6S3C
 
 | | 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
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5A8Z
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... | | 著者 | von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | | 登録日 | 2015-07-17 | | 公開日 | 2016-08-03 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model.
ChemMedChem, 11, 2016
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6RWI
 | | 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
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6RWS
 | | 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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6RKI
 | | Fragment AZ-023 binding at the p53pT387/14-3-3 sigma interface | | 分子名称: | 14-3-3 protein sigma, 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | | 著者 | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | | 登録日 | 2019-04-30 | | 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
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6RKM
 | | Fragment AZ-022 binding at the p53pT387/14-3-3 sigma interface | | 分子名称: | 14-3-3 protein sigma, 4-phenyl-5-phenylazanyl-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
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6RL4
 | | Fragment AZ-025 binding at the p53pT387/14-3-3 sigma interface | | 分子名称: | 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-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 (1.6 Å) | | 主引用文献 | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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4OR9
 | | Crystal structure of human calcineurin | | 分子名称: | CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... | | 著者 | Li, S.J, Wang, J, Wu, J.W, Wang, Z.X. | | 登録日 | 2014-02-11 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Cooperative autoinhibition and multi-level activation mechanisms of calcineurin
To be Published
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6S9Q
 | | 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
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6SIN
 | | 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
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6SIP
 | | 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
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4QHU
 | | Crystal Structure of IL-17A/Fab6785 complex | | 分子名称: | CHLORIDE ION, Fab6785 heavy chain, Fab6785 light chain, ... | | 著者 | Luo, J, Gilliland, G.L, Malia, T, Obmolova, G, Teplyakov, A. | | 登録日 | 2014-05-29 | | 公開日 | 2015-08-05 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | IL-17A Asymmetry in a Complex with a Neutralizing Antibody Fab6785 Reveals a Potential Mechanism of Receptor Differentiation
To be Published
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4ORC
 | | Crystal structure of mammalian calcineurin | | 分子名称: | CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... | | 著者 | Ma, L, Li, S.J, Wang, J, Wu, J.W, Wang, Z.X. | | 登録日 | 2014-02-11 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Cooperative autoinhibition and multi-level activation mechanisms of calcineurin
To be Published
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6SIQ
 | | 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
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4XF2
 | | Tetragonal structure of Arp2/3 complex | | 分子名称: | Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, Actin-related protein 2/3 complex subunit 2, ... | | 著者 | Jurgenson, C.T, Pollard, T.P. | | 登録日 | 2014-12-25 | | 公開日 | 2015-11-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (5 Å) | | 主引用文献 | Crystals of the Arp2/3 complex in two new space groups with structural information about actin-related protein 2 and potential WASP binding sites.
Acta Crystallogr.,Sect.F, 71, 2015
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5T31
 | | Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia | | 分子名称: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | | 著者 | Stein, A.J, Holson, E.B, Wagner, F.F, Cambell, A.J. | | 登録日 | 2016-08-24 | | 公開日 | 2018-02-21 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
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5R4N
 | | PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000061a | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-acetyl-N-ethylpiperazine-1-carboxamide, 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
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5A8Y
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ... | | 著者 | vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | | 登録日 | 2015-07-17 | | 公開日 | 2016-08-03 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: In Vivo Efficacy of the Polar Pyrimidopyridazine Bay-8040 in a Pulmonary Arterial Hypertension Rat Model.
Chemmedchem, 11, 2016
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4XZV
 | | Crystal Structure of SLMO1-TRIAP1 Complex | | 分子名称: | Maltose-binding periplasmic protein,TP53-regulated inhibitor of apoptosis 1, Protein slowmo homolog 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Miliara, X, Garnett, J.A, Matthews, S.J. | | 登録日 | 2015-02-05 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.58 Å) | | 主引用文献 | Structural insight into the TRIAP1/PRELI-like domain family of mitochondrial phospholipid transfer complexes.
Embo Rep., 16, 2015
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5BTV
 | | Crystal structure of human 14-3-3 sigma in complex with a Tau-protein peptide surrounding pS324 | | 分子名称: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Ottmann, C, Schumacher, B, Bartel, M. | | 登録日 | 2015-06-03 | | 公開日 | 2016-07-20 | | 最終更新日 | 2019-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Involvement of 14-3-3 in tubulin instability and impaired axon development is mediated by Tau.
Faseb J., 29, 2015
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5BK4
 | | Cryo-EM structure of Mcm2-7 double hexamer on dsDNA | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA (60-mer), strand 1, ... | | 著者 | Li, H, Yuan, Z, Bai, L. | | 登録日 | 2017-09-12 | | 公開日 | 2017-10-25 | | 最終更新日 | 2020-01-08 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Cryo-EM structure of Mcm2-7 double hexamer on DNA suggests a lagging-strand DNA extrusion model.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4ORB
 | | Crystal structure of mouse calcineurin | | 分子名称: | CALCIUM ION, Calcineurin subunit B type 1, FE (III) ION, ... | | 著者 | Ma, L, Li, S.J, Wang, J, Wu, J.W, Wang, Z.X. | | 登録日 | 2014-02-11 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (3.108 Å) | | 主引用文献 | Cooperative autoinhibition and multi-level activation mechanisms of calcineurin
To be Published
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5UFS
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2PX9
 | | The intrinsic affinity between E2 and the Cys domain of E1 in Ubiquitin-like modifications | | 分子名称: | SUMO-activating enzyme subunit 2, SUMO-conjugating enzyme UBC9 | | 著者 | Wang, J.H, Hu, W.D, Cai, S, Lee, B, Song, J, Chen, Y. | | 登録日 | 2007-05-14 | | 公開日 | 2007-07-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The intrinsic affinity between E2 and the Cys domain of E1 in ubiquitin-like modifications.
Mol.Cell, 27, 2007
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5YBC
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