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7NSV
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BU of 7nsv by Molmil
14-3-3 sigma with p65 (RelA) binding site pS45 and covalently bound PC2046
分子名称: 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole, 14-3-3 protein sigma, GLYCEROL, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-03-08
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7NRK
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BU of 7nrk by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1002F1
分子名称: 14-3-3 protein sigma, 4-(4-methylimidazol-1-yl)benzaldehyde, CALCIUM ION, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-03-04
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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
6RM7
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BU of 6rm7 by Molmil
Fragment AZ-026 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Somsen, B, Wolter, M, Guillory, X, Genet, S, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-05
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
6QZR
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BU of 6qzr by Molmil
14-3-3 sigma in complex with FOXO1 pT24 peptide
分子名称: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Forkhead box protein O1, ...
著者Ottmann, C, Wolter, M, Lau, R.A.
登録日2019-03-12
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献AMPK and AKT protein kinases hierarchically phosphorylate the N-terminus of the FOXO1 transcription factor, modulating interactions with 14-3-3 proteins.
J.Biol.Chem., 294, 2019
6QZS
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BU of 6qzs by Molmil
14-3-3 sigma in complex with FOXO1 pS256 peptide
分子名称: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FOXO1 pS256 site, ...
著者Ottmann, C, Wolter, M, Lau, R.A.
登録日2019-03-12
公開日2019-07-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AMPK and AKT protein kinases hierarchically phosphorylate the N-terminus of the FOXO1 transcription factor, modulating interactions with 14-3-3 proteins.
J.Biol.Chem., 294, 2019
8PWL
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BU of 8pwl by Molmil
Cryo-EM structure of a full-length HACE1 dimer
分子名称: E3 ubiquitin-protein ligase HACE1
著者Duering, J, Wolter, M, Dienemann, C, Lorenz, S.
登録日2023-07-20
公開日2024-01-10
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (4.73 Å)
主引用文献Structural mechanisms of autoinhibition and substrate recognition by the ubiquitin ligase HACE1.
Nat.Struct.Mol.Biol., 31, 2024
6RJQ
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BU of 6rjq by Molmil
Fragment AZ-006 binding at the TAZpS89/14-3-3 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, TAZpS89
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C, Patel, J.
登録日2019-04-29
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
6RM5
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BU of 6rm5 by Molmil
Fragment AZ-016 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-(6-azanyl-5-methyl-pyridin-2-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2019-05-05
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
6S3C
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BU of 6s3c by Molmil
Fragment AZ-019 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-06-25
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
6S9Q
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BU of 6s9q by Molmil
Fragment AZ-004 binding at a primary and secondary site in a p53pT387/14-3-3 complex
分子名称: 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ...
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-07-15
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6SIN
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BU of 6sin by Molmil
Fragment AZ-020 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, Cellular tumor antigen p53, ~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, 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 (1.64 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6SIP
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BU of 6sip by Molmil
Fragment AZ-011 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-methoxy-1-benzothiophene-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 (1.600447 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6SIQ
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BU of 6siq by Molmil
Fragment AZ-012 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-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 (1.60121 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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
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
6RWI
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BU of 6rwi by Molmil
Fragment AZ-002 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-phenylthiophene-2-carboximidamide, CALCIUM ION, ...
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-06-05
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RKK
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BU of 6rkk by Molmil
Fragment AZ-021 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-phenyl-5-(phenylmethyl)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2019-04-30
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RWS
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BU of 6rws by Molmil
Fragment AZ-009 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, Cellular tumor antigen p53, ...
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-06-06
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020

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