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PDB: 616 件

6FNA
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BU of 6fna by Molmil
Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular lysine-PEG interactions in proteins
分子名称: 14-3-3 protein zeta/delta, BENZOIC ACID, CALCIUM ION, ...
著者Bier, D, Ottmann, C.
登録日2018-02-02
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Mono- and Bivalent 14-3-3 Inhibitors for Characterizing Supramolecular "Lysine Wrapping" of Oligoethylene Glycol (OEG) Moieties in Proteins.
Chemistry, 24, 2018
6G8L
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BU of 6g8l by Molmil
14-3-3sigma in complex with a L132beta3L mutated YAP pS127 phosphopeptide
分子名称: 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-ALA-SER-BLE-GLN, CHLORIDE ION, ...
著者Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G.
登録日2018-04-09
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins.
Chem.Commun.(Camb.), 55, 2019
6FNB
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BU of 6fnb by Molmil
Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular lysine-PEG interactions in proteins
分子名称: 14-3-3 protein zeta/delta, BENZOIC ACID, CALCIUM ION, ...
著者Bier, D, Ottmann, C.
登録日2018-02-02
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mono- and Bivalent 14-3-3 Inhibitors for Characterizing Supramolecular "Lysine Wrapping" of Oligoethylene Glycol (OEG) Moieties in Proteins.
Chemistry, 24, 2018
6EIH
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BU of 6eih by Molmil
The crystal structure of 14-3-3 epsilon in complex with the phosphorylated NELFE peptide
分子名称: 14-3-3 protein epsilon, SER-ILE-SEP-ARG
著者Akutsu, M, Wagner, S.A, Beli, P.
登録日2017-09-19
公開日2018-02-14
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献p38-MK2 signaling axis regulates RNA metabolism after UV-light-induced DNA damage.
Nat Commun, 9, 2018
6GHP
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BU of 6ghp by Molmil
14-3-3sigma in complex with a TASK3 peptide stabilized by semi-synthetic natural product FC-NAc
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Potassium channel subfamily K member 9, ...
著者Andrei, S.A, de Vink, P.J, Brunsveld, L, Ottmann, C, Higuchi, Y.
登録日2018-05-08
公開日2018-08-01
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Rationally Designed Semisynthetic Natural Product Analogues for Stabilization of 14-3-3 Protein-Protein Interactions.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GKG
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BU of 6gkg by Molmil
Structure of 14-3-3 gamma in complex with caspase-2 14-3-3 binding motif Ser164
分子名称: 14-3-3 protein gamma, Caspase-2
著者Alblova, M, Obsil, T, Obsilova, V.
登録日2018-05-20
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.847 Å)
主引用文献14-3-3 protein masks the nuclear localization sequence of caspase-2.
FEBS J., 285, 2018
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
6RLZ
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BU of 6rlz by Molmil
Crystal Structure of 14-3-3zeta in complex with a macrocyclic 8-mer peptide derived from ExoS
分子名称: 14-3-3 protein zeta/delta, EtMe
著者Wallraven, K, Grossmann, T.N, Hennig, S.
登録日2019-05-03
公開日2020-03-18
最終更新日2020-03-25
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Adapting free energy perturbation simulations for large macrocyclic ligands: how to dissect contributions from direct binding and free ligand flexibility.
Chem Sci, 11, 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
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
6RX2
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BU of 6rx2 by Molmil
Fragment AZ-005 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-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2019-06-07
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献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
分子名称: 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-06-24
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
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
6S9K
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BU of 6s9k by Molmil
Structure of 14-3-3 gamma in complex with caspase-2 peptide containing 14-3-3 binding motif Ser139 and NLS
分子名称: 1,1,1,3,3,3-hexafluoropropan-2-ol, 14-3-3 protein gamma, Caspase-2
著者Alblova, M, Obsil, T, Obsilova, V.
登録日2019-07-15
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献14-3-3 protein binding blocks the dimerization interface of caspase-2.
Febs J., 287, 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
6SAD
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BU of 6sad by Molmil
Structure of 14-3-3 gamma in complex with double phosphorylated caspase-2 peptide on Ser139 and Ser164
分子名称: 14-3-3 protein gamma, Caspase-2
著者Kalabova, D, Obsil, T, Obsilova, V.
登録日2019-07-16
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.753 Å)
主引用文献14-3-3 protein binding blocks the dimerization interface of caspase-2.
Febs J., 287, 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
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

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件を2024-08-14に公開中

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