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6MNY

Crystal structure of mouse BTK kinase domain in complex with compound 9a

Summary for 6MNY
Entry DOI10.2210/pdb6mny/pdb
DescriptorTyrosine-protein kinase, 5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide (3 entities in total)
Functional Keywordskinase, drug design, transferase
Biological sourceMus musculus (Mouse)
Total number of polymer chains2
Total formula weight64513.87
Authors
Han, S.,Caspers, N.,Ohren, J.O. (deposition date: 2018-10-03, release date: 2019-01-30)
Primary citationSchnute, M.E.,Benoit, S.E.,Buchler, I.P.,Caspers, N.,Grapperhaus, M.L.,Han, S.,Hotchandani, R.,Huang, N.,Hughes, R.O.,Juba, B.M.,Kim, K.H.,Liu, E.,McCarthy, E.,Messing, D.,Miyashiro, J.S.,Mohan, S.,O'Connell, T.N.,Ohren, J.F.,Parikh, M.D.,Schmidt, M.,Selness, S.R.,Springer, J.R.,Thanabal, V.,Trujillo, J.I.,Walker, D.P.,Wan, Z.K.,Withka, J.M.,Wittwer, A.J.,Wood, N.L.,Xing, L.,Zapf, C.W.,Douhan III, J.
Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning.
ACS Med Chem Lett, 10:80-85, 2019
Cited by
PubMed: 30655951
DOI: 10.1021/acsmedchemlett.8b00461
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.8 Å)
Structure validation

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