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5ZGD
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BU of 5zgd by Molmil
hnRNPA1 reversible amyloid core GFGGNDNFG (residues 209-217) determined by X-ray
Descriptor: GLY-PHE-GLY-GLY-ASN-ASP-ASN-PHE-GLY
Authors:Gui, X, Xie, M, Zhao, M, Luo, F, He, J, Li, D, Liu, C.
Deposit date:2018-03-08
Release date:2019-04-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
6Y7T
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BU of 6y7t by Molmil
Engineered conjugation of lysine-specific molecular tweezers with ExoS derived peptidic inhibitor enhance affinity towards target protein 14-3-3 through ditopic binding
Descriptor: 14-3-3 protein sigma, ExoSTWZ molecular tweezer, Exoenzyme S, ...
Authors:Guillory, X, Ottmann, C.
Deposit date:2020-03-02
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Supramolecular Enhancement of a Natural 14-3-3 Protein Ligand.
J.Am.Chem.Soc., 143, 2021
6J60
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BU of 6j60 by Molmil
hnRNP A1 reversible amyloid core GFGGNDNFG (residues 209-217)
Descriptor: 9-mer peptide (GFGGNDNFG) from Heterogeneous nuclear ribonucleoprotein A1
Authors:Luo, F, Zhou, H, Gui, X, Li, D, Li, X, Liu, C.
Deposit date:2019-01-12
Release date:2019-04-03
Last modified:2024-03-27
Method:ELECTRON CRYSTALLOGRAPHY (0.96 Å)
Cite:Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
5ZGL
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BU of 5zgl by Molmil
hnRNP A1 segment GGGYGGS (residues 234-240)
Descriptor: 7-mer peptide from Heterogeneous nuclear ribonucleoprotein A1
Authors:Xie, M, Luo, F, Gui, X, Zhao, M, He, J, Li, D, Liu, C.
Deposit date:2018-03-09
Release date:2019-04-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly.
Nat Commun, 10, 2019
6SIN
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BU of 6sin by Molmil
Fragment AZ-020 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, Cellular tumor antigen p53, ~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-08-10
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 7-methoxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-08-10
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.600447 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-08-10
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.60121 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P.
Deposit date:2019-08-20
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, WW domain-containing transcription regulator protein 1
Authors:Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P.
Deposit date:2019-08-20
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 5-methyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-08-10
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.60418 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, TAZpS89, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
Authors:Ottmann, C, Wolter, M, Guillory, X, Genet, S, Somsen, B, Leysen, S, Castaldi, P.
Deposit date:2019-08-20
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.800045 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6R5L
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BU of 6r5l by Molmil
Fragment AZ-006 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
Deposit date:2019-03-25
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.884 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-04-30
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.602 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-05-01
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Cellular tumor antigen p53, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-05-01
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-04-30
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 5-phenylthiophene-2-carboximidamide, CALCIUM ION, ...
Authors:Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-06-05
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, Cellular tumor antigen p53, ...
Authors:Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-06-06
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CALCIUM ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-05-14
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6S39
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BU of 6s39 by Molmil
Fragment AZ-018 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
Deposit date:2019-06-24
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RWU
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BU of 6rwu by Molmil
Fragment AZ-010 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, Cellular tumor antigen p53, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
Authors:Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-06-06
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6S40
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BU of 6s40 by Molmil
Fragment AZ-001 binding at the p53pT387/14-3-3 sigma interface and additional sites
Descriptor: 14-3-3 protein sigma, 4-chloranyl-1-benzothiophene-2-carboximidamide, CALCIUM ION, ...
Authors:Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-06-26
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RJQ
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BU of 6rjq by Molmil
Fragment AZ-006 binding at the TAZpS89/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, TAZpS89
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C, Patel, J.
Deposit date:2019-04-29
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.885 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-05-05
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.884 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, TAZpS89
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-04-27
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020

 

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