Primary citationAmano, M.,Salcedo-Gomez, P.M.,Zhao, R.,Yedidi, R.S.,Das, D.,Bulut, H.,Delino, N.S.,Sheri, V.R.,Ghosh, A.K.,Mitsuya, H.
A Modified P1 Moiety Enhances In Vitro Antiviral Activity against Various Multidrug-Resistant HIV-1 Variants and In Vitro Central Nervous System Penetration Properties of a Novel Nonpeptidic Protease Inhibitor, GRL-10413.
Antimicrob.Agents Chemother., 60:7046-7059, 2016
Cited by
PubMed: 27620483
DOI: 10.1128/AAC.01428-16
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.8 Å)
Structure validation

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