7JWV

Crystal structure of human ALDH1A1 bound to compound (R)-28

Summary for 7JWV

Entry DOI	10.2210/pdb7jwv/pdb
Descriptor	Retinal dehydrogenase 1, YTTERBIUM (III) ION, 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, ... (5 entities in total)
Functional Keywords	rossmann fold, cytosolic protein
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	55498.56
Authors	Hurley, T.D.,Buchman, C. (deposition date: 2020-08-26, release date: 2020-12-30, Last modification date: 2023-10-18)
Primary citation	Huddle, B.C.,Grimley, E.,Chtcherbinine, M.,Buchman, C.D.,Takahashi, C.,Debnath, B.,McGonigal, S.C.,Mao, S.,Li, S.,Felton, J.,Pan, S.,Wen, B.,Sun, D.,Neamati, N.,Buckanovich, R.J.,Hurley, T.D.,Larsen, S.D. Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211:113060-113060, 2020 Cited by PubMed: 33341649 DOI: 10.1016/j.ejmech.2020.113060 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation