5NR7
Mtb TMK crystal structure in complex with compound 43
Summary for 5NR7
Entry DOI | 10.2210/pdb5nr7/pdb |
Descriptor | Thymidylate kinase, 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione, CHLORIDE ION, ... (4 entities in total) |
Functional Keywords | thymidylate kinase, nucleotide binding, inhibitor, transferase |
Biological source | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
Total number of polymer chains | 2 |
Total formula weight | 46349.87 |
Authors | Merceron, R.,Song, L.,Munier-Lehmann, H.,Van Calenbergh, S.,Savvides, S. (deposition date: 2017-04-22, 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 (2.35 Å) |
Structure validation
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