2BO5
| Bovine oligomycin sensitivity conferral protein N-terminal domain | Descriptor: | ATP SYNTHASE OLIGOMYCIN SENSITIVITY CONFERRAL PROTEIN | Authors: | Carbajo, R.J, Kellas, F.A, Runswick, M.J, Montgomery, M.G, Walker, J.E, Neuhaus, D. | Deposit date: | 2005-04-07 | Release date: | 2005-08-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the F1-binding domain of the stator of bovine F1Fo-ATPase and how it binds an alpha-subunit. J. Mol. Biol., 351, 2005
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1VZS
| Solution structure of subunit F6 from the peripheral stalk region of ATP synthase from bovine heart mitochondria | Descriptor: | ATP SYNTHASE COUPLING FACTOR 6, MITOCHONDRIAL PRECURSOR | Authors: | Carbajo, R.J, Silvester, J.A, Runswick, M.J, Walker, J.E, Neuhaus, D. | Deposit date: | 2004-05-25 | Release date: | 2004-09-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of Subunit F(6) from the Peripheral Stalk Region of ATP Synthase from Bovine Heart Mitochondria J.Mol.Biol., 342, 2004
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2MOP
| Structure of Bitistatin A | Descriptor: | Disintegrin bitistatin | Authors: | Carbajo, R.J, Calvete, J, Sanz, L, Perez, A. | Deposit date: | 2014-04-29 | Release date: | 2014-11-12 | Last modified: | 2015-02-25 | Method: | SOLUTION NMR | Cite: | NMR structure of bitistatin - a missing piece in the evolutionary pathway of snake venom disintegrins. Febs J., 282, 2015
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2MP5
| Structure of Bitistatin B | Descriptor: | Disintegrin bitistatin | Authors: | Carbajo, R.J, Calvete, J, Sanz, L, Perez, A. | Deposit date: | 2014-05-11 | Release date: | 2014-11-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | NMR structure of bitistatin - a missing piece in the evolutionary pathway of snake venom disintegrins. Febs J., 282, 2015
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2W9O
| Solution structure of jerdostatin from Trimeresurus jerdonii | Descriptor: | SHORT DISINTEGRIN JERDOSTATIN | Authors: | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | Deposit date: | 2009-01-27 | Release date: | 2010-03-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1 Proteins, 79, 2011
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2W9U
| Solution structure of jerdostatin mutant R24K from Trimeresurus jerdonii | Descriptor: | SHORT DISINTEGRIN JERDOSTATIN | Authors: | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | Deposit date: | 2009-01-29 | Release date: | 2010-03-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1 Proteins, 79, 2011
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2W9V
| Solution structure of jerdostatin from Trimeresurus jerdonii with end C-terminal residues N45G46 deleted | Descriptor: | SHORT DISINTEGRIN JERDOSTATIN | Authors: | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | Deposit date: | 2009-01-29 | Release date: | 2010-03-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1 Proteins, 79, 2011
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2W9W
| Solution structure of jerdostatin mutant R24K from Trimeresurus jerdonii with end C-terminal residues N45G46 deleted | Descriptor: | SHORT DISINTEGRIN JERDOSTATIN | Authors: | Carbajo, R.J, Sanz, L, Mosulen, S, Calvete, J.J, Pineda-Lucena, A. | Deposit date: | 2009-01-29 | Release date: | 2010-03-31 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | NMR Structure and Dynamics of Recombinant Wild-Type and Mutated Jerdostatin, a Selective Inhibitor of Integrin Alpha1 Beta1 Proteins, 79, 2011
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2JMX
| OSCP-NT (1-120) in complex with N-terminal (1-25) alpha subunit from F1-ATPase | Descriptor: | ATP synthase O subunit, mitochondrial, ATP synthase subunit alpha heart isoform | Authors: | Carbajo, R.J, Neuhaus, D, Kellas, F.A, Yang, J, Runswick, M.J, Montgomery, M.G, Walker, J.E. | Deposit date: | 2006-12-12 | Release date: | 2007-04-24 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | How the N-terminal Domain of the OSCP Subunit of Bovine F(1)F(o)-ATP Synthase Interacts with the N-terminal Region of an Alpha Subunit J.Mol.Biol., 368, 2007
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2J10
| p53 tetramerization domain mutant T329F Q331K | Descriptor: | CELLULAR TUMOR ANTIGEN P53 | Authors: | Carbajo, R.J, Mora, P, Sanchez del Pino, M.M, Perez-Paya, E, Pineda-Lucena, A. | Deposit date: | 2006-08-08 | Release date: | 2007-08-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solvent-exposed residues located in the beta-sheet modulate the stability of the tetramerization domain of p53--a structural and combinatorial approach. Proteins, 71, 2008
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2J0Z
| p53 tetramerization domain wild type | Descriptor: | CELLULAR TUMOR ANTIGEN P53 | Authors: | Carbajo, R.J, Mora, P, Sanchez del Pino, M.M, Perez-Paya, E, Pineda-Lucena, A. | Deposit date: | 2006-08-08 | Release date: | 2007-08-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solvent-exposed residues located in the beta-sheet modulate the stability of the tetramerization domain of p53--a structural and combinatorial approach. Proteins, 71, 2008
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2J11
