6YE1
Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A894 (compound 2n in publication) in the closed form (crystal form IV)
Summary for 6YE1
Entry DOI | 10.2210/pdb6ye1/pdb |
Descriptor | 5'-nucleotidase, ZINC ION, [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid, ... (4 entities in total) |
Functional Keywords | competitive nucleotide inhibitor, hydrolase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 119710.07 |
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 Cited by PubMed: 33399453DOI: 10.1021/acs.jmedchem.0c01835 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.66 Å) |
Structure validation
Download full validation report