2XWY
Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the Hepatitis C Virus NS5B Polymerase
Summary for 2XWY
Entry DOI | 10.2210/pdb2xwy/pdb |
Related | 1A1Q 1BT7 1C2P 1CSJ 1CU1 1GX5 1GX6 1JXP 1NHU 1NHV 1NS3 1OS5 1QUV 2AWZ 2AX0 2AX1 2BRK 2BRL 2I1R 2JC0 2JC1 2WCX 2WHO 8OHM |
Descriptor | RNA-DIRECTED RNA POLYMERASE, (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, MANGANESE (II) ION, ... (4 entities in total) |
Functional Keywords | transferase, allosteric inhibitor, nucleotidyltransferase |
Biological source | HEPATITIS C VIRUS |
Total number of polymer chains | 1 |
Total formula weight | 60358.21 |
Authors | Di Marco, S.,Baiocco, P. (deposition date: 2010-11-06, release date: 2010-12-22, Last modification date: 2023-12-20) |
Primary citation | Narjes, F.,Crescenzi, B.,Ferrara, M.,Habermann, J.,Colarusso, S.,Del Rosario Rico Ferreira, M.,Stansfield, I.,Mackay, A.C.,Conte, I.,Ercolani, C.,Zaramella, S.,Palumbi, M.C.,Meuleman, P.,Leroux-Roels, G.,Giuliano, C.,Fiore, F.,Di Marco, S.,Baiocco, P.,Koch, U.,Migliaccio, G.,Altamura, S.,Laufer, R.,De Francesco, R.,Rowley, M. Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase J.Med.Chem., 54:289-, 2011 Cited by PubMed: 21141896DOI: 10.1021/JM1013105 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.53 Å) |
Structure validation
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