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: 29510037 DOI: 10.1021/acs.jmedchem.7b01570 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.35 Å)

Structure validation