6B5G
ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
Summary for 6B5G
Entry DOI | 10.2210/pdb6b5g/pdb |
Related | 6ALJ 6B5H 6B5I |
Descriptor | Retinal dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, ... (4 entities in total) |
Functional Keywords | retinoic acid signaling, male contraception, drug discovery, drug development, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 4 |
Total formula weight | 221058.19 |
Authors | Chen, Y.,Zhu, J.-Y.,Schonbrunn, E. (deposition date: 2017-09-29, release date: 2018-01-10, Last modification date: 2023-10-04) |
Primary citation | Chen, Y.,Zhu, J.Y.,Hong, K.H.,Mikles, D.C.,Georg, G.I.,Goldstein, A.S.,Amory, J.K.,Schonbrunn, E. Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors. ACS Chem. Biol., 13:582-590, 2018 Cited by PubMed: 29240402DOI: 10.1021/acschembio.7b00685 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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