6RSE

Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class

Summary for 6RSE

• Entry DOI: 10.2210/pdb6rse/pdb
• Related: 6rsb 6rsc 6rsd
• Descriptor: Tyrosine-protein kinase JAK1, methyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate (3 entities in total)
• Functional Keywords: inhibitor, complex, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 70442.11

Authors

Brown, D.G.,Lupardus, P.J. (deposition date: 2019-05-21, release date: 2020-07-08)

• Primary citation: Zak, M.,Gibbons, P.,Brown, D.G.; Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.8 Å)