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5QSJ
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BU of 5qsj by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z198194394
分子名称: 4-(4-fluorophenyl)piperazine-1-carboxamide, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R4O
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BU of 5r4o by Molmil
PanDDA analysis group deposition of ground-state model of BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-25
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
1NLW
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BU of 1nlw by Molmil
Crystal structure of Mad-Max recognizing DNA
分子名称: 5'-D(*GP*AP*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*TP*C)-3', MAD PROTEIN, MAX PROTEIN
著者Nair, S.K, Burley, S.K.
登録日2003-01-07
公開日2003-02-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structures of Myc-Max and Mad-Max recognizing DNA: Molecular bases of regulation by proto-oncogenic transcription factors
Cell(Cambridge,Mass.), 112, 2003
5R4K
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BU of 5r4k by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000292a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF, ...
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7MFE
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BU of 7mfe by Molmil
Autoinhibited BRAF:(14-3-3)2 complex with the BRAF RBD resolved
分子名称: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf, ZINC ION
著者Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K.
登録日2021-04-09
公開日2022-01-26
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (4.07 Å)
主引用文献Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
5R4I
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BU of 5r4i by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000443a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide, DIMETHYL SULFOXIDE, ...
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7MFF
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BU of 7mff by Molmil
Dimeric (BRAF)2:(14-3-3)2 complex bound to SB590885 Inhibitor
分子名称: (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf
著者Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K.
登録日2021-04-09
公開日2022-01-26
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
7MFD
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BU of 7mfd by Molmil
Autoinhibited BRAF:(14-3-3)2:MEK complex with the BRAF RBD resolved
分子名称: 14-3-3 protein zeta/delta, Dual specificity mitogen-activated protein kinase kinase 1, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ...
著者Martinez Fiesco, J.A, Ping, Z, Durrant, D.E, Morrison, D.K.
登録日2021-04-09
公開日2022-01-26
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Structural insights into the BRAF monomer-to-dimer transition mediated by RAS binding.
Nat Commun, 13, 2022
5R4J
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BU of 5r4j by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000280a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, DIMETHYL SULFOXIDE, ...
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献PanDDA analysis group deposition
To Be Published
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
5R4M
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BU of 5r4m by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000513a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE, ...
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献PanDDA analysis group deposition
To Be Published
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
4YOO
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BU of 4yoo by Molmil
p107 pocket domain in complex with LIN52 P29A peptide
分子名称: LIN52 peptide, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, SULFATE ION
著者Guiley, K.Z, Liban, T.J, Felthousen, J.G, Ramanan, P, Tripathi, S, Litovchick, L, Rubin, S.M.
登録日2015-03-12
公開日2015-05-13
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural mechanisms of DREAM complex assembly and regulation.
Genes Dev., 29, 2015
5R4L
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BU of 5r4l by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000349a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide, ...
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献PanDDA analysis group deposition
To Be Published
4Y5I
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BU of 4y5i by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 126B with 14-3-3sigma
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Microtubule-associated protein tau
著者Leysen, S, Bartel, M, Milroy, L, Brunsveld, L, Ottmann, C.
登録日2015-02-11
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
8B7W
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BU of 8b7w by Molmil
Complex IL-17A/anti-IL-17A-76
分子名称: CHLORIDE ION, GLYCEROL, Interleukin-17A, ...
著者Kostareva, O.S, Svoeglazova, A, Kolyadenko, I.A, Dzhus, U.F, Tishchenko, S.V, Gabdulkhakov, A.G.
登録日2022-10-03
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Two Epitope Regions Revealed in the Complex of IL-17A and Anti-IL-17A V H H Domain.
Int J Mol Sci, 23, 2022
5R4H
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BU of 5r4h by Molmil
PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000287a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF, ...
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-24
公開日2020-04-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献PanDDA analysis group deposition
To Be Published
6EJL
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BU of 6ejl by Molmil
Structure of 14-3-3 zeta in complex with ASK1 14-3-3 binding motif
分子名称: 14-3-3 protein zeta/delta, Mitogen-activated protein kinase kinase kinase 5
著者Petrvalska, O, Lentini Santo, D, Obsilova, V, Obsil, T.
登録日2017-09-21
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献Crystal structure of 14-3-3 zeta in complex with ASK1 14-3-3 binding motif
To Be Published
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
8SPB
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BU of 8spb by Molmil
Caspase-4/Pro-IL-18 complex
分子名称: Caspase-4 subunit p10, Caspase-4 subunit p20, Interleukin-18
著者Pascal, D, Dong, Y, Wu, H, Jon, K.
登録日2023-05-02
公開日2023-11-22
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights into cytokine cleavage by inflammatory caspase-4.
Nature, 624, 2023
6RLQ
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BU of 6rlq by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ45031882
分子名称: (1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者Brown, D.G, Robinson, C.M, Pande, V.
登録日2019-05-02
公開日2020-07-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ45031882
To Be Published
6RJZ
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Fragment AZ-015 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-(6-azanylpyridin-2-yl)-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2019-04-29
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 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2024-08-07に公開中

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