6D4W

M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637)

Summary for 6D4W

Entry DOI	10.2210/pdb6d4w/pdb
Descriptor	Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, INOSINIC ACID, 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, ... (4 entities in total)
Functional Keywords	complex, fragment, impdh, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Mycobacterium thermoresistibile More
Total number of polymer chains	1
Total formula weight	40616.15
Authors	Ascher, D.B.,Pacitto, A.,Blundell, T.L. (deposition date: 2018-04-18, release date: 2019-05-01, Last modification date: 2023-10-04)
Primary citation	Singh, V.,Pacitto, A.,Donini, S.,Ferraris, D.M.,Boros, S.,Illyes, E.,Szokol, B.,Rizzi, M.,Blundell, T.L.,Ascher, D.B.,Pato, J.,Mizrahi, V. Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174:309-329, 2019 Cited by PubMed: 31055147 DOI: 10.1016/j.ejmech.2019.04.027 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation