6B5H
ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Summary for 6B5H
Entry DOI | 10.2210/pdb6b5h/pdb |
Related | 6ALJ 6B5G 6B5I |
Descriptor | Retinal dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, ... (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 | 221178.03 |
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 (2.3 Å) |
Structure validation
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