5LHI

Structure of the KDM1A/CoREST complex with the inhibitor N-[3-(ethoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

Summary for 5LHI

• Entry DOI: 10.2210/pdb5lhi/pdb
• Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, REST corepressor 1, FLAVIN-ADENINE DINUCLEOTIDE, ... (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: 147602.81

Authors

Cecatiello, V.,Pasqualato, S. (deposition date: 2016-07-12, release date: 2017-02-22, Last modification date: 2024-01-10)

• Primary citation: Vianello, P.,Sartori, L.,Amigoni, F.,Cappa, A.,Faga, G.,Fattori, R.,Legnaghi, E.,Ciossani, G.,Mattevi, A.,Meroni, G.,Moretti, L.,Cecatiello, V.,Pasqualato, S.,Romussi, A.,Thaler, F.,Trifiro, P.,Villa, M.,Botrugno, O.A.,Dessanti, P.,Minucci, S.,Vultaggio, S.,Zagarri, E.,Varasi, M.,Mercurio, C.; Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.; J. Med. Chem., 60:1693-1715, 2017; PubMed: 28186757; DOI: 10.1021/acs.jmedchem.6b01019

Experimental method

X-RAY DIFFRACTION (3.4 Å)