1QAD
 
 | | Crystal Structure of the C-Terminal SH2 Domain of the P85 alpha Regulatory Subunit of Phosphoinositide 3-Kinase: An SH2 domain mimicking its own substrate | | Descriptor: | PI3-KINASE P85 ALPHA SUBUNIT | | Authors: | Hoedemaeker, P.J, Siegal, G, Roe, M, Driscoll, P.C, Abrahams, J.P.A. | | Deposit date: | 1999-02-26 | | Release date: | 1999-10-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the C-terminal SH2 domain of the p85alpha regulatory subunit of phosphoinositide 3-kinase: an SH2 domain mimicking its own substrate.
J.Mol.Biol., 292, 1999
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6D85
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6D81
 | | Structure of the Bovine p85a BH domain | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION | | Authors: | Moore, S.A, Marshall, J.D, Anderson, D.H. | | Deposit date: | 2018-04-25 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.248 Å) | | Cite: | Patient-derived mutations within the N-terminal domains of p85 alpha impact PTEN or Rab5 binding and regulation.
Sci Rep, 8, 2018
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8S3R
 | | HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7 | | Descriptor: | 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | | Deposit date: | 2024-02-20 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation.
J.Med.Chem., 67, 2024
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6D86
 | | Structure of the Bovine p85a BH domain | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION | | Authors: | Moore, S.A, Marshall, J.D, Anderson, D.H. | | Deposit date: | 2018-04-25 | | Release date: | 2018-05-23 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Patient-derived mutations within the N-terminal domains of p85 alpha impact PTEN or Rab5 binding and regulation.
Sci Rep, 8, 2018
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6MRP
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6D82
 | | Structure of the Bovine p85a BH domain | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION | | Authors: | Moore, S.A, Marshall, J.D, Anderson, D.H. | | Deposit date: | 2018-04-25 | | Release date: | 2018-05-23 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.407 Å) | | Cite: | Patient-derived mutations within the N-terminal domains of p85 alpha impact PTEN or Rab5 binding and regulation.
Sci Rep, 8, 2018
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7JIS
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 2F | | Descriptor: | (3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Lesburg, C.A, Augustin, M. | | Deposit date: | 2020-07-23 | | Release date: | 2020-12-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Optimization of Versatile Oxindoles as Selective PI3K delta Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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8BCY
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13 | | Descriptor: | 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Pala, D, Mazzucato, R, Capelli, A.M, Rancati, F, Biagetti, M. | | Deposit date: | 2022-10-17 | | Release date: | 2023-05-10 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Application of an "inhalation by design" approach to the identification and in-vitro evaluation of novel purine based PI3K delta inhibitors.
Eur.J.Med.Chem., 254, 2023
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6OCO
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6 | | Descriptor: | 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Lesburg, C.A, Augustin, M.A. | | Deposit date: | 2019-03-25 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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5DXU
 | | p110delta/p85alpha with GDC-0326 | | Descriptor: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
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6D87
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6G6W
 | | HUMAN PI3KDELTA IN COMPLEX WITH LIGAND LASW1976 | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide | | Authors: | Segarra, V, Hernandez, B, Jestel, A, Mortel, M, Nagel, S. | | Deposit date: | 2018-04-03 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Discovery of a Novel Inhaled PI3K delta Inhibitor for the Treatment of Respiratory Diseases.
J. Med. Chem., 61, 2018
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6OCU
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 29 | | Descriptor: | 5-{(3R)-3-methyl-4-[(1R,2R)-2-methylcyclopropane-1-carbonyl]piperazin-1-yl}-3-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Lesburg, C.A, Augustin, M.A. | | Deposit date: | 2019-03-25 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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5T8F
 | | p110delta/p85alpha with taselisib (GDC-0032) | | Descriptor: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Moertl, M, Steinbacher, S, Eigenbrot, C. | | Deposit date: | 2016-09-07 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
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5DXH
 | | p110alpha/p85alpha with compound 5 | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate | | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
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6R4R
 | | Cryo-EM Structure of the PI3-Kinase SH3 Domain Amyloid Fibril | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha | | Authors: | Roeder, C, Vettore, N, Mangels, L.N, Gremer, L, Ravelli, R.B.G, Willbold, D, Hoyer, W, Buell, A.K, Schroder, G.F. | | Deposit date: | 2019-03-23 | | Release date: | 2019-08-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Atomic structure of PI3-kinase SH3 amyloid fibrils by cryo-electron microscopy.
