4TUH
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![BU of 4tuh by Molmil](/molmil-images/mine/4tuh) | Bcl-xL in complex with inhibitor (Compound 10) | 分子名称: | 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-{3-[4-(1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenoxy]propyl}-1,3-thiazole-4-carboxylic acid, ACETATE ION, ... | 著者 | Czabotar, P.E, Lessense, G, Smith, B.J, Colman, P.M. | 登録日 | 2014-06-24 | 公開日 | 2014-10-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL. Acs Med.Chem.Lett., 5, 2014
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3GTA
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![BU of 3gta by Molmil](/molmil-images/mine/3gta) | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing 7, ... | 著者 | Franklin, M.C, Fairbrother, W.J, Cohen, F. | 登録日 | 2009-03-27 | 公開日 | 2010-03-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres. Bioorg.Med.Chem.Lett., 20, 2010
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3HL5
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![BU of 3hl5 by Molmil](/molmil-images/mine/3hl5) | Crystal structure of XIAP BIR3 with CS3 | 分子名称: | (3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyrimidin-2-ylphenyl)-L-prolinamide, Baculoviral IAP repeat-containing protein 4, ZINC ION | 著者 | Hymowitz, S.G. | 登録日 | 2009-05-26 | 公開日 | 2009-06-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Antagonism of c-IAP and XIAP proteins is required for efficient induction of cell death by small-molecule IAP antagonists. Acs Chem.Biol., 4, 2009
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3GT9
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![BU of 3gt9 by Molmil](/molmil-images/mine/3gt9) | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | 分子名称: | Baculoviral IAP repeat-containing 7, N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide, ZINC ION | 著者 | Franklin, M.C, Fairbrother, W.J, Cohen, F. | 登録日 | 2009-03-27 | 公開日 | 2010-03-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres. Bioorg.Med.Chem.Lett., 20, 2010
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3P9U
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![BU of 3p9u by Molmil](/molmil-images/mine/3p9u) | Crystal structure of TetX2 from Bacteroides thetaiotaomicron with substrate analogue | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TetX2 protein | 著者 | Walkiewicz, K, Davlieva, M, Sun, C, Lau, K, Shamoo, Y. | 登録日 | 2010-10-18 | 公開日 | 2011-04-27 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Crystal structure of Bacteroides thetaiotaomicron TetX2: a tetracycline degrading monooxygenase at 2.8 A resolution. Proteins, 79, 2011
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4RFM
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![BU of 4rfm by Molmil](/molmil-images/mine/4rfm) | ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide | 分子名称: | (4aS,5aR)-N-{1-[(R)-[(2R)-1,1-dioxidotetrahydro-2H-thiopyran-2-yl](phenyl)methyl]-1H-pyrazol-4-yl}-5,5-difluoro-5a-methyl-1,4,4a,5,5a,6-hexahydrocyclopropa[f]indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | 著者 | McEwan, P.A, Barker, J.J, Eigenbrot, C. | 登録日 | 2014-09-26 | 公開日 | 2015-04-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo. J.Med.Chem., 58, 2015
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6CDX
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![BU of 6cdx by Molmil](/molmil-images/mine/6cdx) | High-resolution crystal structure of fluoropropylated cystine knot, binding to alpha-5 beta-6 integrin | 分子名称: | cystine knot (fluoropropylated) | 著者 | Kimura, R, Nix, J, Bongura, C, Chakraborti, S, Gambhir, S, Filipp, F.V. | 登録日 | 2018-02-09 | 公開日 | 2019-08-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Evaluation of integrin alpha v beta6cystine knot PET tracers to detect cancer and idiopathic pulmonary fibrosis. Nat Commun, 10, 2019
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7PHG
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![BU of 7phg by Molmil](/molmil-images/mine/7phg) | MaP OF P5C3RBD Interface | 分子名称: | Heavy ChaIn variable, Light ChaIn, Surface glycoprotein | 著者 | Perez, L. | 登録日 | 2021-08-17 | 公開日 | 2021-10-13 | 最終更新日 | 2021-10-27 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | A highly potent antibody effective against SARS-CoV-2 variants of concern. Cell Rep, 37, 2021
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7P40
