1COE
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1COD
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3OSK
| Crystal structure of human CTLA-4 apo homodimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, GLYCEROL | Authors: | Yu, C, Sonnen, A.F.-P, Ikemizu, S, Stuart, D.I, Gilbert, R.J.C, Davis, S.J. | Deposit date: | 2010-09-09 | Release date: | 2010-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rigid-body ligand recognition drives cytotoxic T-lymphocyte antigen 4 (CTLA-4) receptor triggering J.Biol.Chem., 286, 2011
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3H8D
| Crystal structure of Myosin VI in complex with Dab2 peptide | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, Disabled homolog 2, ... | Authors: | Yu, C, Feng, W, Wei, Z, Zhang, M. | Deposit date: | 2009-04-29 | Release date: | 2009-09-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Myosin VI undergoes cargo-mediated dimerization Cell(Cambridge,Mass.), 138, 2009
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2L19
| An arsenate reductase in the intermediate state | Descriptor: | Arsenate reductase | Authors: | Yu, C, Xia, B, Jin, C. | Deposit date: | 2010-07-26 | Release date: | 2011-04-13 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | (1)H, (13)C and (15)N resonance assignments of the arsenate reductase from Synechocystis sp. strain PCC 6803 Biomol.Nmr Assign., 5, 2011
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2L17
| An arsenate reductase in the reduced state | Descriptor: | Arsenate reductase | Authors: | Yu, C, Xia, B, Jin, C. | Deposit date: | 2010-07-26 | Release date: | 2011-04-13 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | (1)H, (13)C and (15)N resonance assignments of the arsenate reductase from Synechocystis sp. strain PCC 6803 Biomol.Nmr Assign., 5, 2011
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2L18
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6IWR
| Crystal structure of GalNAc-T7 with UDP, GalNAc and Mn2+ | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MANGANESE (II) ION, N-acetylgalactosaminyltransferase 7, ... | Authors: | Yu, C, Yin, Y.X. | Deposit date: | 2018-12-06 | Release date: | 2019-02-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Structural basis of carbohydrate transfer activity of UDP-GalNAc: Polypeptide N-acetylgalactosaminyltransferase 7. Biochem. Biophys. Res. Commun., 510, 2019
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6IWQ
| Crystal structure of GalNAc-T7 with Mn2+ | Descriptor: | MANGANESE (II) ION, N-acetylgalactosaminyltransferase 7 | Authors: | Yu, C, Yin, Y.X. | Deposit date: | 2018-12-06 | Release date: | 2019-02-06 | Last modified: | 2019-02-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis of carbohydrate transfer activity of UDP-GalNAc: Polypeptide N-acetylgalactosaminyltransferase 7. Biochem. Biophys. Res. Commun., 510, 2019
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6O9D
| Structure of the IRAK4 kinase domain with compound 5 | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | Deposit date: | 2019-03-13 | Release date: | 2019-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6O95
| Structure of the IRAK4 kinase domain with compound 41 | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | Deposit date: | 2019-03-13 | Release date: | 2019-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6O94
| Structure of the IRAK4 kinase domain with compound 17 | Descriptor: | CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | Deposit date: | 2019-03-13 | Release date: | 2019-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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2OQ3
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2K4A
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2KIA
| Solution structure of Myosin VI C-terminal cargo-binding domain | Descriptor: | Myosin-VI | Authors: | Feng, W, Yu, C, Wei, Z, Miyanoiri, Y, Zhang, M. | Deposit date: | 2009-04-29 | Release date: | 2009-09-29 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Myosin VI undergoes cargo-mediated dimerization Cell(Cambridge,Mass.), 138, 2009
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2LD3
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7UVF
| Crystal structure of ZED8 Fab complex with CD8 alpha | Descriptor: | CHLORIDE ION, GLYCEROL, Immunoglobulin heavy chain, ... | Authors: | Yu, C, Davies, C, Koerber, J.T, Williams, S. | Deposit date: | 2022-05-01 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Preclinical development of ZED8, an 89 Zr immuno-PET reagent for monitoring tumor CD8 status in patients undergoing cancer immunotherapy. Eur J Nucl Med Mol Imaging, 50, 2023
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2FLR
| Novel 5-Azaindole Factor VIIa Inhibitors | Descriptor: | Coagulation factor VII, Tissue factor, [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA | Authors: | Riggs, J.R, Hu, H, Kolesnikov, A, Tong, Z, Leahy, E.M, Wesson, K.E, Shrader, W.D, Vijaykumar, D, Wahl, T.A, Sprengeler, P.A, Green, M.J, Yu, C, Katz, B.A, Young, W.B. | Deposit date: | 2006-01-06 | Release date: | 2007-01-23 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Novel 5-azaindole factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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1CHV
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8H67
| type I-B Cascade bound to a PAM-containing dsDNA target at 3.8 angstrom resolution. | Descriptor: | CRISPR RNA, CRISPR associated protein Cas11b, CRISPR associated protein Cas5, ... | Authors: | Xiao, Y, Lu, M, Yu, C, Zhang, Y. | Deposit date: | 2022-10-15 | Release date: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structure of Synechocystis sp. PCC6714 Cascade bound to a PAM-containing dsDNA target at 3.8 angstrom resolution. To Be Published
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5KUP
| Bruton's tyrosine kinase (BTK) with pyridazinone compound 9 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one, GLYCEROL, ... | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2016-07-13 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.389 Å) | Cite: | Battling Btk Mutants With Noncovalent Inhibitors That Overcome Cys481 and Thr474 Mutations. Acs Chem.Biol., 11, 2016
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6O8U
| Crystal structure of IRAK4 in complex with compound 23 | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ... | Authors: | Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J. | Deposit date: | 2019-03-12 | Release date: | 2019-05-22 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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1X32
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6NSQ
| Crystal structure of BRAF kinase domain bound to the inhibitor 2l | Descriptor: | 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine, Serine/threonine-protein kinase B-raf | Authors: | Maisonneuve, P, Kurinov, I, Assadieskandar, A, Yu, C, Zhang, C, Sicheri, F. | Deposit date: | 2019-01-25 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Rigidification Dramatically Improves Inhibitor Selectivity for RAF Kinases. Acs Med.Chem.Lett., 10, 2019
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6XE4
| BTK Fluorocyclopropyl amide inhibitor, Compound 25 | Descriptor: | (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Kiefer, J.R, Crawford, J.J, Lee, W, Eigenbrot, C, Yu, C. | Deposit date: | 2020-06-11 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Stereochemical Differences in Fluorocyclopropyl Amides Enable Tuning of Btk Inhibition and Off-Target Activity. Acs Med.Chem.Lett., 11, 2020
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