1UIS
 
 | | The 2.0 crystal structure of eqFP611, a far-red fluorescent protein from the sea anemone Entacmaea quadricolor | | Descriptor: | ACETIC ACID, CALCIUM ION, red fluorescent protein FP611 | | Authors: | Petersen, J, Wilmann, P.G, Beddoe, T, Oakley, A.J, Devenish, R.J, Prescott, M, Rossjohn, J. | | Deposit date: | 2003-07-21 | | Release date: | 2003-10-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The 2.0A crystal structure of eqFP611, a far-red fluorescent protein from the sea anemone Entacmaea quadricolor
J.Biol.Chem., 278, 2003
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6FTN
 | | mPI3Kd IN COMPLEX WITH AZ2 | | Descriptor: | Phosphor inositol 3 kinase, ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide | | Authors: | Petersen, J. | | Deposit date: | 2018-02-22 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Highly Isoform Selective Orally Bioavailable Phosphoinositide 3-Kinase (PI3K)-gamma Inhibitors.
J. Med. Chem., 61, 2018
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4OZH
 | | S16 protein complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Gliadin-alpha2 peptide, ... | | Authors: | Petersen, J, Reid, H.H, Rossjohn, J. | | Deposit date: | 2014-02-16 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
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4OZF
 | | JR5.1 protein complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DQ alpha 1 chain, ... | | Authors: | Petersen, J, Reid, H.H, Rossjohn, J. | | Deposit date: | 2014-02-15 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
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4OZI
 | | S2 protein complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HLA class II histocompatibility antigen, ... | | Authors: | Petersen, J, Reid, H.H, Rossjohn, J. | | Deposit date: | 2014-02-16 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
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4OZG
 | | D2 protein complex | | 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: | Petersen, J, Reid, H.H, Rossjohn, J. | | Deposit date: | 2014-02-16 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | T-cell receptor recognition of HLA-DQ2-gliadin complexes associated with celiac disease.
Nat.Struct.Mol.Biol., 21, 2014
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3FQW
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3FQT
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3FQR
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3FQU
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3FQN
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3FQX
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6GY0
 | | mPI3Kd IN COMPLEX WITH AZ3 | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide | | Authors: | Petersen, J. | | Deposit date: | 2018-06-27 | | Release date: | 2019-02-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | A class of highly selective inhibitors bind to an active state of PI3K gamma.
Nat.Chem.Biol., 15, 2019
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5T27
 | | mPI3Kd IN COMPLEX WITH 5d | | Descriptor: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5T23
 | | PI3Kg IN COMPLEX WITH 5d | | Descriptor: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5T2B
 | | mPI3Kd IN COMPLEX WITH 5e | | Descriptor: | 5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{H}-pyrazol-4-yl)pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5T2I
 | | mPI3Kd IN COMPLEX WITH 7k | | Descriptor: | 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5T2D
 | | mPI3Kd IN COMPLEX WITH 7j | | Descriptor: | 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{N},~{N}-dimethyl-pyrazole-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5T2M
 | | mPI3Kd IN COMPLEX WITH 7m | | Descriptor: | 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5T2G
 | | mPI3Kd IN COMPLEX WITH 7i | | Descriptor: | 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5T28
 | | mPI3Kd IN COMPLEX WITH 5k | | Descriptor: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5T2L
 | | mPI3Kd IN COMPLEX WITH 7l | | Descriptor: | 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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6FH5
 | | PI3Kg IN COMPLEX WITH Compound 7 | | Descriptor: | 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Petersen, J, Barlaam, B. | | Deposit date: | 2018-01-12 | | Release date: | 2019-01-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Discovery and Optimisation of a Novel Series of 3-Cinnoline Carboxamides as Orally Bioavailable, Highly Potent and Selective Ataxia Telangiectasia Mutated (ATM) inhibitors
To Be Published
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1I7G
 | | CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN FROM HUMAN PPAR-ALPHA IN COMPLEX WITH THE AGONIST AZ 242 | | Descriptor: | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA, ... | | Authors: | Petersen, J.F.W, Cronet, P, Folmer, R, Blomberg, N, Sjoblom, K, Karlsson, U, Lindstedt, E.-L, Bamberg, K. | | Deposit date: | 2001-03-09 | | Release date: | 2002-03-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the PPARalpha and -gamma ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family.
Structure, 9, 2001
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1I7I
 | | CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST AZ 242 | | Descriptor: | (2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA | | Authors: | Petersen, J.F.W, Cronet, P, Folmer, R, Blomberg, N, Sjoblom, K, Karlsson, U, Lindstedt, E.-L, Bamberg, K. | | Deposit date: | 2001-03-09 | | Release date: | 2002-03-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the PPARalpha and -gamma ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family.
Structure, 9, 2001
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