8A55
 
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8AZ8
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 2-(benzylamino)ethan-1-ol | | Descriptor: | 2-[(phenylmethyl)amino]ethanol, Host translation inhibitor nsp1 | | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2022-09-05 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
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8AYS
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 4-(2-aminothiazol-4-yl)phenol | | Descriptor: | 4-(2-amino-1,3-thiazol-4-yl)phenol, Host translation inhibitor nsp1 | | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2022-09-03 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
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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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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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2XAE
 | | Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((S)-2-methyl-1,1-diphenylbutylthio)propanoic acid | | Descriptor: | (2R)-2-AMINO-3-[(4-CHLOROPHENYL)-DIPHENYL-METHYL]SULFANYL-PROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Kaan, H.Y.K, Weiss, J, Menger, D, Ulaganathan, V, Tkocz, K, Laggner, C, Popowycz, F, Joseph, B, Kozielski, F. | | Deposit date: | 2010-03-31 | | Release date: | 2011-03-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Activity Relationship and Multidrug Resistance Study of New S-Trityl-L-Cysteine Derivatives as Inhibitors of Eg5.
J.Med.Chem., 54, 2011
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2X2R
 | | Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((4-chlorophenyl)diphenylmethylthio)propanoic acid | | Descriptor: | (2R)-2-AMINO-3-[(2R)-2-METHYL-1,1-DIPHENYL-BUTYL]SULFANYL-PROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | | Authors: | Kaan, H.Y.K, Weiss, J, Menger, D, Ulaganathan, V, Laggner, C, Popowycz, F, Joseph, B, Kozielski, F. | | Deposit date: | 2010-01-15 | | Release date: | 2011-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-Activity Relationship and Multidrug Resistance Study of New S-Trityl-L-Cysteine Derivatives as Inhibitors of Eg5.
J.Med.Chem., 54, 2011
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2E9S
 | | human neuronal Rab6B in three intermediate forms | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NITRATE ION, ... | | Authors: | Vellieux, F.M, Tcherniuk, S, Garcia-Saez, I, Kozielski, F. | | Deposit date: | 2007-01-26 | | Release date: | 2008-01-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | 3D structure of human neuronal Rab6B in three intermediate forms
To be Published
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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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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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2FE4
 | | The crystal structure of human neuronal Rab6B in its inactive GDP-bound form | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NITRATE ION, ... | | Authors: | Garcia-Saez, I, Tcherniuk, F, Kozielski, F. | | Deposit date: | 2005-12-15 | | Release date: | 2006-07-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of human neuronal Rab6B in the active and inactive form.
Acta Crystallogr.,Sect.D, 62, 2006
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4A51
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4A50
 | | Crystal structure of human kinesin Eg5 in complex with 2-Amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid | | Descriptor: | (2R)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID, (2S)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kaan, H.Y.K, Kozielski, F. | | Deposit date: | 2011-10-24 | | Release date: | 2012-10-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Triphenylbutanamines: Kinesin Spindle Protein Inhibitors with in Vivo Antitumor Activity.
J.Med.Chem., 55, 2012
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4BBG
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2X7C
 | | Crystal structure of human kinesin Eg5 in complex with (S)-enastron | | Descriptor: | (S)-4-(3-HYDROXYPHENYL)-2-THIOXO-1,2,3,4,7,8-HEXAHYDROQUINAZOLIN-5(6H)-ONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | | Authors: | Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F. | | Deposit date: | 2010-02-26 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
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2X7D
 | | Crystal structure of human kinesin Eg5 in complex with (S)-dimethylenastron | | Descriptor: | (4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | | Authors: | Kaan, H.Y.K, Ulaganathan, V, Rath, O, Laggner, C, Prokopcova, H, Dallinger, D, Kappe, C.O, Kozielski, F. | | Deposit date: | 2010-02-26 | | Release date: | 2010-07-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Inhibition of Eg5 by Dihydropyrimidines: Stereoselectivity of Antimitotic Inhibitors Enastron, Dimethylenastron and Fluorastrol.
J.Med.Chem., 53, 2010
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2WOG
 | | Intermediate and final states of human kinesin Eg5 in complex with S-trityl-L-cysteine | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION, ... | | Authors: | Kaan, H.Y.K, Ulaganathan, V, Hackney, D.D, Kozielski, F. | | Deposit date: | 2009-07-23 | | Release date: | 2010-08-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An Allosteric Transition Trapped in an Intermediate State of a New Kinesin-Inhibitor Complex.
Biochem.J., 425, 2010
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2XT3
 | | HUMAN KIF7, A KINESIN INVOLVED IN HEDGEHOG SIGNALLING | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF7, MAGNESIUM ION | | Authors: | Klejnot, M, Kozielski, F. | | Deposit date: | 2010-10-04 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-20 | | 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
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7ORR
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022 | | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | Deposit date: | 2021-06-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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7ORV
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | Deposit date: | 2021-06-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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7ORU
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | Deposit date: | 2021-06-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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7ORW
 | | Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265 | | Descriptor: | 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | | Deposit date: | 2021-06-06 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
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2Y5W
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