5NJV
| Flavivirus NS5 domain | 分子名称: | CHLORIDE ION, NS5, S-ADENOSYLMETHIONINE | 著者 | Talapatra, S.K, Chatrin, C, Kozielski, F. | 登録日 | 2017-03-29 | 公開日 | 2018-01-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The structure of the binary methyltransferase-SAH complex from Zika virus reveals a novel conformation for the mechanism of mRNA capping. Oncotarget, 9, 2018
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5NJU
| Flavivirus NS5 domain | 分子名称: | Genome polyprotein, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE | 著者 | Talapatra, S.K, Chatrin, C, Kozielski, F. | 登録日 | 2017-03-29 | 公開日 | 2018-01-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The structure of the binary methyltransferase-SAH complex from Zika virus reveals a novel conformation for the mechanism of mRNA capping. Oncotarget, 9, 2018
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6G6Z
| Eg5-inhibitor complex | 分子名称: | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | 著者 | Talapatra, S.K, Kozielski, F, Tham, C.L. | 登録日 | 2018-04-04 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors. Eur J Med Chem, 156, 2018
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6FMP
| Keap1 - peptide complex | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ACY-ASP-GLU-GLU-THR-GLY-GLU-PHE, ... | 著者 | Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D. | 登録日 | 2018-02-01 | 公開日 | 2018-08-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | Modified Peptide Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction Incorporating Unnatural Amino Acids. Chembiochem, 19, 2018
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6G6Y
| Eg5-inhibitor complex | 分子名称: | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | 著者 | Talapatra, S.K, Kozielski, F, Tham, C.L. | 登録日 | 2018-04-03 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors. Eur J Med Chem, 156, 2018
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6FMQ
| Keap1 - peptide complex | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ACY-SC1-GLU-THR-GLY-GLU-LEU, ... | 著者 | Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D. | 登録日 | 2018-02-02 | 公開日 | 2018-08-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Modified Peptide Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction Incorporating Unnatural Amino Acids. Chembiochem, 19, 2018
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6H9R
| Dengue-RdRp3-inhibitor complex soaking | 分子名称: | 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, DI(HYDROXYETHYL)ETHER, Genome polyprotein, ... | 著者 | Talapatra, S.K, Kozielski, F. | 登録日 | 2018-08-05 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases. Biol Open, 8, 2019
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6HKY
| Eg5-inhibitor complex | 分子名称: | (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, ... | 著者 | Talapatra, S.K, Kozielski, F. | 登録日 | 2018-09-09 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5-Inhibitor Complexes. Mol.Cancer Ther., 18, 2019
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6HKX
| Eg5-inhibitor complex | 分子名称: | (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | 著者 | Talapatra, S.K, Kozielski, F. | 登録日 | 2018-09-09 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5-Inhibitor Complexes. Mol.Cancer Ther., 18, 2019
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6H80
| Dengue-RdRp3-inhibitor complex co-crystallisation | 分子名称: | 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, DI(HYDROXYETHYL)ETHER, Genome polyprotein, ... | 著者 | Talapatra, S.K, Kozielski, F. | 登録日 | 2018-07-31 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases. Biol Open, 8, 2019
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6HWS
| Keap1 - inhibitor complex | 分子名称: | 1,2-ETHANEDIOL, 2-[[4-[2-hydroxy-2-oxoethyl-(4-methoxyphenyl)sulfonyl-amino]-3-phenylmethoxy-phenyl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid, Kelch-like ECH-associated protein 1, ... | 著者 | Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D. | 登録日 | 2018-10-13 | 公開日 | 2019-10-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Keap1-inhibitor complex To Be Published
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4AS7
| Eg5 complex 1 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ... | 著者 | Talapatra, S.K, Kozielski, F. | 登録日 | 2012-04-29 | 公開日 | 2013-05-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism. J.Med.Chem., 56, 2013
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4A1Z
| Eg5-1 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION, ... | 著者 | Talapatra, S.K, Kozielski, F. | 登録日 | 2011-09-20 | 公開日 | 2012-10-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism. J.Med.Chem., 56, 2013
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4B7B
| Eg5-3 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, CALCIUM ION, ... | 著者 | Talapatra, S.K, Kozielski, F. | 登録日 | 2012-08-17 | 公開日 | 2013-07-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism. J.Med.Chem., 56, 2013
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4A28
| Eg5-2 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION | 著者 | Talapatra, S.K, Kozielski, F. | 登録日 | 2011-09-22 | 公開日 | 2012-10-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism. J.Med.Chem., 56, 2013
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4BXN
| Eg5(WT) complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ... | 著者 | Talapatra, S.K, Anthony, N.G, Mackay, S.P, Kozielski, F. | 登録日 | 2013-07-15 | 公開日 | 2013-07-31 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.793 Å) | 主引用文献 | The Mitotic Kinesin Eg5 Overcomes Inhibition to the Phase I/II Clinical Candidate Sb743921 by an Allosteric Resistance Mechanism. J.Med.Chem., 56, 2013
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4UBF
| HsMCAK motor domain complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF2C, MAGNESIUM ION | 著者 | Welburn, J.P.I, Talapatra, S.K. | 登録日 | 2014-08-12 | 公開日 | 2015-05-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The C-terminal region of the motor protein MCAK controls its structure and activity through a conformational switch. Elife, 4, 2015
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4AP0
| The mitotic kinesin Eg5 in complex with Mg-ADP and ispinesib | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ISPINESIB MESILATE, ... | 著者 | Schuettelkopf, A.W, Talapatra, S.K, Kozielski, F. | 登録日 | 2012-03-30 | 公開日 | 2012-09-26 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.594 Å) | 主引用文献 | The Structure of the Ternary Eg5-Adp-Ispinesib Complex Acta Crystallogr.,Sect.D, 68, 2012
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3ZCW
| Eg5 - New allosteric binding site | 分子名称: | (2E)-2-(3-fluoranyl-4-methoxy-phenyl)imino-1-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Ulaganathan, V, Talapatra, S.K, Kozielski, F, Pannifer, A.D. | 登録日 | 2012-11-23 | 公開日 | 2013-01-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.691 Å) | 主引用文献 | Structural Insights Into a Unique Inhibitor Binding Pocket in Kinesin Spindle Protein. J.Am.Chem.Soc., 135, 2013
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4BEX
| Structure of human Cofilin1 | 分子名称: | COFILIN-1 | 著者 | Klejnot, M, Gabrielsen, M, Cameron, J, Mleczak, A, Talapatra, S.K, Kozielski, F, Pannifer, A, Olson, M.F. | 登録日 | 2013-03-12 | 公開日 | 2013-08-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Analysis of the Human Cofilin1 Structure Reveals Conformational Changes Required for Actin-Binding Acta Crystallogr.,Sect.D, 69, 2013
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