3X04
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![BU of 3x04 by Molmil](/molmil-images/mine/3x04) | Crystal structure of PIP4KIIBETA complex with GMPPNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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3X02
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![BU of 3x02 by Molmil](/molmil-images/mine/3x02) | Crystal structure of PIP4KIIBETA complex with GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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3X0A
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![BU of 3x0a by Molmil](/molmil-images/mine/3x0a) | Crystal structure of PIP4KIIBETA F205L complex with GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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7LUX
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![BU of 7lux by Molmil](/molmil-images/mine/7lux) | AALALL segment from the Nucleoprotein of SARS-CoV-2, residues 217-222, crystal form 2 | Descriptor: | Nucleoprotein AALALL, TETRAETHYLENE GLYCOL | Authors: | Lu, J, Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S. | Deposit date: | 2021-02-23 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.303 Å) | Cite: | Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2. Biorxiv, 2021
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7LTU
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![BU of 7ltu by Molmil](/molmil-images/mine/7ltu) | AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2, RESIDUES 217-222, CRYSTAL FORM 1 | Descriptor: | AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2,RESIDUES 217-222, trifluoroacetic acid | Authors: | Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S. | Deposit date: | 2021-02-20 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.122 Å) | Cite: | Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2. Biorxiv, 2021
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5DPV
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![BU of 5dpv by Molmil](/molmil-images/mine/5dpv) | Aurora A Kinase in Complex with AA35 and JNJ-7706621 in Space Group P6122 | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-14 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DT0
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![BU of 5dt0 by Molmil](/molmil-images/mine/5dt0) | Aurora A Kinase in Complex with JNJ-7706621 in Space Group P6122 | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-17 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DR9
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![BU of 5dr9 by Molmil](/molmil-images/mine/5dr9) | Aurora A Kinase in Complex with AA29 and JNJ-7706621 in Space Group P6122 | Descriptor: | 2-(3-bromophenyl)-6-chloroquinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-15 | Release date: | 2016-07-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DN3
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![BU of 5dn3 by Molmil](/molmil-images/mine/5dn3) | Aurora A in complex with ATP and AA35. | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | Deposit date: | 2015-09-09 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DR2
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![BU of 5dr2 by Molmil](/molmil-images/mine/5dr2) | Aurora A Kinase in Complex with AA30 and ATP in Space Group P6122 | Descriptor: | 2-(3-bromophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-15 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DT4
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![BU of 5dt4 by Molmil](/molmil-images/mine/5dt4) | Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | Descriptor: | 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-17 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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2X3U
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![BU of 2x3u by Molmil](/molmil-images/mine/2x3u) | Ferredoxin-NADP reductase mutant with Tyr 303 replaced by Phe (Y303F) | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Peregrina, J.R, Sanchez-Azqueta, A, Medina, M. | Deposit date: | 2010-01-27 | Release date: | 2010-05-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Role of Specific Residues in Coenzyme Binding, Charge-Transfer Complex Formation, and Catalysis in Anabaena Ferredoxin Nadp(+)-Reductase. Biochim.Biophys.Acta, 1797, 2010
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5ANW
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![BU of 5anw by Molmil](/molmil-images/mine/5anw) | MTH1 in complex with compound 24 | Descriptor: | 2-[4-(2-AMINOQUINAZOLIN-4-YL)PHENYL]-N,N-DIMETHYL-ACETAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2015-09-08 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
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5ANU
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![BU of 5anu by Molmil](/molmil-images/mine/5anu) | MTH1 in complex with compound 15 | Descriptor: | 13-(METHYLAMINO)-23,24,25-TRIOXA-17,18,19,21-TETRAZATETRACYCLO-TRICOSA-1(3),2(10),4(11),12(14),13(18),16(19)-HEXAN-15-ONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, DIMETHYL SULFOXIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2015-09-08 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
