Author results

6H80
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DENGUE-RDRP3-INHIBITOR COMPLEX CO-CRYSTALLISATION
Descriptor:Genome polyprotein, 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, ZINC ION, ...
Authors:Talapatra, S.K., Kozielski, F.
Deposit date:2018-07-31
Release date:2019-03-13
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
6H9R
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DENGUE-RDRP3-INHIBITOR COMPLEX SOAKING
Descriptor:Genome polyprotein, 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, ZINC ION, ...
Authors:Talapatra, S.K., Kozielski, F.
Deposit date:2018-08-05
Release date:2019-03-13
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
6FMP
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KEAP1 - PEPTIDE COMPLEX
Descriptor:Kelch-like ECH-associated protein 1, ACY-ASP-GLU-GLU-THR-GLY-GLU-PHE, ACETATE ION, ...
Authors:Talapatra, S.K., Kozielski, F., Wells, G., Georgakopoulos, N.D.
Deposit date:2018-02-01
Release date:2018-08-08
Last modified:2018-09-12
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
6FMQ
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KEAP1 - PEPTIDE COMPLEX
Descriptor:Kelch-like ECH-associated protein 1, ACY-SC1-GLU-THR-GLY-GLU-LEU, 1,2-ETHANEDIOL, ...
Authors:Talapatra, S.K., Kozielski, F., Wells, G., Georgakopoulos, N.D.
Deposit date:2018-02-02
Release date:2018-08-08
Last modified:2018-09-12
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
6G6Y
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EG5-INHIBITOR COMPLEX
Descriptor:Kinesin-like protein KIF11, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Talapatra, S.K., Kozielski, F., Tham, C.L.
Deposit date:2018-04-03
Release date:2018-08-08
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
6G6Z
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EG5-INHIBITOR COMPLEX
Descriptor:Kinesin-like protein KIF11, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Talapatra, S.K., Kozielski, F., Tham, C.L.
Deposit date:2018-04-04
Release date:2018-08-08
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
5NJU
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FLAVIVIRUS NS5 DOMAIN
Descriptor:Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, MAGNESIUM ION
Authors:Talapatra, S.K., Chatrin, C., Kozielski, F.
Deposit date:2017-03-29
Release date:2018-01-24
Last modified:2018-04-25
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
5NJV
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FLAVIVIRUS NS5 DOMAIN
Descriptor:NS5, S-ADENOSYLMETHIONINE, CHLORIDE ION
Authors:Talapatra, S.K., Chatrin, C., Kozielski, F.
Deposit date:2017-03-29
Release date:2018-01-24
Last modified:2018-04-18
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
4BN2
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THE CRYSTAL STRUCTURE OF KINESIN-LIKE PROTEIN KIF15
Descriptor:KINESIN-LIKE PROTEIN KIF15, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Klejnot, M., Falnikar, A., Ulaganathan, V., Cross, R., Baas, P., Kozielski, F.
Deposit date:2013-05-13
Release date:2014-01-15
Last modified:2014-01-22
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:The Crystal Structure and Biochemical Characterization of Kif15: A Bifunctional Molecular Motor Involved in Bipolar Spindle Formation and Neuronal Development
Acta Crystallogr.,Sect.D, 70, 2014
4BEX
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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:2013-09-18
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
4B7B
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EG5-3
Descriptor:KINESIN-LIKE PROTEIN KIF11, ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, ...
Authors:Talapatra, S.K., Kozielski, F.
Deposit date:2012-08-17
Release date:2013-07-31
Last modified:2013-09-04
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
4BXN
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EG5(WT) COMPLEX
Descriptor:KINESIN-LIKE PROTEIN KIF11, ADENOSINE-5'-DIPHOSPHATE, CADMIUM 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:2014-09-17
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
4AS7
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EG5 COMPLEX 1
Descriptor:KINESIN-LIKE PROTEIN KIF11, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Talapatra, S.K., Kozielski, F.
Deposit date:2012-04-29
Release date:2013-05-15
Last modified:2013-09-04
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
4BBG
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CRYSTAL STRUCTURE OF HUMAN KINESIN EG5 IN COMPLEX WITH 3-(((2-AMINOETHYL)SULFANYL)(3-ETHYLPHENYL) PHENYLMETHYL)PHENOL
Descriptor:KINESIN-LIKE PROTEIN KIF11, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kaan, H.Y.K., Kozielski, F.
Deposit date:2012-09-22
Release date:2013-05-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Optimized S-Trityl-L-Cysteine-Based Inhibitors of Kinesin Spindle Protein with Potent in Vivo Antitumor Activity in Lung Cancer Xenograft Models.
