6F7B

Crystal structure of the human Bub1 kinase domain in complex with BAY 1816032

Summary for 6F7B

Entry DOI	10.2210/pdb6f7b/pdb
Descriptor	Mitotic checkpoint serine/threonine-protein kinase BUB1, 2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol, MAGNESIUM ION, ... (4 entities in total)
Functional Keywords	bub1, kinase inhibitor, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	42042.86
Authors	Holton, S.J.,Siemeister, G.,Mengel, A.,Bone, W.,Schroeder, J.,Zitzmann-Kolbe, S.,Briem, H.,Fernandez-Montalvan, A.,Prechtl, S.,Moenning, U.,von Ahsen, O.,Johanssen, J.,Cleve, A.,Puetter, V.,Hitchcock, M.,von Nussbaum, F.,Brands, M.,Mumberg, D.,Ziegelbauer, K. (deposition date: 2017-12-08, release date: 2018-12-19, Last modification date: 2021-05-05)
Primary citation	Siemeister, G.,Mengel, A.,Fernandez-Montalvan, A.E.,Bone, W.,Schroder, J.,Zitzmann-Kolbe, S.,Briem, H.,Prechtl, S.,Holton, S.J.,Monning, U.,von Ahsen, O.,Johanssen, S.,Cleve, A.,Putter, V.,Hitchcock, M.,von Nussbaum, F.,Brands, M.,Ziegelbauer, K.,Mumberg, D. Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP InhibitorsIn VitroandIn Vivo. Clin.Cancer Res., 25:1404-1414, 2019 Cited by PubMed: 30429199 DOI: 10.1158/1078-0432.CCR-18-0628 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation