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: 2024-10-23)

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

PubMed Abstract: The catalytic function of BUB1 is required for chromosome arm resolution and positioning of the chromosomal passenger complex for resolution of spindle attachment errors and plays only a minor role in spindle assembly checkpoint activation. Here, we present the identification and preclinical pharmacologic profile of the first BUB1 kinase inhibitor with good bioavailability.

PubMed: 30429199
DOI: 10.1158/1078-0432.CCR-18-0628

Experimental method

X-RAY DIFFRACTION (2 Å)