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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2YLM
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2W8F
| Aplysia californica AChBP bound to in silico compound 31 | Descriptor: | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | Deposit date: | 2009-01-16 | Release date: | 2009-04-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis. J.Med.Chem., 52, 2009
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2W8G
| Aplysia californica AChBP bound to in silico compound 35 | Descriptor: | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | Deposit date: | 2009-01-16 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis. J.Med.Chem., 52, 2009
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2KLT
| Second Ca2+ binding domain of NCX1.3 | Descriptor: | Sodium/calcium exchanger 1 | Authors: | Hilge, M, Aelen, J, Foarce, A, Perrakis, A, Vuister, G.W. | Deposit date: | 2009-07-08 | Release date: | 2009-08-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Ca2+ regulation in the Na+/Ca2+ exchanger features a dual electrostatic switch mechanism. Proc.Natl.Acad.Sci.USA, 106, 2009
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2WVR
| Human Cdt1:Geminin complex | Descriptor: | DNA REPLICATION FACTOR CDT1, GEMININ | Authors: | De Marco, V, Perrakis, A. | Deposit date: | 2009-10-19 | Release date: | 2009-10-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Quaternary Structure of the Human Cdt1-Geminin Complex Regulates DNA Replication Licensing. Proc.Natl.Acad.Sci.USA, 106, 2009
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2KLS
| Apo-form of the second Ca2+ binding domain of NCX1.4 | Descriptor: | Sodium/calcium exchanger 1 | Authors: | Hilge, M, Aelen, J, Foarce, A, Perrakis, A, Vuister, G.W. | Deposit date: | 2009-07-08 | Release date: | 2009-08-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Ca2+ regulation in the Na+/Ca2+ exchanger features a dual electrostatic switch mechanism. Proc.Natl.Acad.Sci.USA, 106, 2009
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7ZOM
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7ZU4
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7ZU3
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7ZUO
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7ZUA
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7ZV6
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7ZTW
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7ZV1
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8A2G
| Crystal structure of Sebokelevirus 2A2 protein | Descriptor: | 1,2-ETHANEDIOL, 2A2 protein, TETRAETHYLENE GLYCOL | Authors: | Zhu, L, Von Castelmur, E, Whang, X, Ren, J, Fry, E, Perrakis, A, Stuart, D.I. | Deposit date: | 2022-06-03 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural plasticity of 2A proteins in the Parechovirus family to be published
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8A2F
| Crystal Structure of Ljunganvirus 1 2A protein | Descriptor: | 2A protein | Authors: | von Castelmur, E, Zhu, L, Wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I. | Deposit date: | 2022-06-03 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural plasticity of 2A proteins in the Parechovirus family To Be Published
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8A2E
| Crystal Structure of Human Parechovirus 3 2A protein | Descriptor: | 2A protein, GLYCEROL, SULFATE ION | Authors: | von Castelmur, E, Zhu, L, wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I. | Deposit date: | 2022-06-03 | Release date: | 2023-06-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural plasticity of 2A proteins in the Parechovirus family. To Be Published
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1RXF
| DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION | Authors: | Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Schofield, C.J, Hajdu, J, Andersson, I. | Deposit date: | 1998-06-05 | Release date: | 1999-06-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of a cephalosporin synthase. Nature, 394, 1998
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8BBM
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1RXG
| DEACETOXYCEPHALOSPORIN C SYNTHASE COMPLEXED WITH FE(II) AND 2-OXOGLUTARATE | Descriptor: | 2-OXOGLUTARIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (III) ION, ... | Authors: | Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Shofield, C.J, Hajdu, J, Andersson, I. | Deposit date: | 1998-06-05 | Release date: | 1999-06-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of a cephalosporin synthase. Nature, 394, 1998
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5LQQ
| Structure of Autotaxin (ENPP2) with LM350 | Descriptor: | 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A. | Deposit date: | 2016-08-17 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode. J. Med. Chem., 60, 2017
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2X4P
| Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | Authors: | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | Deposit date: | 2010-02-02 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
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2X4Q
| Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | Authors: | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | Deposit date: | 2010-02-02 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
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2X4T
| Crystal structure of MHC CLass I HLA-A2.1 bound to a Peiodate- cleavable peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 65 KDA PHOSPHOPROTEIN, BETA-2-MICROGLOBULIN, ... | Authors: | Rodenko, B, Toebes, M, Celie, P.H.N, Perrakis, A, Schumacher, T.N.M, Ovaa, H. | Deposit date: | 2010-02-02 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
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