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7CJA

Crystal structure of TTK kinase domain in complex with compound 28

Summary for 7CJA
Entry DOI10.2210/pdb7cja/pdb
DescriptorDual specificity protein kinase TTK, 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (3 entities in total)
Functional Keywordskinase mps1 ttk structure-guided drug design, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight33467.00
Authors
Kim, H.L.,Cho, H.Y.,Park, Y.W.,Lee, Y.H.,Son, J.B.,Ko, E.H.,Choi, H.G.,Kim, N.D. (deposition date: 2020-07-09, release date: 2021-05-12, Last modification date: 2023-11-29)
Primary citationLee, Y.,Kim, H.,Kim, H.,Cho, H.Y.,Jee, J.G.,Seo, K.A.,Son, J.B.,Ko, E.,Choi, H.G.,Kim, N.D.,Kim, I.
X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64:6985-6995, 2021
Cited by
PubMed: 33942608
DOI: 10.1021/acs.jmedchem.1c00542
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.49 Å)
Structure validation

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