| p53 tetramerization domain mutant Y327S T329G Q331G | Descriptor: | CELLULAR TUMOR ANTIGEN P53 | Authors: | Carbajo, R.J, Mora, P, Sanchez del Pino, M.M, Perez-Paya, E, Pineda-Lucena, A. | Deposit date: | 2006-08-08 | Release date: | 2007-08-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solvent-exposed residues located in the beta-sheet modulate the stability of the tetramerization domain of p53--a structural and combinatorial approach. Proteins, 71, 2008
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8FU3
| Structure Of Respiratory Syncytial Virus Polymerase with Novel Non-Nucleoside Inhibitor | Descriptor: | 8-methoxy-3-methyl-N-{(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-hydroxypropyl}cinnoline-6-carboxamide, Phosphoprotein, RNA-directed RNA polymerase L | Authors: | Yu, X, Abeywickrema, P, Bonneux, B, Behera, I, Jacoby, E, Fung, A, Adhikary, S, Bhaumik, A, Carbajo, R.J, Bruyn, S.D, Miller, R, Patrick, A, Pham, Q, Piassek, M, Verheyen, N, Shareef, A, Sutto-Ortiz, P, Ysebaert, N, Vlijmen, H.V, Jonckers, T.H.M, Herschke, F, McLellan, J.S, Decroly, E, Fearns, R, Grosse, S, Roymans, D, Sharma, S, Rigaux, P, Jin, Z. | Deposit date: | 2023-01-16 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Structural and mechanistic insights into the inhibition of respiratory syncytial virus polymerase by a non-nucleoside inhibitor. Commun Biol, 6, 2023
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6IAR
| Tricyclic indazoles a novel class of selective estrogen receptor degrader antagonists | Descriptor: | 3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid, Estrogen receptor | Authors: | Scott, J.S, Bailey, A, Buttar, D, Carbajo, R.J, Curwen, J, Davies, R.D.M, Degorce, S.L, Donald, C, Gangl, E, Greenwood, R, Groombridge, S.D, Johnson, T, Lamont, S, Lawson, M, Lister, A, Morrow, C, Moss, T, Pink, J.H, Polanski, R. | Deposit date: | 2018-11-27 | Release date: | 2019-01-23 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Tricyclic Indazoles-A Novel Class of Selective Estrogen Receptor Degrader Antagonists. J.Med.Chem., 62, 2019
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1HF9
| C-Terminal Coiled-Coil Domain from Bovine IF1 | Descriptor: | ATPASE INHIBITOR (MITOCHONDRIAL) | Authors: | Gordon-Smith, D.J, Carbajo, R.J, Yang, J.-C, Videler, H, Runswick, M.J, Walker, J.E, Neuhaus, D. | Deposit date: | 2000-11-30 | Release date: | 2001-05-31 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of a C-terminal coiled-coil domain from bovine IF(1): the inhibitor protein of F(1) ATPase. J. Mol. Biol., 308, 2001
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6RFJ
| IRAK4 IN COMPLEX WITH inhibitor | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate | Authors: | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | Deposit date: | 2019-04-15 | Release date: | 2019-10-30 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma. J.Med.Chem., 62, 2019
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6RFI
| IRAK4 IN COMPLEX WITH inhibitor | Descriptor: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate | Authors: | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | Deposit date: | 2019-04-15 | Release date: | 2019-10-30 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma. J.Med.Chem., 62, 2019
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6ZOQ
| Oestrogen receptor ligand binding domain in complex with compound 16 | Descriptor: | Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine | Authors: | Breed, J. | Deposit date: | 2020-07-07 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6ZOS
| Oestrogen receptor ligand binding domain in complex with compound 18 | Descriptor: | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2020-07-07 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6ZOR
| Oestrogen receptor ligand binding domain in complex with compound 28 | Descriptor: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2020-07-07 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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5N21
| Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | Descriptor: | 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-02-06 | Release date: | 2017-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60, 2017
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5N1Z
| Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine macrocyclic ligand | Descriptor: | B-cell lymphoma 6 protein, CHLORIDE ION, pyrazolo-pyrimidine macrocycle | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-02-06 | Release date: | 2017-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60, 2017
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5N1X
| Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | Descriptor: | B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-02-06 | Release date: | 2017-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60, 2017
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5N1V
| Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-02-06 | Release date: | 2017-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60, 2017
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5N20
| Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | Descriptor: | B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-02-06 | Release date: | 2017-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60, 2017
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