10kt | pdb_000010kt

Crystal structure of A2A adenosine receptor A2AR-bRIL in complex with Compound50

spinqualitylabelsall models 10kt, resolution 2.59Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 10kt is a 1 chain structure with sequence from Escherichia coli and Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.59Å Ligands: A1C5S, CLR, NA, OLA, OLB, OLC, PEG Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function AA2AR_HUMAN Receptor for adenosine. The activity of this receptor is mediated by G proteins which activate adenylyl cyclase.C562_ECOLX Electron-transport protein of unknown function. Publication Abstract from PubMed Immune cells expressing the adenosine A(2A) receptor (A(2A)R) and A(2B) receptor (A(2B)R) present in an adenosine-rich tumor microenvironment have suppressed effector functions, such as proinflammatory cytokine release, antigen presentation, and others, making them inert to cancer cells. Simultaneous blockade of the downstream effects mediated by both receptor subtypes with a dual inhibitor has the potential to reverse adenosine-mediated suppression of tumor immune surveillance as either a single-agent treatment or in combination with other immunotherapy agents such as anti-PD-1/PD-L1 monoclonal antibodies. This publication describes the discovery and optimization of a novel series of potent and selective dual A(2A)R/A(2B)R antagonists, resulting in compound 46 (MK-1088) being identified for progression to human clinical studies. Discovery of MK-1088 as a Potent A(2A)/A(2B) Adenosine Receptor Dual-Antagonist for Cancer Immunotherapy.,Zhang Y, Hennessy E, Larsen MA, Hao J, Pan J, Mansoor UF, Sather A, Brill ZG, Rico L, Swaminathan U, Moreno J, Vara BA, Ranganath S, Palmieri A, Ogunbodede O, Barry ER, Hinton MC, Daublain P, Gupta P, Chatterjee M, Rottey S, Presland J, Hill AD, Dewey WJ, Schneider SE, Ciaccio PJ, Otte KM, Rindgen D, Tatosian D, Turnbull BWH, Silverman SM, Chobanian H, Krishnamurthy H, Pang L, Wnek R, Afshar R, Crowley S, Miller A, O'Neil J, Chrencik J, Plummer CW, Ali A, Cumming J, DeMong DE J Med Chem. 2026 May 14;69(9):10338-10359. doi: 10.1021/acs.jmedchem.5c03405. , Epub 2026 May 5. PMID:42084562 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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