6DBN
 
 | | Jak1 with compound 23 | | 分子名称: | Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | | 著者 | Vajdos, F.F. | | 登録日 | 2018-05-03 | | 公開日 | 2018-08-29 | | 最終更新日 | 2018-11-07 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
|
|
8Z0L
 | | Cryo-EM structure of Cas8-HNH system at partial R-loop state | | 分子名称: | DNA (32-MER), DNA (5'-D(P*GP*TP*GP*CP*GP*GP*A)-3'), HNH endonuclease, ... | | 著者 | Zhang, H, Zhu, H, Li, X, Liu, Y. | | 登録日 | 2024-04-09 | | 公開日 | 2024-10-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (2.57 Å) | | 主引用文献 | Structural basis for the type I-F Cas8-HNH system.
Embo J., 2024
|
|
8ZDY
 | |
8Z0K
 | | Cryo-EM structure of Cas8-HNH system at full R-loop state | | 分子名称: | DNA (37-MER), DNA (5'-D(P*GP*TP*GP*CP*GP*GP*A)-3'), HNH endonuclease, ... | | 著者 | Zhang, H, Zhu, H, Li, X, Liu, Y. | | 登録日 | 2024-04-09 | | 公開日 | 2024-10-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (2.51 Å) | | 主引用文献 | Structural basis for the type I-F Cas8-HNH system.
Embo J., 2024
|
|
8ZNR
 | | Cryo-EM structure of Cas8-HNH system at ssDNA-bound state | | 分子名称: | DNA (35-MER), RNA (56-MER), protein structure | | 著者 | Zhang, H, Zhu, H, Li, X, Liu, Y. | | 登録日 | 2024-05-28 | | 公開日 | 2024-10-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structural basis for the type I-F Cas8-HNH system.
Embo J., 2024
|
|
5XMM
 | | FLA-E*01801-167W/S | | 分子名称: | Beta-2-microglobulin, Gag polyprotein, MHC class I antigen alpha chain | | 著者 | Liang, R, Sun, Y, Wang, J, Wu, Y, Zhang, N, Xia, C. | | 登録日 | 2017-05-15 | | 公開日 | 2017-12-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Major Histocompatibility Complex Class I (FLA-E*01801) Molecular Structure in Domestic Cats Demonstrates Species-Specific Characteristics in Presenting Viral Antigen Peptides
J. Virol., 92, 2018
|
|
7QUB
 | | EV-A71-3Cpro in complex with inhibitor MG78 | | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C, SODIUM ION | | 著者 | El Kilani, H, Hilgenfeld, R. | | 登録日 | 2022-01-17 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
|
|
7QG1
 | | IRAK4 in complex with inhibitor | | 分子名称: | Interleukin-1 receptor-associated kinase 4, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate | | 著者 | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | | 登録日 | 2021-12-07 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
|
|
7QL8
 | | SARS-COV2 Main Protease in complex with inhibitor MG78 | | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | El Kilani, H, Hilgenfeld, R. | | 登録日 | 2021-12-19 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.807 Å) | | 主引用文献 | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
|
|
7QG5
 | | IRAK4 in complex with inhibitor | | 分子名称: | 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4 | | 著者 | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | | 登録日 | 2021-12-07 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
|
|
7QG2
 | | IRAK4 in complex with inhibitor | | 分子名称: | 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4 | | 著者 | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | | 登録日 | 2021-12-07 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.031 Å) | | 主引用文献 | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
|
|
7QG3
 | | IRAK4 in complex with inhibitor | | 分子名称: | 6-[(2~{S})-2-fluoranylpropyl]-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4 | | 著者 | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | | 登録日 | 2021-12-07 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
|
|
5T0F
 | | Crystal structure of the Myc3 N-terminal domain [44-242] in complex with JAZ10 CMID domain [16-58] from arabidopsis | | 分子名称: | Protein TIFY 9, Transcription factor MYC3 | | 著者 | Ke, J, Zhang, F, Brunzelle, J.S, He, S.Y, Xu, H.E, Melcher, K. | | 登録日 | 2016-08-16 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural insights into alternative splicing-mediated desensitization of jasmonate signaling.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5J8V
 | |
8IXV
 | | Crystal structure of intracellular B30.2 domain of BTN3A in complex with 2Cl-HMBPP | | 分子名称: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | | 登録日 | 2023-04-03 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
|
|
7F70
 | |
8IZG
 | | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 5-HMBPP | | 分子名称: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | | 登録日 | 2023-04-07 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
|
|
8CYF
 | | WhiB3 bound to SigmaAr4-RNAP Beta flap tip chimera and DNA | | 分子名称: | CACODYLATE ION, DNA (5'-D(*CP*AP*CP*CP*AP*CP*AP*AP*CP*CP*GP*AP*TP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*AP*AP*TP*CP*GP*GP*TP*TP*GP*TP*GP*GP*T)-3'), ... | | 著者 | Wan, T, Zhang, L.M. | | 登録日 | 2022-05-23 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Structural basis of DNA binding by the WhiB-like transcription factor WhiB3 in Mycobacterium tuberculosis.
J.Biol.Chem., 299, 2023
|
|
7CRH
 | | Cryo-EM structure of SKF83959 bound dopamine receptor DRD1-Gs signaling complex | | 分子名称: | (1S)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol, D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Yan, W, Shao, Z.H. | | 登録日 | 2020-08-13 | | 公開日 | 2021-03-03 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
|
|
7CKW
 | | Cryo-EM structure of Fenoldopam bound dopamine receptor DRD1-Gs signaling complex | | 分子名称: | (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | | 著者 | Yan, W, Shao, W. | | 登録日 | 2020-07-20 | | 公開日 | 2021-03-03 | | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | | 主引用文献 | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
|
|
4YWC
 | | Crystal structure of Myc3(5-242) fragment in complex with Jaz9(218-239) peptide | | 分子名称: | Protein TIFY 7, Transcription factor MYC3 | | 著者 | Ke, J, Zhang, F, Brunzelle, J.S, Xu, H.E, Melcher, K, He, S.Y. | | 登録日 | 2015-03-20 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
|
|
7CKZ
 | | Cryo-EM structure of Dopamine and LY3154207 bound dopamine receptor DRD1-Gs signaling complex | | 分子名称: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | | 著者 | Yan, W, Shao, Z. | | 登録日 | 2020-07-20 | | 公開日 | 2021-03-03 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
|
|
7CKY
 | | Cryo-EM structure of PW0464 bound dopamine receptor DRD1-Gs signaling complex | | 分子名称: | 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ... | | 著者 | Yan, W, Shao, Z. | | 登録日 | 2020-07-20 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
|
|
7CKX
 | | Cryo-EM structure of A77636 bound dopamine receptor DRD1-Gs signaling complex | | 分子名称: | (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | | 著者 | Yan, W, Shao, Z. | | 登録日 | 2020-07-20 | | 公開日 | 2021-03-03 | | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | | 主引用文献 | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
|
|
6LBE
 | |
