4R5W

Human artd1 (parp1) - catalytic domain in complex with inhibitor xav939

Summary for 4R5W

• Entry DOI: 10.2210/pdb4r5w/pdb
• Related: 4R6E 4UND 4UXB
• Descriptor: Poly [ADP-ribose] polymerase 1, SULFATE ION, 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, ... (4 entities in total)
• Functional Keywords: adp-ribosylation, dna repair, adp-ribosyl transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus : P09874
• Total number of polymer chains: 2
• Total formula weight: 81696.96

Authors

Karlberg, T.,Thorsell, A.G.,Schuler, H. (deposition date: 2014-08-22, release date: 2015-09-02, Last modification date: 2023-09-20)

• Primary citation: Thorsell, A.G.,Ekblad, T.,Karlberg, T.,Low, M.,Pinto, A.F.,Tresaugues, L.,Moche, M.,Cohen, M.S.,Schuler, H.; Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.; J.Med.Chem., 60:1262-1271, 2017; PubMed: 28001384; DOI: 10.1021/acs.jmedchem.6b00990

Experimental method

X-RAY DIFFRACTION (2.84 Å)