6YE2

Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A1202 (compound 4a in publication) in the closed form (crystal form IV)

Summary for 6YE2

• Entry DOI: 10.2210/pdb6ye2/pdb
• Descriptor: 5'-nucleotidase, ZINC ION, [(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid, ... (5 entities in total)
• Functional Keywords: competitive nucleotide inhibitor, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 119790.22

Authors

Scaletti, E.,Strater, N. (deposition date: 2020-03-23, release date: 2021-01-20, Last modification date: 2024-01-24)

• Primary citation: Sharif, E.U.,Kalisiak, J.,Lawson, K.V.,Miles, D.H.,Newcomb, E.,Lindsey, E.A.,Rosen, B.R.,Debien, L.P.P.,Chen, A.,Zhao, X.,Young, S.W.,Walker, N.P.,Strater, N.,Scaletti, E.R.,Jin, L.,Xu, G.,Leleti, M.R.,Powers, J.P.; Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.; J.Med.Chem., 64:845-860, 2021; PubMed: 33399453; DOI: 10.1021/acs.jmedchem.0c01835

Experimental method

X-RAY DIFFRACTION (2.44 Å)