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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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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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: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Keap1-inhibitor complex To Be Published
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9FWP
 
 | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00198 | Descriptor: | Guanine-N7 methyltransferase nsp14, MAGNESIUM ION, N-methylbenzamide, ... | Authors: | Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W. | Deposit date: | 2024-06-30 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (2.381 Å) | Cite: | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00198 To Be Published
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9FWH
 
 | Crystal Structure of SARS-CoV-2 NSP10-ExoN in complex with VT00019 | Descriptor: | (4R)-4-phenyl-1,2-thiazolidine 1,1-dioxide, Guanine-N7 methyltransferase nsp14, Non-structural protein 10, ... | Authors: | Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W. | Deposit date: | 2024-06-30 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal Structure of SARS-CoV-2 NSP10-ExoN in complex with VT00019 To Be Published
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9FWQ
 
 | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00218 | Descriptor: | 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine, Guanine-N7 methyltransferase nsp14, MAGNESIUM ION, ... | Authors: | Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W. | Deposit date: | 2024-06-30 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (2.322 Å) | Cite: | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00218 To Be Published
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9FWU
 
 | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00421 | Descriptor: | DIMETHYL SULFOXIDE, Guanine-N7 methyltransferase nsp14, N,N-dimethyl-3-oxidanyl-benzamide, ... | Authors: | Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W. | Deposit date: | 2024-06-30 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (1.425 Å) | Cite: | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00421 To Be Published
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9FWO
 
 | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00216 | Descriptor: | 1-methylpyrrole-2-carboxamide, Guanine-N7 methyltransferase nsp14, MAGNESIUM ION, ... | Authors: | Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W. | Deposit date: | 2024-06-30 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (2.179 Å) | Cite: | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00216 To Be Published
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9FWL
 
 | Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00025 | Descriptor: | 3-phenylthiophene-2-carboxamide, DIMETHYL SULFOXIDE, Guanine-N7 methyltransferase nsp14, ... | Authors: | Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W. | Deposit date: | 2024-06-30 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00025 To Be Published
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9FWJ
 
 | Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00079 | Descriptor: | 2-methoxybenzamide, Guanine-N7 methyltransferase nsp14, MAGNESIUM ION, ... | Authors: | Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W. | Deposit date: | 2024-06-30 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (2.424 Å) | Cite: | Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00079 To Be Published
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9FWN
 
 | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00219 | Descriptor: | 1-methyl-1-(phenylmethyl)urea, DIMETHYL SULFOXIDE, Guanine-N7 methyltransferase nsp14, ... | Authors: | Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W. | Deposit date: | 2024-06-30 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (1.866 Å) | Cite: | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00219 To Be Published
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9FWM
 
 | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00180 | Descriptor: | 1H-indole-3-carboxamide, DIMETHYL SULFOXIDE, Guanine-N7 methyltransferase nsp14, ... | Authors: | Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W. | Deposit date: | 2024-06-30 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (1.574 Å) | Cite: | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00180 To Be Published
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9FWS
 
 | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00258 | Descriptor: | 7-METHOXY-1H-INDAZOLE, DIMETHYL SULFOXIDE, Guanine-N7 methyltransferase nsp14, ... | Authors: | Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W. | Deposit date: | 2024-06-30 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (1.433 Å) | Cite: | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00258 To Be Published
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9FWT
 
 | Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00259 | Descriptor: | DIMETHYL SULFOXIDE, Guanine-N7 methyltransferase nsp14, Non-structural protein 10, ... | Authors: | Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W. | Deposit date: | 2024-06-30 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (1.639 Å) | Cite: | Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00259 To Be Published
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9FWR
 
 | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00249 | Descriptor: | (4R)-4-phenyl-1,3-oxazolidin-2-one, Guanine-N7 methyltransferase nsp14, MAGNESIUM ION, ... | Authors: | Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W. | Deposit date: | 2024-06-30 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Crystal Structure of SARS-CoV-2 NSP10-NSP14 (ExoN) in complex with VT00249 To Be Published
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9FWI
 
 | Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00025 | Descriptor: | (3-oxidanylazetidin-1-yl)-phenyl-methanone, DIMETHYL SULFOXIDE, Guanine-N7 methyltransferase nsp14, ... | Authors: | Krojer, T, Kozielski, F, Sele, C, Nyblom, M, Fisher, S.Z, Knecht, W. | Deposit date: | 2024-06-30 | Release date: | 2025-07-09 | Method: | X-RAY DIFFRACTION (1.533 Å) | Cite: | Ensemble model of ligand-free SARS-CoV-2 NSP10-NSP14 (ExoN) and in complex with partially bound VT00025 To Be Published
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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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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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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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2Y5W
 
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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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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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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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4A14
 
 | 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: | 2011-09-14 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | 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
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