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3OD5
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BU of 3od5 by Molmil
Crystal structure of active caspase-6 bound with Ac-VEID-CHO
分子名称: CACODYLATE ION, Caspase-6, peptide aldehyde inhibitor AC-VEID-CHO
著者Wang, X.-J, Liu, X, Wang, K.-T, Cao, Q, Su, X.-D.
登録日2010-08-11
公開日2010-10-27
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of human caspase 6 reveal a new mechanism for intramolecular cleavage self-activation
Embo Rep., 11, 2010
6M5F
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BU of 6m5f by Molmil
Crystal structure of HinK, a LysR family transcriptional regulator from Pseudomonas aeruginosa
分子名称: Probable transcriptional regulator
著者Wang, Y, Lan, L, Cao, Q, Gan, J, Wang, F.
登録日2020-03-10
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of HinK, a LysR family transcriptional regulator from Pseudomonas aeruginosa
To Be Published
5N1V
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BU of 5n1v by Molmil
Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N20
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BU of 5n20 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
3H42
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BU of 3h42 by Molmil
Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody
分子名称: Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ...
著者Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E.
登録日2009-04-17
公開日2009-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates.
Proc.Natl.Acad.Sci.USA, 106, 2009
6SLV
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BU of 6slv by Molmil
Fragment AZ-013 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P.
登録日2019-08-20
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6SIO
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BU of 6sio by Molmil
Fragment AZ-017 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-methyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-08-10
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.60418 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6SLX
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BU of 6slx by Molmil
Fragment AZ-010 binding at the TAZpS89/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, TAZpS89, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
著者Ottmann, C, Wolter, M, Guillory, X, Genet, S, Somsen, B, Leysen, S, Castaldi, P.
登録日2019-08-20
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.800045 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6SLW
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BU of 6slw by Molmil
Fragment AZ-004 binding at the TAZpS89/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, WW domain-containing transcription regulator protein 1
著者Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P.
登録日2019-08-20
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
1Z1L
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BU of 1z1l by Molmil
The Crystal Structure of the Phosphodiesterase 2A Catalytic Domain
分子名称: MAGNESIUM ION, PHOSPHATE ION, ZINC ION, ...
著者Ding, Y.H, Kohls, D, Low, C.
登録日2005-03-04
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Determinants for Inhibitor Specificity and Selectivity in PDE2A Using the Wheat Germ in Vitro Translation System.
Biochemistry, 44, 2005
5MHC
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BU of 5mhc by Molmil
Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide
分子名称: 14-3-3 protein sigma, CALCIUM ION, LYS-LEU-MET-PHE-LYS-TPO-GLU-GLY-PRO-ASP-SER-ASP, ...
著者Andrei, S, Ottmann, C, Leysen, S.
登録日2016-11-24
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
5MXO
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BU of 5mxo by Molmil
Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide stabilized by Fusicoccin-A
分子名称: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
著者Andrei, S, Ottmann, C, Leysen, S.
登録日2017-01-24
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
5MOC
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BU of 5moc by Molmil
Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Andrei, S, Ottmann, C, Leysen, S.
登録日2016-12-14
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
5N21
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BU of 5n21 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N1Z
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BU of 5n1z by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine macrocyclic ligand
分子名称: B-cell lymphoma 6 protein, CHLORIDE ION, pyrazolo-pyrimidine macrocycle
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N1X
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BU of 5n1x by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
8DU2
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BU of 8du2 by Molmil
HnRNPA2 D290V LCD PM1
分子名称: Heterogeneous nuclear ribonucleoproteins A2/B1
著者Eisenberg, D.S, Lu, J, Ge, P, Boyer, D.R.
登録日2022-07-26
公開日2023-08-02
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structures of the D290V mutant of the hnRNPA2 low-complexity domain suggests how D290V affects phase separation and aggregation.
J.Biol.Chem., 300, 2023
8DUW
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BU of 8duw by Molmil
HnRNPA2 D290V LCD PM2
分子名称: Heterogeneous nuclear ribonucleoproteins A2/B1
著者Eisenberg, D.S, Lu, J, Ge, P, Boyer, D.R.
登録日2022-07-27
公開日2023-08-02
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures of the D290V mutant of the hnRNPA2 low-complexity domain suggests how D290V affects phase separation and aggregation.
J.Biol.Chem., 300, 2023
8EC7
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BU of 8ec7 by Molmil
HnRNPA2 D290V LCD PM3
分子名称: Heterogeneous nuclear ribonucleoproteins A2/B1
著者Eisenberg, D.S, Lu, J, Ge, P, Boyer, D.R.
登録日2022-09-01
公開日2023-09-06
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures of the D290V mutant of the hnRNPA2 low-complexity domain suggests how D290V affects phase separation and aggregation.
J.Biol.Chem., 300, 2023
6R5L
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BU of 6r5l by Molmil
Fragment AZ-006 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-03-25
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.884 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RK8
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BU of 6rk8 by Molmil
Fragment AZ-014 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-04-30
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RL3
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BU of 6rl3 by Molmil
Fragment AZ-003 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-01
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RL6
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BU of 6rl6 by Molmil
Fragment AZ-024 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Cellular tumor antigen p53, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-01
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RP6
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BU of 6rp6 by Molmil
Fragment AZ-019 binding at the TAZpS89/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CALCIUM ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-14
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RJL
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BU of 6rjl by Molmil
Fragment AZ-018 binding at the TAZpS89/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, TAZpS89
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-04-27
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020

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