2XSE
| The structural basis for recognition of J-base containing DNA by a novel DNA-binding domain in JBP1 | Descriptor: | GLYCEROL, NITRATE ION, THYMINE DIOXYGENASE JBP1 | Authors: | Heidebrecht, T, Christodoulou, E, Chalmers, M.J, Jan, S, ter Riete, B, Grover, R.K, Joosten, R.P, Littler, D, vanLuenen, H, Griffin, P.R, Wentworth, P, Borst, P, Perrakis, A. | Deposit date: | 2010-09-28 | Release date: | 2011-03-30 | Last modified: | 2011-08-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Structural Basis for Recognition of Base J Containing DNA by a Novel DNA Binding Domain in Jbp1. Nucleic Acids Res., 39, 2011
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2B8H
| A/NWS/whale/Maine/1/84 (H1N9) reassortant influenza virus neuraminidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Smith, B.J, Platis, D, Cox, M.M.J, Huyton, T, Joosten, R.P, McKimm-Breschkin, J.L, Zhang, J.-G, Luo, C.S, Lou, M.-Z, Garrett, T.P.J, Labrou, N.E. | Deposit date: | 2005-10-07 | Release date: | 2006-09-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a calcium-deficient form of influenza virus neuraminidase: implications for substrate binding. Acta Crystallogr.,Sect.D, 62, 2006
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7ZW4
| Crystal structure of Talin R7R8 domains with Caskin-2 LD-peptide | Descriptor: | Caskin-2, Talin-1 | Authors: | Celie, P.H.N, Joosten, R.P, Sonnenberg, A, Perrakis, A. | Deposit date: | 2022-05-18 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Caskin2 is a novel talin- and Abi1-binding protein that promotes cell motility. J.Cell.Sci., 137, 2024
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8BBM
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6FPV
| A llama-derived JBP1-targeting nanobody | Descriptor: | GLYCEROL, Nanobody | Authors: | van Beusekom, B, Adamopoulos, A, Heidebrecht, T, Joosten, R.P, Perrakis, A. | Deposit date: | 2018-02-12 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Characterization and structure determination of a llama-derived nanobody targeting the J-base binding protein 1. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6GVJ
| Human Mps1 kinase domain with ordered activation loop | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, GLYCEROL | Authors: | Roorda, J.C, Hiruma, Y, Joosten, R.P, Perrakis, A. | Deposit date: | 2018-06-21 | Release date: | 2019-01-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A crystal structure of the human protein kinase Mps1 reveals an ordered conformation of the activation loop. Proteins, 87, 2019
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5LJJ
| Crystal structure of human Mps1 (TTK) in complex with Reversine | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | Deposit date: | 2016-07-18 | Release date: | 2016-10-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of reversine selectivity in inhibiting Mps1 more potently than aurora B kinase. Proteins, 84, 2016
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5IJQ
| Crystal structure of autotaxin (ENPP2) re-refined | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Hausmann, J, Joosten, R.P, Perrakis, A. | Deposit date: | 2016-03-02 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural snapshots of the catalytic cycle of the phosphodiesterase Autotaxin. J.Struct.Biol., 195, 2016
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5IJS
| Crystal structure of autotaxin with orthovanadate bound as a trigonal bipyramidal intermediate analog | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ... | Authors: | Hausmann, J, Joosten, R.P, Perrakis, A. | Deposit date: | 2016-03-02 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural snapshots of the catalytic cycle of the phosphodiesterase Autotaxin. J.Struct.Biol., 195, 2016
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4B56
| Structure of ectonucleotide pyrophosphatase-phosphodiesterase-1 (NPP1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Jansen, S, Perrakis, A, Ulens, C, Winkler, C, Andries, M, Joosten, R.P, Van Acker, M, Luyten, F.P, Moolenaar, W.H, Bollen, M. | Deposit date: | 2012-08-02 | Release date: | 2012-09-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of Npp1, an Ectonucleotide Pyrophosphatase/Phosphodiesterase Involved in Tissue Calcification. Structure, 20, 2012
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4B6Z
| Crystal structure of metallo-carboxypeptidase from Burkholderia cenocepacia | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Rimsa, V, Eadsforth, T.C, Joosten, R.P, Hunter, W.N. | Deposit date: | 2012-08-16 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-Resolution Structure of the M14-Type Cytosolic Carboxypeptidase from Burkholderia Cenocepacia Refined Exploiting Pdb_Redo Strategies. Acta Crystallogr.,Sect.D, 70, 2014
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5DLV
| Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) | Descriptor: | 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Keune, W.J, Heidebrecht, T, von Castelmur, E, Joosten, R.P, Perrakis, A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
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5DLW
| Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) and lysophosphatidic acid (LPA) | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, ... | Authors: | Keune, W.J, Heidebrecht, T, Joosten, R.P, Perrakis, A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
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5DLT
| Crystal structure of Autotaxin (ENPP2) with 7-alpha-hydroxycholesterol | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Hausmann, J, Joosten, R.P, Perrakis, A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
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4PGC
| MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGN(3,5-diiodotyrosine)PAL | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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4PG9
| MHC Class I in complex with Sendai virus nucleoprotein peptide FAPGNYPAL | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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4PGE
| MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNYPAW | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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4PGD
| MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNYPAF | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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4PGB
| MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNWPAL | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Celie, P.H.N, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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5MRB
| Crystal structure of human Mps1 (TTK) in complex with Cpd-5 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity protein kinase TTK, ... | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | Deposit date: | 2016-12-22 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures. J. Biol. Chem., 292, 2017
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5O91
| Crystal structure of human Mps1 (TTK) C604W mutant in complex with Cpd-5 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, ~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | Deposit date: | 2017-06-15 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures. J. Biol. Chem., 292, 2017
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5NTT
| Crystal structure of human Mps1 (TTK) C604Y mutant in complex with NMS-P715 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | Deposit date: | 2017-04-28 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures. J. Biol. Chem., 292, 2017
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6VIF
| Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2 | Descriptor: | N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | Authors: | Cato, M.L, Ortlund, E.A. | Deposit date: | 2020-01-13 | Release date: | 2020-06-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition. Bioorg.Med.Chem.Lett., 30, 2020
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8DAF
| Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid | Descriptor: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | Authors: | D'Agostino, E.H, Cato, M.L, Ortlund, E.A. | Deposit date: | 2022-06-13 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators. J.Biol.Chem., 299, 2023
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5DLP
| Acetylcholinesterase Methylene Blue no PEG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ... | Authors: | Dym, O. | Deposit date: | 2015-09-07 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex. Protein Sci., 25, 2016
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