8PFO

Crystal structure of WRN helicase domain in complex with HRO761

Summary for 8PFO

• Entry DOI: 10.2210/pdb8pfo/pdb
• Descriptor: Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION, ~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide, ... (4 entities in total)
• Functional Keywords: inhibitor, complex, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 49393.51

Authors

Scheufler, C.,Meyer, M.,Moebitz, H. (deposition date: 2023-06-16, release date: 2024-04-24, Last modification date: 2024-05-22)

• Primary citation: Ferretti, S.,Hamon, J.,de Kanter, R.,Scheufler, C.,Andraos-Rey, R.,Barbe, S.,Bechter, E.,Blank, J.,Bordas, V.,Dammassa, E.,Decker, A.,Di Nanni, N.,Dourdoigne, M.,Gavioli, E.,Hattenberger, M.,Heuser, A.,Hemmerlin, C.,Hinrichs, J.,Kerr, G.,Laborde, L.,Jaco, I.,Nunez, E.J.,Martus, H.J.,Quadt, C.,Reschke, M.,Romanet, V.,Schaeffer, F.,Schoepfer, J.,Schrapp, M.,Strang, R.,Voshol, H.,Wartmann, M.,Welly, S.,Zecri, F.,Hofmann, F.,Mobitz, H.,Cortes-Cros, M.; Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers.; Nature, 629:443-449, 2024; PubMed: 38658754; DOI: 10.1038/s41586-024-07350-y

Experimental method

X-RAY DIFFRACTION (1.9 Å)