3E01

HIV-RT with non-nucleoside inhibitor annulated pyrazole 2

Summary for 3E01

• Entry DOI: 10.2210/pdb3e01/pdb
• Related: 3DYA
• Descriptor: Gag-Pol polyprotein, 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile (3 entities in total)
• Functional Keywords: transferase
• Biological source: Human immunodeficiency virus type 1 (HIV-1); More
• 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): P04585 P04585
• Total number of polymer chains: 2
• Total formula weight: 116529.43

Authors

Harris, S.F.,Villasenor, A. (deposition date: 2008-07-30, release date: 2008-11-25, Last modification date: 2024-02-21)

• Primary citation: Sweeney, Z.K.,Harris, S.F.,Arora, S.F.,Javanbakht, H.,Li, Y.,Fretland, J.,Davidson, J.P.,Billedeau, J.R.,Gleason, S.K.,Hirschfeld, D.,Kennedy-Smith, J.J.,Mirzadegan, T.,Roetz, R.,Smith, M.,Sperry, S.,Suh, J.M.,Wu, J.,Tsing, S.,Villasenor, A.G.,Paul, A.,Su, G.,Heilek, G.,Hang, J.Q.,Zhou, A.S.,Jernelius, J.A.,Zhang, F.J.,Klumpp, K.; Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase; J.Med.Chem., 51:7449-7458, 2008; PubMed: 19007201; DOI: 10.1021/jm800527x

Experimental method

X-RAY DIFFRACTION (2.95 Å)