7Z75
| PI3KC2a core in complex with PITCOIN3 | Descriptor: | 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, SULFATE ION, ... | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2022-03-15 | Release date: | 2022-08-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha. Nat.Chem.Biol., 19, 2023
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7Z74
| PI3KC2a core in complex with PITCOIN2 | Descriptor: | 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ~{N}-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2022-03-15 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha. Nat.Chem.Biol., 19, 2023
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8A9I
| PI3KC2a core in complex with PITCOIN1 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ... | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2022-06-28 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha. Nat.Chem.Biol., 19, 2023
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6XRM
| Crystal structure of human PI3K-gamma in complex with Compound 4 | Descriptor: | 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Walker, N.P, Jeffrey, J.L. | Deposit date: | 2020-07-13 | Release date: | 2020-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Discovery of Potent and Selective PI3K gamma Inhibitors. J.Med.Chem., 63, 2020
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6XRN
| Crystal structure of human PI3K-gamma in complex with Compound 17 | Descriptor: | 2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Walker, N.P, Jeffrey, J.L. | Deposit date: | 2020-07-13 | Release date: | 2021-11-03 | Last modified: | 2022-02-09 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Design, Synthesis, and Structure-Activity Relationship Optimization of Pyrazolopyrimidine Amide Inhibitors of Phosphoinositide 3-Kinase gamma (PI3K gamma ). J.Med.Chem., 65, 2022
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5M6U
| HUMAN PI3KDELTA IN COMPLEX WITH LASW1579 | Descriptor: | 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A. | Deposit date: | 2016-10-26 | Release date: | 2017-02-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, 8, 2017
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7BL1
| human complex II-BATS bound to membrane-attached Rab5a-GTP | Descriptor: | Beclin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tremel, S, Morado, D.R, Kovtun, O, Williams, R.L, Briggs, J.A.G, Munro, S, Ohashi, Y, Bertram, J, Perisic, O. | Deposit date: | 2021-01-17 | Release date: | 2021-03-03 | Last modified: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (9.8 Å) | Cite: | Structural basis for VPS34 kinase activation by Rab1 and Rab5 on membranes. Nat Commun, 12, 2021
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3CST
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3CSF
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7BI4
| PI3KC2a core apo | Descriptor: | 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha,Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, SULFATE ION | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2021-01-12 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function. Nat.Struct.Mol.Biol., 29, 2022
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7BI2
| PI3KC2aDeltaN and DeltaC-C2 | Descriptor: | 1,2-ETHANEDIOL, 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one, IODIDE ION, ... | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2021-01-12 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function. Nat.Struct.Mol.Biol., 29, 2022
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7BI6
| PI3KC2a core in complex with ATP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2021-01-12 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function. Nat.Struct.Mol.Biol., 29, 2022
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7BI9
| PI3KC2a core in complex with PIK90 | Descriptor: | 1,2-ETHANEDIOL, N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha,Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha | Authors: | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | Deposit date: | 2021-01-12 | Release date: | 2022-03-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis of phosphatidylinositol 3-kinase C2 alpha function. Nat.Struct.Mol.Biol., 29, 2022
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6ZAA
| PI3K Delta in complex with methoxy(methylsulfamoyl)pyridinylN(methylpiperidinyl)dihydrobenzoxazinecarboxamide | Descriptor: | 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | Deposit date: | 2020-06-05 | Release date: | 2020-07-15 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta. Acs Med.Chem.Lett., 11, 2020
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6ZAC
| PI3K Delta in complex with [(dimethylamino)methyldihydrobenzoxazin2methoxypyridinyl]methanesulfonamide | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | Deposit date: | 2020-06-05 | Release date: | 2020-07-01 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta. Acs Med.Chem.Lett., 11, 2020
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6ZAD
| PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methoxymethyloxathiatetraazatetracyclodocosahexaenedione | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | Deposit date: | 2020-06-05 | Release date: | 2020-07-29 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta. Acs Med.Chem.Lett., 11, 2020
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3DBS
| Structure of PI3K gamma in complex with GDC0941 | Descriptor: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Wiesmann, C, Ultsch, M. | Deposit date: | 2008-06-02 | Release date: | 2008-06-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer J.Med.Chem., 51, 2008
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5NCZ
| mPI3Kd IN COMPLEX WITH inh1 | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Petersen, J. | Deposit date: | 2017-03-06 | Release date: | 2017-06-21 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration. J. Med. Chem., 60, 2017
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5NCY
| mPI3Kd IN COMPLEX WITH inh1 | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ... | Authors: | Petersen, J. | Deposit date: | 2017-03-06 | Release date: | 2017-06-21 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration. J. Med. Chem., 60, 2017
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3DPD
| Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-Dihydro-2H-benzo[1,4]oxazines | Descriptor: | 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Ceska, T.A. | Deposit date: | 2008-07-08 | Release date: | 2008-08-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-dihydro-2H-benzo[1,4]oxazines Bioorg.Med.Chem.Lett., 18, 2008
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5NGB
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4OVV
| Crystal Structure of PI3Kalpha in complex with diC4-PIP2 | Descriptor: | (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M, Amzel, L.M. | Deposit date: | 2014-01-14 | Release date: | 2014-09-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis of nSH2 regulation and lipid binding in PI3K alpha. Oncotarget, 5, 2014
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4OVU
| Crystal Structure of p110alpha in complex with niSH2 of p85alpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | Deposit date: | 2014-01-14 | Release date: | 2014-09-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Structural basis of nSH2 regulation and lipid binding in PI3K alpha. Oncotarget, 5, 2014
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5O83
| Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors | Descriptor: | Leniolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Gutmann, S, Rummel, G, Shrestha, B. | Deposit date: | 2017-06-12 | Release date: | 2017-09-20 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors. ACS Med Chem Lett, 8, 2017
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3ENE
| Complex of PI3K gamma with an inhibitor | Descriptor: | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Apsel, B, Blair, J.A, Gonzalez, B.Z, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A. | Deposit date: | 2008-09-25 | Release date: | 2008-10-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases Nat.Chem.Biol., 4, 2008
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