8DXJ
HIV-1 reverse transcriptase/rilpivirine with bound fragment 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine at the NNRTI adjacent site
Summary for 8DXJ
| Entry DOI | 10.2210/pdb8dxj/pdb |
| Descriptor | Reverse transcriptase/ribonuclease H, p51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... (9 entities in total) |
| Functional Keywords | hiv-1 reverse transcriptase, transferase |
| Biological source | Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1) More |
| Total number of polymer chains | 2 |
| Total formula weight | 115648.87 |
| Authors | Chopra, A.,Ruiz, F.X.,Bauman, J.D.,Arnold, E. (deposition date: 2022-08-02, release date: 2023-05-31, Last modification date: 2023-10-25) |
| Primary citation | Chopra, A.,Bauman, J.D.,Ruiz, F.X.,Arnold, E. Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66:6013-6024, 2023 Cited by PubMed: 37115705DOI: 10.1021/acs.jmedchem.2c01681 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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