3G5M

Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory activity

Summary for 3G5M

Entry DOI	10.2210/pdb3g5m/pdb
Descriptor	Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, 6-methoxy-9-methyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one, ... (5 entities in total)
Functional Keywords	casimiroin, qr2, nq02, cytoplasm, fad, flavoprotein, metal-binding, oxidoreductase, phosphoprotein, polymorphism, zinc
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P16083
Total number of polymer chains	2
Total formula weight	54595.86
Authors	Maiti, A.,Sturdy, M.,Marler, L.,Pegan, S.D.,Mesecar, A.D.,Pezzuto, J.M.,Cushman, M. (deposition date: 2009-02-05, release date: 2009-03-24, Last modification date: 2023-09-06)
Primary citation	Maiti, A.,Reddy, P.V.,Sturdy, M.,Marler, L.,Pegan, S.D.,Mesecar, A.D.,Pezzuto, J.M.,Cushman, M. Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J.Med.Chem., 52:1873-1884, 2009 Cited by PubMed: 19265439 DOI: 10.1021/jm801335z PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.84 Å)

Structure validation