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1S9E

CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R129385

Summary for 1S9E
Entry DOI10.2210/pdb1s9e/pdb
Related1DLO 1HNI 1HNV 1S6P 1S6Q 1S9E 1TVR 2HMI
DescriptorPOL polyprotein [Contains:Reverse transcriptase], POL polyprotein [Contains: Reverse transcriptase], 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, ... (4 entities in total)
Functional Keywordsreverse transcriptase, rt, nnrti, nonnucleoside inhibitor, protein-inhibitor complex, hiv, aids, drug design, r129385, transferase
Biological sourceHuman immunodeficiency virus 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): P03366 P03366
Total number of polymer chains2
Total formula weight115155.92
Authors
Das, K.,Clark Jr., A.D.,Ludovici, D.W.,Kukla, M.J.,Decorte, B.,Lewi, P.J.,Hughes, S.H.,Janssen, P.A.,Arnold, E. (deposition date: 2004-02-04, release date: 2004-05-11, Last modification date: 2024-02-14)
Primary citationDas, K.,Clark, A.D.,Lewi, P.J.,Heeres, J.,De Jonge, M.R.,Koymans, L.M.,Vinkers, H.M.,Daeyaert, F.,Ludovici, D.W.,Kukla, M.J.,De Corte, B.,Kavash, R.W.,Ho, C.Y.,Ye, H.,Lichtenstein, M.A.,Andries, K.,Pauwels, R.,Boyer, P.L.,Clark, P.,Hughes, S.H.,Janssen, P.A.,Arnold, E.
Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47:2550-2560, 2004
Cited by
PubMed: 15115397
DOI: 10.1021/jm030558s
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.6 Å)
Structure validation

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