6TE1

Structure of the KDM1A/CoREST complex with the inhibitor 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol

Summary for 6TE1

• Entry DOI: 10.2210/pdb6te1/pdb
• Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, 5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole, ... (6 entities in total)
• Functional Keywords: histone demethylase, inhibitor, complex, oxidoreductase
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 148312.70

Authors

Pasqualato, S.,Cecatiello, V. (deposition date: 2019-11-11, release date: 2020-06-03, Last modification date: 2024-01-24)

• Primary citation: Romussi, A.,Cappa, A.,Vianello, P.,Brambillasca, S.,Cera, M.R.,Dal Zuffo, R.,Faga, G.,Fattori, R.,Moretti, L.,Trifiro, P.,Villa, M.,Vultaggio, S.,Cecatiello, V.,Pasqualato, S.,Dondio, G.,So, C.W.E.,Minucci, S.,Sartori, L.,Varasi, M.,Mercurio, C.; Discovery of Reversible Inhibitors of KDM1A Efficacious in Acute Myeloid Leukemia Models.; Acs Med.Chem.Lett., 11:754-759, 2020; PubMed: 32435381; DOI: 10.1021/acsmedchemlett.9b00604

Experimental method

X-RAY DIFFRACTION (3.11 Å)