Nat Commun, 10, 2019
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1BFJ
 | | SOLUTION STRUCTURE OF THE C-TERMINAL SH2 DOMAIN OF THE P85ALPHA REGULATORY SUBUNIT OF PHOSPHOINOSITIDE 3-KINASE, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | P85 ALPHA | | Authors: | Siegal, G, Davis, B, Kristensen, S.M, Sankar, A, Linacre, J, Stein, R.C, Panayotou, G, Waterfield, M.D, Driscoll, P.C. | | Deposit date: | 1997-11-18 | | Release date: | 1998-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the C-terminal SH2 domain of the p85 alpha regulatory subunit of phosphoinositide 3-kinase.
J.Mol.Biol., 276, 1998
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1BFI
 | | SOLUTION STRUCTURE OF THE C-TERMINAL SH2 DOMAIN OF THE P85ALPHA REGULATORY SUBUNIT OF PHOSPHOINOSITIDE 3-KINASE, NMR, 30 STRUCTURES | | Descriptor: | P85 ALPHA | | Authors: | Siegal, G, Davis, B, Kristensen, S.M, Sankar, A, Linacre, J, Stein, R.C, Panayotou, G, Waterfield, M.D, Driscoll, P.C. | | Deposit date: | 1997-11-18 | | Release date: | 1998-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the C-terminal SH2 domain of the p85 alpha regulatory subunit of phosphoinositide 3-kinase.
J.Mol.Biol., 276, 1998
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1PNJ
 | | SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE SH3 DOMAIN OF THE P85ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL 3-KINASE | | Descriptor: | PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN | | Authors: | Booker, G.W, Gout, I, Downing, A.K, Driscoll, P.C, Boyd, J, Waterfield, M.D, Campbell, I.D. | | Deposit date: | 1993-07-19 | | Release date: | 1993-10-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and ligand-binding site of the SH3 domain of the p85 alpha subunit of phosphatidylinositol 3-kinase.
Cell(Cambridge,Mass.), 73, 1993
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1OO3
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2PNI
 | | SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE SH3 DOMAIN OF THE P85ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL 3-KINASE | | Descriptor: | PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN | | Authors: | Booker, G.W, Gout, I, Downing, A.K, Driscoll, P.C, Boyd, J, Waterfield, M.D, Campbell, I.D. | | Deposit date: | 1993-07-19 | | Release date: | 1993-10-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and ligand-binding site of the SH3 domain of the p85 alpha subunit of phosphatidylinositol 3-kinase.
Cell(Cambridge,Mass.), 73, 1993
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2PNA
 | | STRUCTURE OF AN SH2 DOMAIN OF THE P85 ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL-3-OH KINASE | | Descriptor: | PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT N-TERMINAL SH2 DOMAIN | | Authors: | Booker, G.W, Breeze, A.L, Downing, A.K, Panayotou, G, Gout, I, Waterfield, M.D, Campbell, I.D. | | Deposit date: | 1992-06-30 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of an SH2 domain of the p85 alpha subunit of phosphatidylinositol-3-OH kinase.
Nature, 358, 1992
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1OO4
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2PNB
 | | STRUCTURE OF AN SH2 DOMAIN OF THE P85 ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL-3-OH KINASE | | Descriptor: | PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT N-TERMINAL SH2 DOMAIN | | Authors: | Booker, G.W, Breeze, A.L, Downing, A.K, Panayotou, G, Gout, I, Waterfield, M.D, Campbell, I.D. | | Deposit date: | 1992-06-30 | | Release date: | 1994-01-31 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of an SH2 domain of the p85 alpha subunit of phosphatidylinositol-3-OH kinase.
Nature, 358, 1992
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