7M3Y
Structure of TIM-3 in complex with 8-chloro-2-methyl-9-(3-mehtylpyridin-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one (compound 22)
Summary for 7M3Y
Entry DOI | 10.2210/pdb7m3y/pdb |
Descriptor | Hepatitis A virus cellular receptor 2, (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one, CALCIUM ION, ... (4 entities in total) |
Functional Keywords | igv, immune system |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 12663.83 |
Authors | Rietz, T.A. (deposition date: 2021-03-19, release date: 2021-10-13, Last modification date: 2023-10-18) |
Primary citation | Rietz, T.A.,Teuscher, K.B.,Mills, J.J.,Gogliotti, R.D.,Lepovitz, L.T.,Scaggs, W.R.,Yoshida, K.,Luong, K.,Lee, T.,Fesik, S.W. Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J.Med.Chem., 64:14757-14772, 2021 Cited by PubMed: 34597046DOI: 10.1021/acs.jmedchem.1c01336 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.69 Å) |
Structure validation
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