1HIJ
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6RX2
| Fragment AZ-005 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-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: | 2019-06-07 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6S39
| 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
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5MKE
| cryoEM Structure of Polycystin-2 in complex with cations and lipids | Descriptor: | 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wilkes, M, Madej, M.G, Ziegler, C. | Deposit date: | 2016-12-04 | Release date: | 2017-01-18 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Molecular insights into lipid-assisted Ca(2+) regulation of the TRP channel Polycystin-2. Nat. Struct. Mol. Biol., 24, 2017
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6RWU
| 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
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6S40
| 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
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6RM5
| 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
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6RLL
| CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ44064146 | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | Authors: | Brown, D.G, Robinson, C.M, Pande, V. | Deposit date: | 2019-05-02 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | A chemical probe for the methyl transferase PRMT5 with a novel
binding mode To Be Published
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1HIK
| INTERLEUKIN-4 (WILD-TYPE) | Descriptor: | INTERLEUKIN-4 | Authors: | Mueller, T, Buehner, M. | Deposit date: | 1995-06-01 | Release date: | 1996-01-29 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Human interleukin-4 and variant R88Q: phasing X-ray diffraction data by molecular replacement using X-ray and nuclear magnetic resonance models. J.Mol.Biol., 247, 1995
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5MKF
| cryoEM Structure of Polycystin-2 in complex with calcium and lipids | Descriptor: | 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wilkes, M, Madej, M.G, Ziegler, C. | Deposit date: | 2016-12-04 | Release date: | 2017-01-18 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Molecular insights into lipid-assisted Ca(2+) regulation of the TRP channel Polycystin-2. Nat. Struct. Mol. Biol., 24, 2017
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6RWH
| Fragment AZ-007 binding at a primary and secondary binding site of the the p53pT387/14-3-3 sigma complex | Descriptor: | 14-3-3 protein sigma, 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-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 (1.68 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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6S3C
| Fragment AZ-019 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ... | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | Deposit date: | 2019-06-25 | 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
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5TUU
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6S9Q
| Fragment AZ-004 binding at a primary and secondary site in a p53pT387/14-3-3 complex | Descriptor: | 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-07-15 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | 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 | 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
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3QFA
| Crystal structure of the human thioredoxin reductase-thioredoxin complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Thioredoxin, ... | Authors: | Fritz-Wolf, K, Kehr, S, Stumpf, M, Rahlfs, S, Becker, K. | Deposit date: | 2011-01-21 | Release date: | 2011-07-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the human thioredoxin reductase-thioredoxin complex Nat Commun, 2, 2011
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5D2D
| Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 | Descriptor: | 14-3-3 protein zeta/delta, CHLORIDE ION, Cystic fibrosis transmembrane conductance regulator, ... | Authors: | Stevers, L.M, Leysen, S.F.R, Ottmann, C. | Deposit date: | 2015-08-05 | Release date: | 2016-03-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization and small-molecule stabilization of the multisite tandem binding between 14-3-3 and the R domain of CFTR. Proc.Natl.Acad.Sci.USA, 113, 2016
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1DY8
| Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (inhibitor II) | Descriptor: | N-[(benzyloxy)carbonyl]-L-isoleucyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide, NONSTRUCTURAL PROTEIN NS4A (P4), PROTEASE/HELICASE NS3 (P70) | Authors: | Di Marco, S, Rizzi, M, Volpari, C, Walsh, M, Narjes, F, Colarusso, S, De Francesco, R, Matassa, V.G, Sollazzo, M. | Deposit date: | 2000-01-31 | Release date: | 2001-01-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Inhibition of the Hepatitis C Virus Ns3/4A Protease the Crystal Structures of Two Protease-Inhibitor Complexes J.Biol.Chem., 275, 2000
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6MAJ
| HBO1 is required for the maintenance of leukaemia stem cells | Descriptor: | 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ... | Authors: | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | Deposit date: | 2018-08-27 | Release date: | 2019-12-25 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.139 Å) | Cite: | HBO1 is required for the maintenance of leukaemia stem cells. Nature, 577, 2020
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5D3F
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6MAK
| HBO1 is required for the maintenance of leukaemia stem cells | Descriptor: | ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ... | Authors: | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | Deposit date: | 2018-08-27 | Release date: | 2019-12-25 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | HBO1 is required for the maintenance of leukaemia stem cells. Nature, 577, 2020
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1IAR
| INTERLEUKIN-4 / RECEPTOR ALPHA CHAIN COMPLEX | Descriptor: | PROTEIN (INTERLEUKIN-4 RECEPTOR ALPHA CHAIN), PROTEIN (INTERLEUKIN-4) | Authors: | Hage, T, Sebald, W, Reinemer, P. | Deposit date: | 1999-02-25 | Release date: | 2000-03-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the interleukin-4/receptor alpha chain complex reveals a mosaic binding interface. Cell(Cambridge,Mass.), 97, 1999
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6SLV
| 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
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3CHW
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6MM7
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