7JWU

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

Summary for 7JWU

Entry DOI	10.2210/pdb7jwu/pdb
Descriptor	Retinal dehydrogenase 1, YTTERBIUM (III) ION, CHLORIDE ION, ... (6 entities in total)
Functional Keywords	rossmann fold, cytosolic protein
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	56341.44
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 (1.9 Å)

Structure validation