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3KIN
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BU of 3kin by Molmil
KINESIN (DIMERIC) FROM RATTUS NORVEGICUS
分子名称: ADENOSINE-5'-DIPHOSPHATE, KINESIN HEAVY CHAIN
著者Kozielski, F, Sack, S, Marx, A, Thormahlen, M, Schonbrunn, E, Biou, V, Thompson, A, Mandelkow, E.-M, Mandelkow, E.
登録日1997-08-25
公開日1998-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
分子名称: 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者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.
登録日2021-06-06
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者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.
登録日2021-06-06
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献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
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者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.
登録日2021-06-06
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者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.
登録日2021-06-06
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献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
分子名称: ADENOSINE-5'-DIPHOSPHATE, Centromeric protein E, MAGNESIUM ION, ...
著者Garcia-Saez, I, Yen, T, Wade, R.H, Kozielski, F, Structural Proteomics in Europe (SPINE)
登録日2004-05-04
公開日2005-05-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the motor domain of the human kinetochore protein CENP-E.
J.Mol.Biol., 340, 2004
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
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Kinesin-like protein KIF11, ...
著者Garcia-Saez, I, Kozielski, F.
登録日2006-09-19
公開日2007-01-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of human Eg5 in complex with a new monastrol-based inhibitor bound in the R configuration.
J.Biol.Chem., 282, 2007
8A4Y
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BU of 8a4y by Molmil
SARS-CoV-2 non-structural protein-1 (nsp1) in complex with N-(2,3-dihydro-1H-inden-5-yl)acetamide
分子名称: Host translation inhibitor nsp1, N-(2,3-dihydro-1H-inden-5-yl)acetamide
著者Borsatto, A, Galdadas, I, Ma, S, Damfo, S, Haider, S, Kozielski, F, Estarellas, C, Gervasio, F.L.
登録日2022-06-13
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.099 Å)
主引用文献Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other beta-coronaviruses by simulations and crystallography.
Elife, 11, 2022
8A55
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BU of 8a55 by Molmil
Structure of N-terminal SARS-CoV-2 nonstructural protein 1 (nsp1) at atomic resolution
分子名称: Host translation inhibitor nsp1
著者Ma, S, Pinotsis, N, Bowler, M.W, Kozielski, F.
登録日2022-06-14
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献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
2KIN
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BU of 2kin by Molmil
KINESIN (MONOMERIC) FROM RATTUS NORVEGICUS
分子名称: ADENOSINE-5'-DIPHOSPHATE, KINESIN, SULFATE ION
著者Sack, S, Muller, J, Kozielski, F, Marx, A, Thormahlen, M, Biou, V, Mandelkow, E.-M, Brady, S.T, Mandelkow, E.
登録日1997-04-28
公開日1998-04-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of motor and neck domains from rat brain kinesin.
Biochemistry, 36, 1997
6FMP
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BU of 6fmp by Molmil
Keap1 - peptide complex
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ACY-ASP-GLU-GLU-THR-GLY-GLU-PHE, ...
著者Talapatra, S.K, Kozielski, F, Wells, G, Georgakopoulos, N.D.
登録日2018-02-01
公開日2018-08-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Modified Peptide Inhibitors of the Keap1-Nrf2 Protein-Protein Interaction Incorporating Unnatural Amino Acids.
Chembiochem, 19, 2018
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
分子名称: Host translation inhibitor nsp1, ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine
著者Ma, S, Mykhaylyk, V, Pinotsis, N, Bowler, M.W, Kozielski, F.
登録日2023-03-08
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献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
分子名称: (1~{R})-1-(4-chlorophenyl)ethanamine, Host translation inhibitor nsp1
著者Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F.
登録日2023-03-08
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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
分子名称: 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine, Host translation inhibitor nsp1
著者Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F.
登録日2023-03-08
公開日2023-10-04
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献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
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab, ...
著者Wang, H, Rizvi, S.R.A, Dong, D, Lou, J, Wang, Q, Sopipong, W, Najar, F, Agarwal, P.K, Kozielski, F, Haider, S.
登録日2022-12-15
公開日2023-12-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献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
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
分子名称: A33 Fab heavy chain, A33 Fab light chain
著者Tang, J, Zhang, C, Dalby, P, Kozielski, F.
登録日2021-01-28
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: A33 Fab heavy chain, A33 Fab light chain
著者Tang, J, Zhang, C, Dalby, P, Kozielski, F.
登録日2021-02-05
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of the humanised A33 Fab C226S variant, an immunotherapy candidate for colorectal cancer
To Be Published
8RFF
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BU of 8rff by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 6A6 refined against the anomalous diffraction data
分子名称: 1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献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
8RF8
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BU of 8rf8 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL6 refined against the anomalous diffraction data
分子名称: 6-bromanyl-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献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
8RF4
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BU of 8rf4 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 9D4 refined against the anomalous diffraction data
分子名称: 4-chloranyl-1~{H}-indazol-3-amine, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献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
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
分子名称: 1-benzothiophen-5-amine, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献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
分子名称: (1~{R})-1-(4-bromophenyl)ethanamine, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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
分子名称: (1~{R})-1-(4-iodophenyl)ethanamine, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献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
分子名称: 6-iodanyl-2,3-dihydro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献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
8RF5
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BU of 8rf5 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7 refined against the anomalous diffraction data
分子名称: 6-fluoro-1,3-benzothiazol-2-amine, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献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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