J.Med.Chem., 56, 2013
3ZCW
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EG5 - NEW ALLOSTERIC BINDING SITE
Descriptor:KINESIN-LIKE PROTEIN KIF11, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ulaganathan, V., Talapatra, S.K., Kozielski, F., Pannifer, A.D.
Deposit date:2012-11-23
Release date:2013-01-23
Last modified:2013-02-27
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
4A5Y
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INTERMEDIATE STATE OF HUMAN KINESIN EG5 IN COMPLEX WITH ISPINESIB
Descriptor:KINESIN-LIKE PROTEIN KIF11, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Kaan, H.Y.K., Kozielski, F.
Deposit date:2011-10-29
Release date:2012-11-07
Last modified:2015-05-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:"Snapshots" of Ispinesib-Induced Conformational Changes in the Mitotic Kinesin Eg5.
J.Biol.Chem., 288, 2013
4A1Z
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EG5-1
Descriptor:KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION, NITRATE ION, ...
Authors:Talapatra, S.K., Kozielski, F.
Deposit date:2011-09-20
Release date:2012-10-31
Last modified:2013-09-04
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
4A28
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EG5-2
Descriptor:KINESIN-LIKE PROTEIN KIF11, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Talapatra, S.K., Kozielski, F.
Deposit date:2011-09-22
Release date:2012-10-31
Last modified:2013-09-04
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
4A50
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CRYSTAL STRUCTURE OF HUMAN KINESIN EG5 IN COMPLEX WITH 2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPENTANOIC ACID
Descriptor:KINESIN-LIKE PROTEIN KIF11, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kaan, H.Y.K., Kozielski, F.
Deposit date:2011-10-24
Release date:2012-10-31
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity.
J.Med.Chem., 55, 2012
4A51
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CRYSTAL STRUCTURE OF HUMAN KINESIN EG5 IN COMPLEX WITH 1-(3-(((2-AMINOETHYL)THIO)DIPHENYLMETHYL)PHENYL)ETHANONE HYDROCHLORIDE
Descriptor:KINESIN-LIKE PROTEIN KIF11, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kaan, H.Y.K., Kozielski, F.
Deposit date:2011-10-24
Release date:2012-10-31
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity.
J.Med.Chem., 55, 2012
4AP0
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THE MITOTIC KINESIN EG5 IN COMPLEX WITH MG-ADP AND ISPINESIB
Descriptor:KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Schuettelkopf, A.W., Talapatra, S.K., Kozielski, F.
Deposit date:2012-03-30
Release date:2012-09-26
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:The Structure of the Ternary Eg5-Adp-Ispinesib Complex
Acta Crystallogr.,Sect.D, 68, 2012
4A14
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HUMAN KIF7, A KINESIN INVOLVED IN HEDGEHOG SIGNALLING
Descriptor:KINESIN-LIKE PROTEIN KIF7, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Klejnot, M., Kozielski, F.
Deposit date:2011-09-14
Release date:2012-01-25
Last modified:2012-02-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights Into Human Kif7, a Kinesin Involved in Hedgehog Signalling.
Acta Crystallogr.,Sect.D, 68, 2012
3PYM
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STRUCTURE OF GAPDH 3 FROM S.CEREVISIAE AT 2.0 A RESOLUTION
Descriptor:Glyceraldehyde-3-phosphate dehydrogenase 3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, MESO-ERYTHRITOL, ...
Authors:Garcia-Saez, I., Kozielski, F., Job, D., Boscheron, C.
Deposit date:2010-12-13
Release date:2012-01-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:

2XT3
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HUMAN KIF7, A KINESIN INVOLVED IN HEDGEHOG SIGNALLING
Descriptor:KINESIN-LIKE PROTEIN KIF7, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Klejnot, M., Kozielski, F.
Deposit date:2010-10-04
Release date:2011-12-14
Last modified:2012-02-15
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Structural Insights Into Human Kif7, a Kinesin Involved in Hedgehog Signalling.
Acta Crystallogr.,Sect.D, 68, 2012
2Y5W
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CRYSTAL STRUCTURE OF DROSOPHILA MELANOGASTER KINESIN-1 MOTOR DOMAIN DIMER
Descriptor:KINESIN HEAVY CHAIN, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Kaan, H.Y.K., Hackney, D.D., Kozielski, F.
Deposit date:2011-01-18
Release date:2011-08-24
Last modified:2011-08-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Structure of the Kinesin-1 Motor-Tail Complex Reveals the Mechanism of Autoinhibition.
Science, 333, 2011
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