6B3H

Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide

Summary for 6B3H

• Entry DOI: 10.2210/pdb6b3h/pdb
• Descriptor: HIV-1 Protease, N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: hiv, protease, viral protein, viral protein-inhibitor complex, viral protein/inhibitor
• Biological source: Human immunodeficiency virus 1 (HIV-1)
• Cellular location: Gag-Pol polyprotein: Host cell membrane; Lipid-anchor. Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P04587
• Total number of polymer chains: 2
• Total formula weight: 22894.74

Authors

Su, H.P. (deposition date: 2017-09-21, release date: 2018-01-03, Last modification date: 2024-03-13)

• Primary citation: Bungard, C.J.,Williams, P.D.,Schulz, J.,Wiscount, C.M.,Holloway, M.K.,Loughran, H.M.,Manikowski, J.J.,Su, H.P.,Bennett, D.J.,Chang, L.,Chu, X.J.,Crespo, A.,Dwyer, M.P.,Keertikar, K.,Morriello, G.J.,Stamford, A.W.,Waddell, S.T.,Zhong, B.,Hu, B.,Ji, T.,Diamond, T.L.,Bahnck-Teets, C.,Carroll, S.S.,Fay, J.F.,Min, X.,Morris, W.,Ballard, J.E.,Miller, M.D.,McCauley, J.A.; Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.; ACS Med Chem Lett, 8:1292-1297, 2017; PubMed: 29259750; DOI: 10.1021/acsmedchemlett.7b00386

Experimental method

X-RAY DIFFRACTION (1.62 Å)