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6DI3

CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH FRAGMENT LIGAND

Summary for 6DI3
Entry DOI10.2210/pdb6di3/pdb
Related6di0
DescriptorTyrosine-protein kinase BTK, 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide (3 entities in total)
Functional Keywordslead optimization, fragment screening by x-ray, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight32042.77
Authors
GARDBERG, A. (deposition date: 2018-05-22, release date: 2018-09-05, Last modification date: 2024-03-13)
Primary citationQiu, H.,Liu-Bujalski, L.,Caldwell, R.D.,Follis, A.V.,Gardberg, A.,Goutopoulos, A.,Grenningloh, R.,Head, J.,Johnson, T.,Jones, R.,Mochalkin, I.,Morandi, F.,Neagu, C.,Sherer, B.
Discovery of potent, highly selective covalent irreversible BTK inhibitors from a fragment hit.
Bioorg. Med. Chem. Lett., 28:2939-2944, 2018
Cited by
PubMed: 30122225
DOI: 10.1016/j.bmcl.2018.07.008
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2 Å)
Structure validation

217705

數據於2024-03-27公開中

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