5AEH
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5XYX
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![BU of 5xyx by Molmil](/molmil-images/mine/5xyx) | The structure of p38 alpha in complex with a triazol inhibitor | 分子名称: | Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine | 著者 | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | 登録日 | 2017-07-11 | 公開日 | 2018-01-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery. J. Med. Chem., 60, 2017
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5AL4
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![BU of 5al4 by Molmil](/molmil-images/mine/5al4) | Crystal structure of TNKS2 in complex with 2-(4-methylpiperazin-1-yl)- 3,4,5,6,7,8-hexahydroquinazolin-4-one | 分子名称: | 2-(4-METHYLPIPERAZIN-1-YL)-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Lehtio, L. | 登録日 | 2015-03-06 | 公開日 | 2015-07-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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7UNF
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![BU of 7unf by Molmil](/molmil-images/mine/7unf) | CryoEM structure of a mEAK7 bound human V-ATPase complex | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Wang, R, Li, X. | 登録日 | 2022-04-10 | 公開日 | 2022-06-15 | 最終更新日 | 2022-06-29 | 実験手法 | ELECTRON MICROSCOPY (4.08 Å) | 主引用文献 | Molecular basis of mEAK7-mediated human V-ATPase regulation. Nat Commun, 13, 2022
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5AKW
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![BU of 5akw by Molmil](/molmil-images/mine/5akw) | Crystal structure of TNKS2 in complex with 2-(4-chlorophenyl)-1,2,3,4- tetrahydroquinazolin-4-one | 分子名称: | (2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Nkizinkiko, Y, Lehtio, L. | 登録日 | 2015-03-05 | 公開日 | 2015-07-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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3D1B
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5Y6C
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4L2F
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![BU of 4l2f by Molmil](/molmil-images/mine/4l2f) | Tankyrase 2 in complex with 6-chloro flavone | 分子名称: | 6-chloro-2-phenyl-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2013-06-04 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L2K
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![BU of 4l2k by Molmil](/molmil-images/mine/4l2k) | Tankyrase 2 in complex with 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one | 分子名称: | 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | 著者 | Narwal, M, Haikarainen, T, Lehtio, L. | 登録日 | 2013-06-04 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4LJO
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![BU of 4ljo by Molmil](/molmil-images/mine/4ljo) | Structure of an active ligase (HOIP)/ubiquitin transfer complex | 分子名称: | E3 ubiquitin-protein ligase RNF31, IMIDAZOLE, Polyubiquitin-C, ... | 著者 | Rana, R.R, Stieglitz, B, Koliopoulos, M.G, Morris-Davies, A.C, Christodoulou, E, Howell, S, Brown, N.R, Rittinger, K. | 登録日 | 2013-07-05 | 公開日 | 2013-10-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.564 Å) | 主引用文献 | Structural basis for ligase-specific conjugation of linear ubiquitin chains by HOIP. Nature, 503, 2013
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4L3P
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![BU of 4l3p by Molmil](/molmil-images/mine/4l3p) | Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1 | 分子名称: | 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | 著者 | Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M. | 登録日 | 2013-06-06 | 公開日 | 2013-06-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1. Bioorg.Med.Chem.Lett., 23, 2013
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5YDK
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![BU of 5ydk by Molmil](/molmil-images/mine/5ydk) | Crystal structure of RNF168 UDM1 in complex with Lys63-linked diubiquitin, tetrameric form | 分子名称: | E3 ubiquitin-protein ligase RNF168, GLYCEROL, Ubiquitin-40S ribosomal protein S27a | 著者 | Takahashi, T.S, Sato, Y, Fukai, S. | 登録日 | 2017-09-13 | 公開日 | 2018-03-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.505 Å) | 主引用文献 | Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168 Nat Commun, 9, 2018
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5YGD
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4LI8
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![BU of 4li8 by Molmil](/molmil-images/mine/4li8) | TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide | 分子名称: | 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide, SULFATE ION, Tankyrase-1, ... | 著者 | Kirby, C.A, Stams, T. | 登録日 | 2013-07-02 | 公開日 | 2013-08-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.521 Å) | 主引用文献 | Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem., 56, 2013
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4QQG
