6Y1V
| Mycobacterium tuberculosis FtsZ-GTP-gamma-S in complex with 4-hydroxycoumarin | Descriptor: | 4-HYDROXY-2H-CHROMEN-2-ONE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ, ... | Authors: | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | Deposit date: | 2020-02-13 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ. J.Mol.Biol., 433, 2021
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6Y1U
| Mycobacterium tuberculosis FtsZ-GDP in complex with 4-hydroxycoumarin | Descriptor: | 4-HYDROXY-2H-CHROMEN-2-ONE, Cell division protein FtsZ, DIMETHYL SULFOXIDE, ... | Authors: | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | Deposit date: | 2020-02-13 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ. J.Mol.Biol., 433, 2021
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6ZCT
| Nonstructural protein 10 (nsp10) from SARS CoV-2 | Descriptor: | ZINC ION, nsp10 | Authors: | Rogstam, A, Nyblom, M, Christensen, S, Sele, C, Lindvall, T, Rasmussen, A.A, Andre, I, Fisher, S.Z, Knecht, W, Kozielski, F. | Deposit date: | 2020-06-12 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2. Int J Mol Sci, 21, 2020
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6ZPE
| Nonstructural protein 10 (nsp10) from SARS CoV-2 | Descriptor: | CHLORIDE ION, GLYCEROL, Replicase polyprotein 1ab, ... | Authors: | Fisher, S.Z, Kozielski, F. | Deposit date: | 2020-07-08 | Release date: | 2020-10-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2. Int J Mol Sci, 21, 2020
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2FFQ
| The crystal structure of human neuronal Rab6B in its active GTPgS-bound form | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-6B | Authors: | Garcia-Saez, I, Tcherniuk, S, Kozielski, F. | Deposit date: | 2005-12-20 | Release date: | 2006-07-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The structure of human neuronal Rab6B in the active and inactive form. Acta Crystallogr.,Sect.D, 62, 2006
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7NFA
| The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer | Descriptor: | A33 Fab heavy chain, A33 Fab light chain | Authors: | Tang, J, Zhang, C, Dalby, P, Kozielski, F. | Deposit date: | 2021-02-05 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer To Be Published
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7NC0
| The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer | Descriptor: | A33 Fab heavy chain, A33 Fab light chain | Authors: | Tang, J, Zhang, C, Dalby, P, Kozielski, F. | Deposit date: | 2021-01-28 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer To Be Published
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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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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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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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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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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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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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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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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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2X7E
| Crystal structure of human kinesin Eg5 in complex with (R)-fluorastrol | Descriptor: | (4R)-5-[(S)-(3,4-DIFLUOROPHENYL)(HYDROXY)METHYL]-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-3,4-DIHYDROPYRIMIDINE-2(1H)-THIONE, 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 (2.4 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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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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2Y5W
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2Y65
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