9E6U

Crystal structure of human Taspase1 in complex with ligand SMDC1041556

Summary for 9E6U

• Entry DOI: 10.2210/pdb9e6u/pdb
• Descriptor: Threonine aspartase 1, SODIUM ION, (2R)-4-(ethenylsulfonyl)-1-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-2-{[(1H-1,2,3-triazol-4-yl)methoxy]methyl}piperazine (3 entities in total)
• Functional Keywords: hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 84655.41

Authors

Doamekpor, S.K.,Hamilton, K.,Choi, P.H.,Tong, L. (deposition date: 2024-10-31, release date: 2025-11-05)

• Primary citation: Doamekpor, S.K.,Hamilton, K.,Choi, P.H.,Tong, L.,Delker, S.,Waterson, A.,Neitz, J.,Sambucetti, L.,Arkin, M.; Design and mechanism of potent inhibitors for the Mixed Lineage Leukemia (MLL) activating protease, Taspase-1; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.488 Å)