5IVS

Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-benzhydryl-2-[2-[2-[(2R,5S)-5-(benzylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]-2-oxo-ethyl]carbamate

Summary for 5IVS

• Entry DOI: 10.2210/pdb5ivs/pdb
• Related: 5IVQ 5IVR 5IVT
• Descriptor: Protease, CHLORIDE ION, N-(2-{2-[(2R,5S)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, ... (4 entities in total)
• Functional Keywords: hiv, protease, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22418.68

Authors

Su, H.P. (deposition date: 2016-03-21, release date: 2016-05-18, Last modification date: 2024-03-06)

• Primary citation: Bungard, C.J.,Williams, P.D.,Ballard, J.E.,Bennett, D.J.,Beaulieu, C.,Bahnck-Teets, C.,Carroll, S.S.,Chang, R.K.,Dubost, D.C.,Fay, J.F.,Diamond, T.L.,Greshock, T.J.,Hao, L.,Holloway, M.K.,Felock, P.J.,Gesell, J.J.,Su, H.P.,Manikowski, J.J.,McKay, D.J.,Miller, M.,Min, X.,Molinaro, C.,Moradei, O.M.,Nantermet, P.G.,Nadeau, C.,Sanchez, R.I.,Satyanarayana, T.,Shipe, W.D.,Singh, S.K.,Truong, V.L.,Vijayasaradhi, S.,Wiscount, C.M.,Vacca, J.P.,Crane, S.N.,McCauley, J.A.; Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.; Acs Med.Chem.Lett., 7:702-707, 2016; PubMed: 27437081; DOI: 10.1021/acsmedchemlett.6b00135

Experimental method

X-RAY DIFFRACTION (1.46 Å)