6G6Z
 
 | | Eg5-inhibitor complex | | Descriptor: | (~{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, ... | | Authors: | Talapatra, S.K, Kozielski, F, Tham, C.L. | | Deposit date: | 2018-04-04 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 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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4AS7
 | | Eg5 complex 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Talapatra, S.K, Kozielski, F. | | Deposit date: | 2012-04-29 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, CALCIUM ION, ... | | Authors: | Talapatra, S.K, Kozielski, F. | | Deposit date: | 2012-08-17 | | Release date: | 2013-07-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 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 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Talapatra, S.K, Anthony, N.G, Mackay, S.P, Kozielski, F. | | Deposit date: | 2013-07-15 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.793 Å) | | Cite: | 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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6G6Y
 | | Eg5-inhibitor complex | | Descriptor: | (~{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, ... | | Authors: | Talapatra, S.K, Kozielski, F, Tham, C.L. | | Deposit date: | 2018-04-03 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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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6HWS
 | | Keap1 - inhibitor complex | | Descriptor: | 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, ... | | Authors: | Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D. | | Deposit date: | 2018-10-13 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Keap1-inhibitor complex
To Be Published
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4A1Z
 | | Eg5-1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION, ... | | Authors: | Talapatra, S.K, Kozielski, F. | | Deposit date: | 2011-09-20 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 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 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION | | Authors: | Talapatra, S.K, Kozielski, F. | | Deposit date: | 2011-09-22 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | 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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5NJV
 | | Flavivirus NS5 domain | | Descriptor: | CHLORIDE ION, NS5, S-ADENOSYLMETHIONINE | | Authors: | Talapatra, S.K, Chatrin, C, Kozielski, F. | | Deposit date: | 2017-03-29 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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 | | Descriptor: | Genome polyprotein, MAGNESIUM ION, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Talapatra, S.K, Chatrin, C, Kozielski, F. | | Deposit date: | 2017-03-29 | | Release date: | 2018-01-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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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4UBF
 | | HsMCAK motor domain complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF2C, MAGNESIUM ION | | Authors: | Welburn, J.P.I, Talapatra, S.K. | | Deposit date: | 2014-08-12 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 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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6H9R
 | | Dengue-RdRp3-inhibitor complex soaking | | Descriptor: | 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, DI(HYDROXYETHYL)ETHER, Genome polyprotein, ... | | Authors: | Talapatra, S.K, Kozielski, F. | | Deposit date: | 2018-08-05 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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 | | Descriptor: | (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, ... | | Authors: | Talapatra, S.K, Kozielski, F. | | Deposit date: | 2018-09-09 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | 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 | | Descriptor: | (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, ... | | Authors: | Talapatra, S.K, Kozielski, F. | | Deposit date: | 2018-09-09 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 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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6FMP
 | | Keap1 - peptide complex | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ACY-ASP-GLU-GLU-THR-GLY-GLU-PHE, ... | | Authors: | Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D. | | Deposit date: | 2018-02-01 | | Release date: | 2018-08-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Modified Peptide Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction Incorporating Unnatural Amino Acids.
Chembiochem, 19, 2018
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6FMQ
 | | Keap1 - peptide complex | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ACY-SC1-GLU-THR-GLY-GLU-LEU, ... | | Authors: | Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D. | | Deposit date: | 2018-02-02 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Modified Peptide Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction Incorporating Unnatural Amino Acids.
Chembiochem, 19, 2018
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6H80
 | | Dengue-RdRp3-inhibitor complex co-crystallisation | | Descriptor: | 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, DI(HYDROXYETHYL)ETHER, Genome polyprotein, ... | | Authors: | Talapatra, S.K, Kozielski, F. | | Deposit date: | 2018-07-31 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases.
Biol Open, 8, 2019
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4AP0
 | | The mitotic kinesin Eg5 in complex with Mg-ADP and ispinesib | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ISPINESIB MESILATE, ... | | Authors: | Schuettelkopf, A.W, Talapatra, S.K, Kozielski, F. | | Deposit date: | 2012-03-30 | | Release date: | 2012-09-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.594 Å) | | Cite: | The Structure of the Ternary Eg5-Adp-Ispinesib Complex
Acta Crystallogr.,Sect.D, 68, 2012
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4BEX
 | | Structure of human Cofilin1 | | Descriptor: | COFILIN-1 | | Authors: | Klejnot, M, Gabrielsen, M, Cameron, J, Mleczak, A, Talapatra, S.K, Kozielski, F, Pannifer, A, Olson, M.F. | | Deposit date: | 2013-03-12 | | Release date: | 2013-08-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Analysis of the Human Cofilin1 Structure Reveals Conformational Changes Required for Actin-Binding
Acta Crystallogr.,Sect.D, 69, 2013
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3ZCW
 | | Eg5 - New allosteric binding site | | Descriptor: | (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, ... | | Authors: | Ulaganathan, V, Talapatra, S.K, Kozielski, F, Pannifer, A.D. | | Deposit date: | 2012-11-23 | | Release date: | 2013-01-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.691 Å) | | Cite: | Structural Insights Into a Unique Inhibitor Binding Pocket in Kinesin Spindle Protein.
J.Am.Chem.Soc., 135, 2013
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4BBG
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