6SKB

Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK3496783A

Summary for 6SKB

Entry DOI	10.2210/pdb6skb/pdb
Descriptor	Kallikrein-6, 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, ... (5 entities in total)
Functional Keywords	protease, inhibitor, complex, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	3
Total formula weight	96553.93
Authors	Thorpe, J.H. (deposition date: 2019-08-15, release date: 2019-09-25, Last modification date: 2024-01-24)
Primary citation	Walker, A.L.,Denis, A.,Bingham, R.P.,Boulliot, A.,Edgar, E.V.,Ferrie, A.,Holmes, D.S.,Laroze, A.,Liddle, J.,Fouchet, M.H.,Moquette, A.,Nassau, P.,Pearce, A.C.,Polyakova, O.,Smith, K.J.,Thomas, P.,Thorpe, J.H.,Trottet, L.,Wang, Y.,Hovnanian, A. Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors. Bioorg.Med.Chem.Lett., 29:126675-126675, 2019 Cited by PubMed: 31521475 DOI: 10.1016/j.bmcl.2019.126675 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.84 Å)

Structure validation