Deposited model

PDB 2VTA|dpdb_4v3ka7sj

Deposited model

Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.

Program
BUSTER-TNT 2.1.1
Model type
Deposited
Purpose
Reference
Authors
Wyatt, P.G., Woodhead, A.J., Boulstridge, J.A., Berdini, V., Carr, M.G., Cross, D.M., Danillon, D., Davis, D.J., Devine, L.A., Early, T.R., Feltell, R.E., Lewis, E.J., McMenamin, R.L., Navarro, E.F., O'Brien, M.A., O'Reilly, M., Reule, M., Saxty, G., Seavers, L.C.A., Smith, D., Squires, M.S., Trewartha, G., Walker, M.T., Woolford, A.J.
Atoms
2,447
Residues
278
Protein chains
1
Unmodeled fraction
6.71%

Evaluations

R-work
0.233
R-free
0.280
Clashscore
20.9

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
CELL DIVISION PROTEIN KINASE 2298—

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations