4CJE
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Summary for 4CJE
Entry DOI | 10.2210/pdb4cje/pdb |
Related | 4CJ3 4CJ4 4CJ5 4CJF |
Descriptor | INTEGRASE, SULFATE ION, 5-[(2S)-2-[[2-(1H-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid, ... (6 entities in total) |
Functional Keywords | transferase, structure based drug design |
Biological source | HUMAN IMMUNODEFICIENCY VIRUS 1 |
Total number of polymer chains | 2 |
Total formula weight | 41570.53 |
Authors | Peat, T.S. (deposition date: 2013-12-19, release date: 2014-01-08, Last modification date: 2023-12-20) |
Primary citation | Peat, T.S.,Dolezal, O.,Newman, J.,Mobley, D.,Deadman, J.J. Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28:347-, 2014 Cited by PubMed: 24532034DOI: 10.1007/S10822-014-9721-7 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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