4NYF

HIV integrase in complex with inhibitor

Summary for 4NYF

• Entry DOI: 10.2210/pdb4nyf/pdb
• Descriptor: Integrase, (2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid, CADMIUM ION, ... (4 entities in total)
• Functional Keywords: allosteric inhibitor, ncini, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Human immunodeficiency virus type 1
• Cellular location: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P0C6F2
• Total number of polymer chains: 2
• Total formula weight: 37178.85

Authors

Coulombe, R.,Fader, L. (deposition date: 2013-12-10, release date: 2014-06-25, Last modification date: 2023-09-20)

• Primary citation: Fader, L.D.,Malenfant, E.,Parisien, M.,Carson, R.,Bilodeau, F.,Landry, S.,Pesant, M.,Brochu, C.,Morin, S.,Chabot, C.,Halmos, T.,Bousquet, Y.,Bailey, M.D.,Kawai, S.H.,Coulombe, R.,LaPlante, S.,Jakalian, A.,Bhardwaj, P.K.,Wernic, D.,Schroeder, P.,Amad, M.,Edwards, P.,Garneau, M.,Duan, J.,Cordingley, M.,Bethell, R.,Mason, S.W.,Bos, M.,Bonneau, P.,Poupart, M.A.,Faucher, A.M.,Simoneau, B.,Fenwick, C.,Yoakim, C.,Tsantrizos, Y.; Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1.; ACS Med Chem Lett, 5:422-427, 2014; PubMed: 24900852; DOI: 10.1021/ml500002n

Experimental method

X-RAY DIFFRACTION (1.9 Å)