3LAM

Crystal structure of HIV-1 reverse transcriptase in complex with N1-propyl pyrimidinedione non-nucleoside inhibitor

Summary for 3LAM

• Entry DOI: 10.2210/pdb3lam/pdb
• Related: 3LAK 3LAL 3LAN
• Descriptor: HIV Reverse transcriptase, 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile, SULFATE ION, ... (4 entities in total)
• Functional Keywords: hiv, rt, nnrti, transferase
• Biological source: Human immunodeficiency virus type 1 (HIV-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): P04585
• Total number of polymer chains: 2
• Total formula weight: 129945.60

Authors

Lansdon, E.B.,Mitchell, M.L. (deposition date: 2010-01-06, release date: 2010-02-23, Last modification date: 2023-09-06)

Primary citation

Mitchell, M.L.,Son, J.C.,Guo, H.,Im, Y.A.,Cho, E.J.,Wang, J.,Hayes, J.,Wang, M.,Paul, A.,Lansdon, E.B.,Chen, J.M.,Graupe, D.,Rhodes, G.,He, G.X.,Geleziunas, R.,Xu, L.,Kim, C.U.
N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20:1589-1592, 2010

PubMed Abstract: A series of N1-alkyl pyrimidinediones were designed, synthesized and evaluated as HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs). Our efforts identified compound 10b, which represents the lead compound in this series with pharmacokinetics and antiviral potency that may support once-daily dosing.

PubMed: 20138513
DOI: 10.1016/j.bmcl.2010.01.085

Experimental method

X-RAY DIFFRACTION (2.76 Å)