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![BU of 4qqg by Molmil](/molmil-images/mine/4qqg) | Crystal structure of an N-terminal HTATIP fragment | 分子名称: | Histone acetyltransferase KAT5, UNKNOWN ATOM OR ION | 著者 | Liu, Y, Tempel, W, Wernimont, A.K, Dobrovetsky, E, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2014-06-27 | 公開日 | 2014-07-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural and histone binding studies of the chromo barrel domain of TIP60. FEBS Lett., 592, 2018
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5BXO
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![BU of 5bxo by Molmil](/molmil-images/mine/5bxo) | Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n2m3 | 分子名称: | 4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole), DIMETHYL SULFOXIDE, SULFATE ION, ... | 著者 | Xu, W, Fischer, G, Hyvonen, M, Itzhaki, L. | 登録日 | 2015-06-09 | 公開日 | 2016-06-29 | 最終更新日 | 2023-03-29 | 実験手法 | X-RAY DIFFRACTION (1.334 Å) | 主引用文献 | Macrocyclized Extended Peptides: Inhibiting the Substrate-Recognition Domain of Tankyrase. J.Am.Chem.Soc., 139, 2017
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4QVF
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4LJQ
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![BU of 4ljq by Molmil](/molmil-images/mine/4ljq) | Crystal structure of the catalytic core of E3 ligase HOIP | 分子名称: | E3 ubiquitin-protein ligase RNF31, ZINC ION | 著者 | Stieglitz, B, Rana, R.R, Koliopoulos, M.G, Morris-Davies, A.C, Christodoulou, E, Howell, S, Brown, N.R, Rittinger, K. | 登録日 | 2013-07-05 | 公開日 | 2013-10-16 | 最終更新日 | 2013-12-18 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural basis for ligase-specific conjugation of linear ubiquitin chains by HOIP. Nature, 503, 2013
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5BXU
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![BU of 5bxu by Molmil](/molmil-images/mine/5bxu) | Human Tankyrase-2 in Complex with Macrocyclised Extended Peptide cp4n4m5 | 分子名称: | 4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole), CHLORIDE ION, Tankyrase-2, ... | 著者 | Xu, W, Fischer, G, Hyvonen, M, Itzhaki, L. | 登録日 | 2015-06-09 | 公開日 | 2016-06-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Human Tankyrase-2 in Complex with Extended Stapled Peptide sp4n4m5 to be published
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5VQA
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![BU of 5vqa by Molmil](/molmil-images/mine/5vqa) | Structure of human TRIP13, ATP-bound form | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Pachytene checkpoint protein 2 homolog | 著者 | Ye, Q, Corbett, K.D. | 登録日 | 2017-05-08 | 公開日 | 2017-06-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | The AAA+ ATPase TRIP13 remodels HORMA domains through N-terminal engagement and unfolding. EMBO J., 36, 2017
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5VW1
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4LOO
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![BU of 4loo by Molmil](/molmil-images/mine/4loo) | Structural basis of autoactivation of p38 alpha induced by TAB1 (Monoclinic crystal form) | 分子名称: | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | 著者 | Chaikuad, A, DeNicola, G.F, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-07-13 | 公開日 | 2013-08-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1. Nat.Struct.Mol.Biol., 20, 2013
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4LOQ
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![BU of 4loq by Molmil](/molmil-images/mine/4loq) | Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate) | 分子名称: | 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, ... | 著者 | Chaikuad, A, DeNicola, G.F, Yue, W.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2013-07-13 | 公開日 | 2013-08-21 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.319 Å) | 主引用文献 | Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1. Nat.Struct.Mol.Biol., 20, 2013
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2YAT
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![BU of 2yat by Molmil](/molmil-images/mine/2yat) | Crystal structure of estradiol derived metal chelate and estrogen receptor-ligand binding domain complex | 分子名称: | ESTRADIOL-PYRIDINIUM TETRAACETIC ACID, ESTROGEN RECEPTOR, EUROPIUM ION, ... | 著者 | Li, M.J, Greenblatt, H.M, Dym, O, Albeck, S, Degani, H, Sussman, J.L. | 登録日 | 2011-02-24 | 公開日 | 2011-06-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.602 Å) | 主引用文献 | Structure of Estradiol Metal Chelate and Estrogen Receptor Complex: The Basis for Designing a New Class of Selective Estrogen Receptor Modulators. J.Med.Chem., 54, 2011
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3DS6
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![BU of 3ds6 by Molmil](/molmil-images/mine/3ds6) | P38 complex with a phthalazine inhibitor | 分子名称: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | 著者 | Herberich, B, Syed, R, Li, V, Grosfeld, D. | 登録日 | 2008-07-11 | 公開日 | 2008-10-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
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