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1UP8
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![BU of 1up8 by Molmil](/molmil-images/mine/1up8) | Recombinant vanadium-dependent bromoperoxidase from red algae Corallina pilulifera | Descriptor: | CALCIUM ION, PHOSPHATE ION, VANADIUM-DEPENDENT BROMOPEROXIDASE 1 | Authors: | Garcia-Rodriguez, E, Isupov, M, Ohshiro, T, Izumi, Y, Littlechild, J.A. | Deposit date: | 2003-09-29 | Release date: | 2003-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Enhancing Effect of Calcium and Vanadium Ions on Thermal Stability of Bromoperoxidase from Corallina Pilulifera. J.Biol.Inorg.Chem., 10, 2005
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3X0B
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![BU of 3x0b by Molmil](/molmil-images/mine/3x0b) | Crystal structure of PIP4KIIBETA I368A complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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3X0C
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![BU of 3x0c by Molmil](/molmil-images/mine/3x0c) | Crystal structure of PIP4KIIBETA I368A complex with GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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3X08
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![BU of 3x08 by Molmil](/molmil-images/mine/3x08) | Crystal structure of PIP4KIIBETA N203A complex with GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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3X07
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![BU of 3x07 by Molmil](/molmil-images/mine/3x07) | Crystal structure of PIP4KIIBETA N203A complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-09 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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3WZZ
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![BU of 3wzz by Molmil](/molmil-images/mine/3wzz) | Crystal structure of PIP4KIIBETA | Descriptor: | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | Authors: | Takeuchi, K, Lo, Y.H, Sumita, K, Senda, M, Terakawa, J, Dimitoris, A, Locasale, J.W, Sasaki, M, Yoshino, H, Zhang, Y, Kahoud, E.R, Takano, T, Yokota, T, Emerling, B, Asara, J.A, Ishida, T, Shimada, I, Daikoku, T, Cantley, L.C, Senda, T, Sasaki, A.T. | Deposit date: | 2014-10-08 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Lipid Kinase PI5P4K beta Is an Intracellular GTP Sensor for Metabolism and Tumorigenesis Mol.Cell, 61, 2016
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5DNR
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![BU of 5dnr by Molmil](/molmil-images/mine/5dnr) | Aurora A Kinase in complex with ATP in space group P41212 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | Deposit date: | 2015-09-10 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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5DR6
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![BU of 5dr6 by Molmil](/molmil-images/mine/5dr6) | Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122 | Descriptor: | 2-(3-bromophenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | Deposit date: | 2015-09-15 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.534 Å) | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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3H7V
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![BU of 3h7v by Molmil](/molmil-images/mine/3h7v) | CRYSTAL STRUCTURE OF O-SUCCINYLBENZOATE SYNTHASE FROM THERMOSYNECHOCOCCUS ELONGATUS BP-1 complexed with MG in the active site | Descriptor: | MAGNESIUM ION, O-SUCCINYLBENZOATE SYNTHASE | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-04-28 | Release date: | 2009-05-12 | Last modified: | 2021-02-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family. Proc.Natl.Acad.Sci.USA, 111, 2014
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3H70
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![BU of 3h70 by Molmil](/molmil-images/mine/3h70) | Crystal structure of o-succinylbenzoic acid synthetase from staphylococcus aureus Complexed with mg in the active site | Descriptor: | MAGNESIUM ION, O-succinylbenzoic acid (OSB) synthetase | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-04-24 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family. Proc.Natl.Acad.Sci.USA, 111, 2014
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2YAC
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![BU of 2yac by Molmil](/molmil-images/mine/2yac) | Crystal structure of Polo-like kinase 1 in complex with NMS-P937 | Descriptor: | 1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE, L(+)-TARTARIC ACID, SERINE/THREONINE-PROTEIN KINASE PLK1, ... | Authors: | Bertrand, J.A, Bossi, R.T. | Deposit date: | 2011-02-18 | Release date: | 2011-04-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Nms-P937, a 4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline Derivative as Potent and Selective Polo-Like Kinase 1 Inhibitor. Bioorg.Med.Chem.Lett., 21, 2011
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