5NQ5
Mtb TMK crystal structure in complex with compound 1
Summary for 5NQ5
| Entry DOI | 10.2210/pdb5nq5/pdb |
| Descriptor | Thymidylate kinase, 5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione (2 entities in total) |
| Functional Keywords | thymidylate kinase, nucleotide binding, inhibitor, transferase |
| Biological source | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
| Total number of polymer chains | 1 |
| Total formula weight | 23053.99 |
| Authors | Merceron, R.,Song, L.,Munier-Lehmann, H.,Van Calenbergh, S.,Savvides, S. (deposition date: 2017-04-19, release date: 2018-03-21, Last modification date: 2024-01-17) |
| Primary citation | Song, L.,Merceron, R.,Gracia, B.,Quintana, A.L.,Risseeuw, M.D.P.,Hulpia, F.,Cos, P.,Ainsa, J.A.,Munier-Lehmann, H.,Savvides, S.N.,Van Calenbergh, S. Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors. J. Med. Chem., 61:2753-2775, 2018 Cited by PubMed: 29510037DOI: 10.1021/acs.jmedchem.7b01570 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.85 Å) |
Structure validation
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