7Z75
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![BU of 7z75 by Molmil](/molmil-images/mine/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
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![BU of 7z74 by Molmil](/molmil-images/mine/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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7Z88
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![BU of 7z88 by Molmil](/molmil-images/mine/7z88) | DNA-PK in the intermediate state | Descriptor: | (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ... | Authors: | Liang, S, Blundell, T.L. | Deposit date: | 2022-03-16 | Release date: | 2023-01-18 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Human DNA-dependent protein kinase activation mechanism. Nat.Struct.Mol.Biol., 30, 2023
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7Z87
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![BU of 7z87 by Molmil](/molmil-images/mine/7z87) | DNA-PK in the active state | Descriptor: | (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ... | Authors: | Liang, S, Blundell, T.L. | Deposit date: | 2022-03-16 | Release date: | 2023-01-18 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Human DNA-dependent protein kinase activation mechanism. Nat.Struct.Mol.Biol., 30, 2023
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7TYR
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![BU of 7tyr by Molmil](/molmil-images/mine/7tyr) | |
3ENE
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![BU of 3ene by Molmil](/molmil-images/mine/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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3CST
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![BU of 3cst by Molmil](/molmil-images/mine/3cst) | |
5AE9
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![BU of 5ae9 by Molmil](/molmil-images/mine/5ae9) | Crystal structure of mouse PI3 kinase delta in complex with GSK2292767 | Descriptor: | N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N. | Deposit date: | 2015-08-26 | Release date: | 2015-09-16 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease. J.Med.Chem., 58, 2015
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5AE8
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![BU of 5ae8 by Molmil](/molmil-images/mine/5ae8) | Crystal structure of mouse PI3 kinase delta in complex with GSK2269557 | Descriptor: | 6-(1H-Indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazole, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Down, K.D, Amour, A, Baldwin, I.R, Cooper, A.W.J, Deakin, A.M, Felton, L.M, Guntrip, S.B, Hardy, C, Harrison, Z.A, Jones, K.L, Jones, P, Keeling, S.E, Le, J, Livia, S, Lucas, F, Lunniss, C.J, Parr, N.J, Robinson, E, Rowland, P, Smith, S, Thomas, D.A, Vitulli, G, Washio, Y, Hamblin, N. | Deposit date: | 2015-08-26 | Release date: | 2015-09-16 | Last modified: | 2021-09-29 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Optimization of Novel Indazoles as Highly Potent and Selective Inhibitors of Phosphoinositide 3-Kinase Gamma for the Treatment of Respiratory Disease. J.Med.Chem., 58, 2015
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4YC4
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![BU of 4yc4 by Molmil](/molmil-images/mine/4yc4) | Crystal structure of phosphatidyl inositol 4-kinase II alpha in complex with nucleotide analog | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha,Lysozyme,Phosphatidylinositol 4-kinase type 2-alpha, [(1S,3S,4S)-3-(6-amino-9H-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol | Authors: | Klima, M, Boura, E. | Deposit date: | 2015-02-19 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | The high-resolution crystal structure of phosphatidylinositol 4-kinase II beta and the crystal structure of phosphatidylinositol 4-kinase II alpha containing a nucleoside analogue provide a structural basis for isoform-specific inhibitor design. Acta Crystallogr.,Sect.D, 71, 2015
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3DBS
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![BU of 3dbs by Molmil](/molmil-images/mine/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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3CSF
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![BU of 3csf by Molmil](/molmil-images/mine/3csf) | |
3DPD
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![BU of 3dpd by Molmil](/molmil-images/mine/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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5X6O
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![BU of 5x6o by Molmil](/molmil-images/mine/5x6o) | Intact ATR/Mec1-ATRIP/Ddc2 complex | Descriptor: | DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1 | Authors: | Wang, X, Ran, T, Cai, G. | Deposit date: | 2017-02-22 | Release date: | 2017-12-20 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | 3.9 angstrom structure of the yeast Mec1-Ddc2 complex, a homolog of human ATR-ATRIP. Science, 358, 2017
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5Y3R
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![BU of 5y3r by Molmil](/molmil-images/mine/5y3r) | Cryo-EM structure of Human DNA-PK Holoenzyme | Descriptor: | DNA (34-MER), DNA (36-MER), DNA-dependent protein kinase catalytic subunit, ... | Authors: | Yin, X, Liu, M, Tian, Y, Wang, J, Xu, Y. | Deposit date: | 2017-07-29 | Release date: | 2017-09-06 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Cryo-EM structure of human DNA-PK holoenzyme Cell Res., 27, 2017