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![BU of 7p40 by Molmil](/molmil-images/mine/7p40) | P5C3 is a potent fab neutralizer | 分子名称: | Spike glycoprotein, Variable Heavy Chain P5C3 (VH), Variable Light Chain P5C3 (VL) | 著者 | perez, L. | 登録日 | 2021-07-09 | 公開日 | 2021-10-13 | 最終更新日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | A highly potent antibody effective against SARS-CoV-2 variants of concern. Cell Rep, 37, 2021
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4MF1
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![BU of 4mf1 by Molmil](/molmil-images/mine/4mf1) | ITK kinase domain in complex with benzothiazole inhibitor 12b (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(1H-PYRAZOL-4-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE | 分子名称: | (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide, Tyrosine-protein kinase ITK/TSK | 著者 | Eigenbrot, C, Shia, S. | 登録日 | 2013-08-27 | 公開日 | 2013-11-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.113 Å) | 主引用文献 | Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK). Bioorg.Med.Chem.Lett., 23, 2013
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4MF0
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![BU of 4mf0 by Molmil](/molmil-images/mine/4mf0) | ITK kinase domain in complex with benzothiazole inhibitor compound 12a (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]CYCLOPROPANECARBOXAMIDE (12a) | 分子名称: | (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide, Tyrosine-protein kinase ITK/TSK | 著者 | Eigenbrot, C, Shia, S. | 登録日 | 2013-08-27 | 公開日 | 2013-11-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK). Bioorg.Med.Chem.Lett., 23, 2013
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4PRJ
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4R84
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![BU of 4r84 by Molmil](/molmil-images/mine/4r84) | Crystal structure of Sialyltransferase from Photobacterium damsela with CMP-3F(a)Neu5Ac bound | 分子名称: | CALCIUM ION, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID, Sialyltransferase 0160 | 著者 | Fisher, A.J, Chen, X, Li, Y, Huynh, N. | 登録日 | 2014-08-29 | 公開日 | 2014-12-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structures of sialyltransferase from Photobacterium damselae. Febs Lett., 588, 2014
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4R83
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![BU of 4r83 by Molmil](/molmil-images/mine/4r83) | Crystal structure of Sialyltransferase from Photobacterium damsela | 分子名称: | CALCIUM ION, Sialyltransferase 0160 | 著者 | Fisher, A.J, Chen, X, Li, Y, Huynh, N. | 登録日 | 2014-08-29 | 公開日 | 2014-12-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Crystal structures of sialyltransferase from Photobacterium damselae. Febs Lett., 588, 2014
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4R9V
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![BU of 4r9v by Molmil](/molmil-images/mine/4r9v) | Crystal structure of sialyltransferase from photobacterium damselae, residues 113-497 corresponding to the gt-b domain | 分子名称: | CALCIUM ION, Sialyltransferase 0160 | 著者 | Li, Y, Huynh, N, Chen, X, Fisher, A.J. | 登録日 | 2014-09-08 | 公開日 | 2014-12-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of sialyltransferase from Photobacterium damselae. Febs Lett., 588, 2014
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4PQN
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![BU of 4pqn by Molmil](/molmil-images/mine/4pqn) | ITK kinase domain with compound GNE-9822 | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK | 著者 | McEwan, P.A, Barker, J.J, Eigenbrot, C. | 登録日 | 2014-03-03 | 公開日 | 2014-07-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors. J.Med.Chem., 57, 2014
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4I2S
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4I8M
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![BU of 4i8m by Molmil](/molmil-images/mine/4i8m) | |
4I7I
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![BU of 4i7i by Molmil](/molmil-images/mine/4i7i) | |
4I96
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![BU of 4i96 by Molmil](/molmil-images/mine/4i96) | |
4I1E
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![BU of 4i1e by Molmil](/molmil-images/mine/4i1e) | |
4I3N
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![BU of 4i3n by Molmil](/molmil-images/mine/4i3n) | |
4I0Y
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![BU of 4i0y by Molmil](/molmil-images/mine/4i0y) | |
4I6I
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4I37
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![BU of 4i37 by Molmil](/molmil-images/mine/4i37) | |