2WPA: Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing

PDB ID: 2WPADownload
MMDB ID: 80223
PDB Deposition Date: 2009/8/3
Updated in MMDB: 2024/05
Experimental Method:
x-ray diffraction
Resolution: 2.51  Å
Source Organism:
Similar Structures:
Biological Unit for 2WPA: dimeric; determined by author and by software (PISA)
Molecular Components in 2WPA
Label Count Molecule
Proteins (2 molecules)
1
Cell Division Protein Kinase 2
(Gene symbol: CDK2)
Molecule annotation
1
Cyclin A2
(Gene symbol: CCNA2)
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
1
SULFATE IONSULFATE ION
2
1
N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDEN-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303