3E01

HIV-RT with non-nucleoside inhibitor annulated pyrazole 2

Summary for 3E01
Related3DYA
DescriptorGag-Pol polyprotein, 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile (3 entities in total)
Functional Keywordstransferase
Biological sourceHuman immunodeficiency virus type 1 (HIV-1)
More
Cellular locationMatrix 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 chains2
Total formula weight116529.43
Authors
Harris, S.F.,Villasenor, A. (deposition date: 2008-07-30, release date: 2008-11-25, Last modification date: 2011-07-13)
Primary citationArora, S.F.,Billedeau, J.R.,Davidson, J.P.,Fretland, J.,Gleason, S.K.,Hang, J.Q.,Harris, S.F.,Heilek, G.,Hirschfeld, D.,Javanbakht, H.,Jernelius, J.A.,Kennedy-Smith, J.J.,Klumpp, K.,Li, Y.,Mirzadegan, T.,Paul, A.,Roetz, R.,Smith, M.,Sperry, S.,Su, G.,Suh, J.M.,Sweeney, Z.K.,Tsing, S.,Villasenor, A.G.,Wu, J.,Zhang, F.J.,Zhou, A.S.
Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51:7449-7458, 2008
PubMed: 19007201
DOI: 110.1021/jm800527x
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.95 Å)
Structure validation
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PDB entries from 2021-06-16