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3KIN
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BU of 3kin by Molmil
KINESIN (DIMERIC) FROM RATTUS NORVEGICUS
Descriptor: ADENOSINE-5'-DIPHOSPHATE, KINESIN HEAVY CHAIN
Authors:Kozielski, F, Sack, S, Marx, A, Thormahlen, M, Schonbrunn, E, Biou, V, Thompson, A, Mandelkow, E.-M, Mandelkow, E.
Deposit date:1997-08-25
Release date:1998-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The crystal structure of dimeric kinesin and implications for microtubule-dependent motility.
Cell(Cambridge,Mass.), 91, 1997
7ORW
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BU of 7orw by Molmil
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
7ORU
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BU of 7oru by Molmil
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
7ORV
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BU of 7orv by Molmil
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
7ORR
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BU of 7orr by Molmil
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
1T5C
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BU of 1t5c by Molmil
Crystal structure of the motor domain of human kinetochore protein CENP-E
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Centromeric protein E, MAGNESIUM ION, ...
Authors:Garcia-Saez, I, Yen, T, Wade, R.H, Kozielski, F, Structural Proteomics in Europe (SPINE)
Deposit date:2004-05-04
Release date:2005-05-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the motor domain of the human kinetochore protein CENP-E.
J.Mol.Biol., 340, 2004
8CRF
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BU of 8crf by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 5E11 refined against anomalous diffraction data
Descriptor: Host translation inhibitor nsp1, ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine
Authors:Ma, S, Mykhaylyk, V, Pinotsis, N, Bowler, M.W, Kozielski, F.
Deposit date:2023-03-08
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1.
Int J Mol Sci, 24, 2023
8CRM
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BU of 8crm by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11C6 refined against anomalous diffraction data
Descriptor: 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine, Host translation inhibitor nsp1
Authors:Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F.
Deposit date:2023-03-08
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1.
Int J Mol Sci, 24, 2023
8CRK
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BU of 8crk by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2 refined against anomalous diffraction data
Descriptor: (1~{R})-1-(4-chlorophenyl)ethanamine, Host translation inhibitor nsp1
Authors:Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F.
Deposit date:2023-03-08
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1.
Int J Mol Sci, 24, 2023
8BZN
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BU of 8bzn by Molmil
SARS-CoV-2 non-structural protein 10 (nsp10) variant T102I
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab, ...
Authors:Wang, H, Rizvi, S.R.A, Dong, D, Lou, J, Wang, Q, Sopipong, W, Najar, F, Agarwal, P.K, Kozielski, F, Haider, S.
Deposit date:2022-12-15
Release date:2023-12-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16.
Elife, 12, 2023
2X7E
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BU of 2x7e by Molmil
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
2X7D
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BU of 2x7d by Molmil
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
2Y5W
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BU of 2y5w by Molmil
Crystal structure of Drosophila melanogaster kinesin-1 motor domain dimer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, KINESIN HEAVY CHAIN, MAGNESIUM ION
Authors:Kaan, H.Y.K, Hackney, D.D, Kozielski, F.
Deposit date:2011-01-18
Release date:2011-08-24
Last modified:2023-12-20
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
2KIN
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BU of 2kin by Molmil
KINESIN (MONOMERIC) FROM RATTUS NORVEGICUS
Descriptor: ADENOSINE-5'-DIPHOSPHATE, KINESIN, SULFATE ION
Authors:Sack, S, Muller, J, Kozielski, F, Marx, A, Thormahlen, M, Biou, V, Mandelkow, E.-M, Brady, S.T, Mandelkow, E.
Deposit date:1997-04-28
Release date:1998-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of motor and neck domains from rat brain kinesin.
Biochemistry, 36, 1997
2IEH
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BU of 2ieh by Molmil
Crystal structure of human kinesin Eg5 in complex with (R)-mon97, a new monastrol-based inhibitor that binds as (R)-enantiomer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Kinesin-like protein KIF11, ...
Authors:Garcia-Saez, I, Kozielski, F.
Deposit date:2006-09-19
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of human Eg5 in complex with a new monastrol-based inhibitor bound in the R configuration.
J.Biol.Chem., 282, 2007
7NC0
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BU of 7nc0 by Molmil
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
7NFA
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BU of 7nfa by Molmil
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
5NJV
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BU of 5njv by Molmil
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
5NJU
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BU of 5nju by Molmil
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
2XT3
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BU of 2xt3 by Molmil
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
2Y65
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BU of 2y65 by Molmil
Crystal structure of Drosophila melanogaster kinesin-1 motor domain dimer-tail complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, KINESIN HEAVY CHAIN, MAGNESIUM ION
Authors:Kaan, H.Y.K, Hackney, D.D, Kozielski, F.
Deposit date:2011-01-19
Release date:2011-08-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of the Kinesin-1 Motor-Tail Complex Reveals the Mechanism of Autoinhibition.
Science, 333, 2011
8RF2
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BU of 8rf2 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 1E7 refined against the anomalous diffraction data
Descriptor: 1-benzothiophen-5-amine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
8RFC
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BU of 8rfc by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL1 refined against the anomalous diffraction data
Descriptor: (1~{R})-1-(4-bromophenyl)ethanamine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
8RFD
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BU of 8rfd by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL2 refined against the anomalous diffraction data
Descriptor: (1~{R})-1-(4-iodophenyl)ethanamine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
8RF6
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BU of 8rf6 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL5 refined against the anomalous diffraction data
Descriptor: 6-iodanyl-2,3-dihydro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
Authors:Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
Deposit date:2023-12-12
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024

 

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