6B4W
 
 | | TTK in Complex with Inhibitor | | 分子名称: | 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK | | 著者 | Delker, S, Chamberlain, P.P. | | 登録日 | 2017-09-27 | | 公開日 | 2017-10-25 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017
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7TDY
 | | The ubiquitin-associated domain of human thirty-eight negative kinase 1, flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at low protein concentration | | 分子名称: | FORMIC ACID, Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1 | | 著者 | Nawarathnage, S, Bunn, D.R, Stewart, C, Doukev, T, Moody, J.D. | | 登録日 | 2022-01-03 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
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7TCY
 | | The ubiquitin-associated domain of human thirty-eight negative kinase I | | 分子名称: | CHLORIDE ION, FORMIC ACID, MAGNESIUM ION, ... | | 著者 | Nawarathnage, S, Bunn, R.D, Stewart, C, Doukov, T, Moody, J.D. | | 登録日 | 2021-12-29 | | 公開日 | 2023-01-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain.
Structure, 31, 2023
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6MHD
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4LOH
 | | Crystal structure of hSTING(H232) in complex with c[G(2',5')pA(3',5')p] | | 分子名称: | Stimulator of interferon genes protein, cGAMP | | 著者 | Gao, P, Patel, D.J. | | 登録日 | 2013-07-12 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
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4LOJ
 | | Crystal structure of mSting in complex with c[G(2',5')pA(3',5')p] | | 分子名称: | Stimulator of interferon genes protein, cGAMP | | 著者 | Gao, P, Patel, D.J. | | 登録日 | 2013-07-12 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
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6TF7
 | | Human galectin-3c in complex with a galactose derivative | | 分子名称: | 4-fluoranyl-~{N}-[[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide, CHLORIDE ION, Galectin-3, ... | | 著者 | Nilsson, U.J, Zetterberg, F, Hakansson, M, Logan, D.T. | | 登録日 | 2019-11-13 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 3-Substituted 1-Naphthamidomethyl-C-galactosyls Interact with Two Unique Sub-sites for High-Affinity and High-Selectivity Inhibition of Galectin-3.
Molecules, 24, 2019
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6MHC
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4LOL
 | | Crystal structure of mSting in complex with DMXAA | | 分子名称: | (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid, Stimulator of interferon genes protein | | 著者 | Gao, P, Patel, D.J. | | 登録日 | 2013-07-12 | | 公開日 | 2013-08-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
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2N2J
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6TF6
 | | Human galectin-3c in complex with a galactose derivative | | 分子名称: | CHLORIDE ION, Galectin-3, ~{N}-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide | | 著者 | Nilsson, U.J, Zetterberg, F, Hakansson, M, Logan, D.T. | | 登録日 | 2019-11-13 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 3-Substituted 1-Naphthamidomethyl-C-galactosyls Interact with Two Unique Sub-sites for High-Affinity and High-Selectivity Inhibition of Galectin-3.
Molecules, 24, 2019
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7XKY
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5N7W
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6NMK
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6NMM
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4NW6
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6U7J
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6NML
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6C0S
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6N6O
 | | Crystal structure of the human TTK in complex with an inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ... | | 著者 | Fenalti, G. | | 登録日 | 2018-11-26 | | 公開日 | 2019-05-15 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
J.Med.Chem., 62, 2019
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1CZF
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4NW5
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6ODH
 | | BH3 domain swapped dimer of a BAK fragment | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bcl-2 homologous antagonist/killer, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Liu, L.-K. | | 登録日 | 2019-03-26 | | 公開日 | 2020-10-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A BAK fragment that binds mitochondrial lipids and releases cytochrome c
To Be Published
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4OC6
 | | Structure of Cathepsin D with inhibitor 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide, Cathepsin D heavy chain, ... | | 著者 | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | | 登録日 | 2014-01-08 | | 公開日 | 2014-08-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Structure-based optimization of non-peptidic Cathepsin D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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4FE1
 | | Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution | | 分子名称: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | 著者 | Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T. | | 登録日 | 2012-05-29 | | 公開日 | 2012-08-15 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (4.9228 Å) | | 主引用文献 | Improving the accuracy of macromolecular structure refinement at 7 A resolution.
Structure, 20, 2012
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