3UH2: Tankyrase-1 In Complexed With Pj34

Citation:
Abstract
The crystal structures of tankyrase 1 (TNKS1) in complex with two small-molecule inhibitors, PJ34 and XAV939, both at 2.0 A resolution, are reported. The structure of TNKS1 in complex with PJ34 reveals two molecules of PJ34 bound in the NAD(+) donor pocket. One molecule is in the nicotinamide portion of the pocket, as previously observed in other PARP structures, while the second molecule is bound in the adenosine portion of the pocket. Additionally, unlike the unliganded crystallization system, the TNKS1-PJ34 crystallization system has the NAD(+) donor site accessible to bulk solvent in the crystal, which allows displacement soaking. The TNKS1-PJ34 crystallization system was used to determine the structure of TNKS1 in complex with XAV939. These structures provide a basis for the start of a structure-based drug-design campaign for TNKS1.
PDB ID: 3UH2Download
MMDB ID: 97294
PDB Deposition Date: 2011/11/3
Updated in MMDB: 2012/02
Experimental Method:
x-ray diffraction
Resolution: 2  Å
Source Organism:
Similar Structures:
Biological Unit for 3UH2: monomeric; determined by author
Molecular Components in 3UH2
Label Count Molecule
Protein (1 molecule)
1
Tankyrase-1(Gene symbol: TNKS)
Molecule annotation
Chemicals (7 molecules)
1
1
2
2
3
4
* Click molecule labels to explore molecular sequence information.

Citing MMDB
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