6C8Y

D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir

Summary for 6C8Y

Entry DOI	10.2210/pdb6c8y/pdb
Descriptor	Protease, CHLORIDE ION, [4-[[(2~{R},3~{S})-3-[[(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl]-(2-methylpropyl)sulfamoyl]phenyl]-oxidanyl-oxidanylidene-boron, ... (5 entities in total)
Functional Keywords	hiv, protease, boronic acid, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	2
Total formula weight	22253.29
Authors	Windsor, I.W.,Raines, R.T.,Forest, K.T. (deposition date: 2018-01-25, release date: 2018-12-05, Last modification date: 2023-10-04)
Primary citation	Windsor, I.W.,Palte, M.J.,Lukesh 3rd., J.C.,Gold, B.,Forest, K.T.,Raines, R.T. Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid. J. Am. Chem. Soc., 140:14015-14018, 2018 Cited by PubMed: 30346745 DOI: 10.1021/jacs.8b07366 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.942 Å)

Structure validation