8FCE

HIV-1 Reverse Transcriptase in complex with 7-membered bicyclic core NNRTI

Summary for 8FCE

Entry DOI	10.2210/pdb8fce/pdb
Descriptor	p66 RT, p51 RT, 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile, ... (5 entities in total)
Functional Keywords	hiv-1, reverse transcriptase, inhibitor, antiviral, viral protein
Biological source	HIV whole-genome vector AA1305#18 More
Total number of polymer chains	2
Total formula weight	116547.56
Authors	Lansdon, E.B. (deposition date: 2022-12-01, release date: 2023-02-01, Last modification date: 2023-02-22)
Primary citation	Prener, L.,Baszczynski, O.,Kaiser, M.M.,Dracinsky, M.,Stepan, G.,Lee, Y.J.,Brumshtein, B.,Yu, H.,Jansa, P.,Lansdon, E.B.,Janeba, Z. Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties. J.Med.Chem., 66:1761-1777, 2023 Cited by PubMed: 36652602 DOI: 10.1021/acs.jmedchem.2c01574 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.77 Å)

Structure validation