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

[(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

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.

PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEIAGHKAIGTVLVGPT
PVNIIGRNLLTQIGATLNF

0.1 M citric acid buffer at pH 5.0 with ammonium sulfate as precipitant

National Institutes of Health/National Cancer Institute (NIH/NCI)

National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)

Wild type HIV-1 protease in complex with darunavir

GRL-10413, HIV-1 PROTEASE, PROTEASE-INHIBITOR, DARUNAVIR, 2-CHLOROANISOLE, NONPEPTIDIC, HYDROLASE-HYDROLASE INHIBITOR COMPLEX

PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPT
PVNIIGRNLLTQIGCTLNF