4COD
Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA
Summary for 4COD
Entry DOI | 10.2210/pdb4cod/pdb |
Descriptor | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-((3R,5S)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... (4 entities in total) |
Functional Keywords | transferase, elt, encoded library technology, isoniazid, l-proline |
Biological source | MYCOBACTERIUM TUBERCULOSIS |
Total number of polymer chains | 4 |
Total formula weight | 118622.79 |
Authors | Encinas, L.,OKeefe, H.,Neu, M.,Convery, M.A.,McDowell, W.,Mendoza-Losana, A.,Pages, L.B.,Castro-Pichel, J.,Evindar, G. (deposition date: 2014-01-28, release date: 2014-02-12, Last modification date: 2023-12-20) |
Primary citation | Encinas, L.,O'Keefe, H.,Neu, M.,Remuinan, M.J.,Patel, A.M.,Guardia, A.,Davie, C.P.,Perez-Macias, N.,Yang, H.,Convery, M.A.,Messer, J.A.,Perez-Herran, E.,Centrella, P.A.,Alvarez-Gomez, D.,Clark, M.A.,Huss, S.,O'Donovan, G.K.,Ortega-Muro, F.,Mcdowell, W.,Castaneda, P.,Arico-Muendel, C.C.,Pajk, S.,Rullas, J.,Angulo-Barturen, I.,Alvarez-Ruiz, E.,Mendoza-Losana, A.,Pages, L.B.,Castro-Pichel, J.,Evindar, G. Encoded Library Technology as a Source of Hits for the Discovery and Lead Optimization of a Potent and Selective Class of Bactericidal Direct Inhibitors of Mycobacterium Tuberculosis Inha. J.Med.Chem., 57:1276-, 2014 Cited by PubMed: 24450589DOI: 10.1021/JM401326J PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
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