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7RWE

Crystal structure of CDK2 liganded with compound GPHR787

Summary for 7RWE
Entry DOI10.2210/pdb7rwe/pdb
DescriptorCyclin-dependent kinase 2, 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid (3 entities in total)
Functional Keywordsallosteric inhibitor, drug development, kinase, cell cycle
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight34577.11
Authors
Sun, L.,Schonbrunn, E. (deposition date: 2021-08-19, release date: 2022-08-24, Last modification date: 2023-10-25)
Primary citationFaber, E.B.,Wang, N.,John, K.,Sun, L.,Wong, H.L.,Burban, D.,Francis, R.,Tian, D.,Hong, K.H.,Yang, A.,Wang, L.,Elsaid, M.,Khalid, H.,Levinson, N.M.,Schonbrunn, E.,Hawkinson, J.E.,Georg, G.I.
Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66:1928-1940, 2023
Cited by
PubMed: 36701569
DOI: 10.1021/acs.jmedchem.2c01731
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.59 Å)
Structure validation

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