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6AUD
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![BU of 6aud by Molmil](/molmil-images/mine/6aud) | PI3K-gamma K802T in complex with Cpd 8 10-((1-(tert-butyl)piperidin-4-yl)sulfinyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine | Descriptor: | 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Authors: | Murray, J.M, Ultsch, M. | Deposit date: | 2017-08-31 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.015 Å) | Cite: | Design of Selective Benzoxazepin PI3K delta Inhibitors Through Control of Dihedral Angles. ACS Med Chem Lett, 8, 2017
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6BQ1
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![BU of 6bq1 by Molmil](/molmil-images/mine/6bq1) | Human PI4KIIIa lipid kinase complex | Descriptor: | 5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1H-benzimidazol-6-yl}-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide, Phosphatidylinositol 4-kinase III alpha (PI4KA), Protein FAM126A, ... | Authors: | Lees, J.A, Zhang, Y, Oh, M, Schauder, C.M, Yu, X, Baskin, J, Dobbs, K, Notarangelo, L.D, Camilli, P.D, Walz, T, Reinisch, K.M. | Deposit date: | 2017-11-27 | Release date: | 2017-12-13 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Architecture of the human PI4KIII alpha lipid kinase complex. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3IBE
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![BU of 3ibe by Molmil](/molmil-images/mine/3ibe) | Crystal Structure of a Pyrazolopyrimidine Inhibitor Bound to PI3 Kinase Gamma | Descriptor: | 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Bard, J, Svenson, K. | Deposit date: | 2009-07-15 | Release date: | 2009-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.798 Å) | Cite: | ATP-Competitive Inhibitors of the Mammalian Target of Rapamycin: Design and Synthesis of Highly Potent and Selective Pyrazolopyrimidines. J.Med.Chem., 52, 2009
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7WZW
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![BU of 7wzw by Molmil](/molmil-images/mine/7wzw) | Cryo-EM structure of MEC1-DDC2-MMS | Descriptor: | DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1 | Authors: | Zhang, Q, Zhang, Q. | Deposit date: | 2022-02-19 | Release date: | 2023-03-01 | Last modified: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structures of Mec1/ATR kinase endogenously stimulated by different genotoxins. Cell Discov, 8, 2022
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7WZR
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![BU of 7wzr by Molmil](/molmil-images/mine/7wzr) | Cryo-EM structure of Mec1-HU | Descriptor: | DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1 | Authors: | Zhang, Q, Zhang, Q. | Deposit date: | 2022-02-19 | Release date: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Structures of Mec1/ATR kinase endogenously stimulated by different genotoxins. Cell Discov, 8, 2022
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3IHY
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![BU of 3ihy by Molmil](/molmil-images/mine/3ihy) | Human PIK3C3 crystal structure | Descriptor: | Phosphatidylinositol 3-kinase catalytic subunit type 3 | Authors: | Siponen, M.I, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Kotzsch, A, Kragh Nielsen, T, Moche, M, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schueler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-31 | Release date: | 2009-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Human PIK3C3 crystal structure TO BE PUBLISHED
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5YZ0
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![BU of 5yz0 by Molmil](/molmil-images/mine/5yz0) | Cryo-EM Structure of human ATR-ATRIP complex | Descriptor: | ATR-interacting protein, Serine/threonine-protein kinase ATR | Authors: | Rao, Q, Liu, M, Tian, Y, Wu, Z, Wang, H, Wang, J, Xu, Y. | Deposit date: | 2017-12-11 | Release date: | 2018-01-31 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Cryo-EM structure of human ATR-ATRIP complex. Cell Res., 28, 2018
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6C1S
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![BU of 6c1s by Molmil](/molmil-images/mine/6c1s) | Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile | Authors: | Jacobs, M.D, Griffin, J.P. | Deposit date: | 2018-01-05 | Release date: | 2018-06-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase gamma (PI3K gamma ) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS). J. Med. Chem., 61, 2018
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6DGT
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![BU of 6dgt by Molmil](/molmil-images/mine/6dgt) | Selective PI3K beta inhibitor bound to PI3K delta | Descriptor: | 4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Somoza, J, Villasenor, A, McGrath, M. | Deposit date: | 2018-05-18 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Atropisomerism by Design: Discovery of a Selective and Stable Phosphoinositide 3-Kinase (PI3K) beta Inhibitor. J. Med. Chem., 61, 2018
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3JBZ
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![BU of 3jbz by Molmil](/molmil-images/mine/3jbz) | |