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5U9D

Discovery of a potent BTK inhibitor with a novel binding mode using parallel selections with a DNA-encoded chemical library

Summary for 5U9D
Entry DOI10.2210/pdb5u9d/pdb
DescriptorTyrosine-protein kinase BTK, (R)-N-methyl-2-(3-((quinoxalin-6-ylamino)methyl)furan-2-carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywordsbrutons tyrosine kinase, btk, protein kinase, dna encoded library, proteros biostructures gmbh, antitumor protein
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm: Q06187
Total number of polymer chains1
Total formula weight32477.25
Authors
Cuozzo, J.W.,Centrella, P.A.,Gikunju, D.,Habeshian, S.,Hupp, C.D.,Keefe, A.D.,Sigel, E.,Soutter, H.H.,Thomson, H.A.,Zhang, Y.,Clark, M.A. (deposition date: 2016-12-16, release date: 2017-01-18, Last modification date: 2024-03-06)
Primary citationCuozzo, J.W.,Centrella, P.A.,Gikunju, D.,Habeshian, S.,Hupp, C.D.,Keefe, A.D.,Sigel, E.A.,Soutter, H.H.,Thomson, H.A.,Zhang, Y.,Clark, M.A.
Discovery of a Potent BTK Inhibitor with a Novel Binding Mode by Using Parallel Selections with a DNA-Encoded Chemical Library.
Chembiochem, 18:864-871, 2017
Cited by
PubMed: 28056160
DOI: 10.1002/cbic.201600573
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.33 Å)
Structure validation

217705

数据于2024-03-27公开中

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