Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening

Andersson CD, Karlberg T, Ekblad T, Lindgren AEG, Thorsell AG, Spjut S, Uciechowska U, Niemiec MS, Wittung-Stafshede P, Weigelt J, Elofsson M, Schüler H, Linusson A

J. Med. Chem. 55 (17) 7706-7718 [2012-09-13; online 2012-09-13]

Chemical Biology Consortium Sweden (CBCS) [Service]

Protein Science Facility (PSF)

QC bibliography QC xrefs

PubMed 22823910

DOI 10.1021/jm300746d

Crossref 10.1021/jm300746d

PDB 4F0E [Human ADP-RIBOSYLTRANSFERASE 7 (ARTD7/PARP15), CATALYTIC DOMAIN IN COMPLEX WITH STO1102]

PDB 4F1Q [Human Artd8 (Parp14, Bal2) - catalytic domain in complex with A16(E)]

PDB 4F1L [Human Artd8 (Parp14, Bal2) - catalytic domain in complex with inhibitor A16(Z)]

Laboratories for Chemical Biology Umeå (LCBU)