5OJS
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5OQ4
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![BU of 5oq4 by Molmil](/molmil-images/mine/5oq4) | PQR309 - a Potent, Brain-Penetrant, Orally Bioavailable, pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology | 分子名称: | 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Williams, R.L, Zhang, X. | 登録日 | 2017-08-10 | 公開日 | 2017-09-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | 5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PQR309), a Potent, Brain-Penetrant, Orally Bioavailable, Pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology. J. Med. Chem., 60, 2017
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5NP0
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![BU of 5np0 by Molmil](/molmil-images/mine/5np0) | Closed dimer of human ATM (Ataxia telangiectasia mutated) | 分子名称: | Serine-protein kinase ATM | 著者 | Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L. | 登録日 | 2017-04-13 | 公開日 | 2017-05-17 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | 主引用文献 | Structures of closed and open conformations of dimeric human ATM. Sci Adv, 3, 2017
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5OEJ
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![BU of 5oej by Molmil](/molmil-images/mine/5oej) | Structure of Tra1 subunit within the chromatin modifying complex SAGA | 分子名称: | Tra1 subunit within the chromatin modifying complex SAGA | 著者 | Sharov, G, Voltz, K, Durand, A, Kolesnikova, O, Papai, G, Myasnikov, A.G, Dejaegere, A, Ben-Shem, A, Schultz, P. | 登録日 | 2017-07-07 | 公開日 | 2017-08-02 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | 主引用文献 | Structure of the transcription activator target Tra1 within the chromatin modifying complex SAGA. Nat Commun, 8, 2017
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5NCY
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![BU of 5ncy by Molmil](/molmil-images/mine/5ncy) | mPI3Kd IN COMPLEX WITH inh1 | 分子名称: | 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, ... | 著者 | Petersen, J. | 登録日 | 2017-03-06 | 公開日 | 2017-06-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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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5O83
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![BU of 5o83 by Molmil](/molmil-images/mine/5o83) | Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors | 分子名称: | Leniolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Gutmann, S, Rummel, G, Shrestha, B. | 登録日 | 2017-06-12 | 公開日 | 2017-09-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors. ACS Med Chem Lett, 8, 2017
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5NGB
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5NP1
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![BU of 5np1 by Molmil](/molmil-images/mine/5np1) | Open protomer of human ATM (Ataxia telangiectasia mutated) | 分子名称: | Serine-protein kinase ATM | 著者 | Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L. | 登録日 | 2017-04-13 | 公開日 | 2017-05-17 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | 主引用文献 | Structures of closed and open conformations of dimeric human ATM. Sci Adv, 3, 2017
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5NCZ
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![BU of 5ncz by Molmil](/molmil-images/mine/5ncz) | mPI3Kd IN COMPLEX WITH inh1 | 分子名称: | 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 | 著者 | Petersen, J. | 登録日 | 2017-03-06 | 公開日 | 2017-06-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | 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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6Q6Y
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![BU of 6q6y by Molmil](/molmil-images/mine/6q6y) | PI3K delta in complex with N(2chloro5phenylpyridin3yl)benzenesulfonamide | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide | 著者 | Convery, M.A, Rowland, P, Down, K, Barton, N. | 登録日 | 2018-12-12 | 公開日 | 2018-12-26 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach. J.Med.Chem., 61, 2018
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6PYS
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![BU of 6pys by Molmil](/molmil-images/mine/6pys) | Human PI3Kalpha in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one) | 分子名称: | (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, GLYCEROL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Lesburg, C.A, Augustin, M.A. | 登録日 | 2019-07-30 | 公開日 | 2019-08-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow. Bioorg.Med.Chem.Lett., 29, 2019
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6T3C
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![BU of 6t3c by Molmil](/molmil-images/mine/6t3c) | Crystal structure of PI3Kgamma in complex with DNA-PK inhibitor AZD7648 | 分子名称: | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | 登録日 | 2019-10-10 | 公開日 | 2020-01-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
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6T9J
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![BU of 6t9j by Molmil](/molmil-images/mine/6t9j) | SAGA Tra1 module | 分子名称: | Transcription factor SPT20, Transcription initiation factor TFIID subunit 12, Transcription-associated protein 1 | 著者 | Wang, H, Cheung, A, Cramer, P. | 登録日 | 2019-10-28 | 公開日 | 2020-01-29 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structure of the transcription coactivator SAGA. Nature, 577, 2020
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5I0N
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![BU of 5i0n by Molmil](/molmil-images/mine/5i0n) | PI4K IIalpha bound to calcium | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Phosphatidylinositol 4-kinase type 2-alpha,Lysozyme,Phosphatidylinositol 4-kinase type 2-alpha | 著者 | Baumlova, A, Boura, E. | 登録日 | 2016-02-04 | 公開日 | 2016-03-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | PI4K IIalpha bound to calcium To Be Published
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5IS5
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5JHB
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![BU of 5jhb by Molmil](/molmil-images/mine/5jhb) | Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin3 | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol | 著者 | Burke, J.E, Inglis, A.J, Williams, R.L. | 登録日 | 2016-04-20 | 公開日 | 2017-03-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
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5I6U
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![BU of 5i6u by Molmil](/molmil-images/mine/5i6u) | The crystal structure of PI3Kdelta with compound 32 | 分子名称: | 2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Somoza, J.R, Villasenor, A.G. | 登録日 | 2016-02-16 | 公開日 | 2017-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.842 Å) | 主引用文献 | The crystal structure of PI3Kdelta with compound 32 To Be Published
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6SL1
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![BU of 6sl1 by Molmil](/molmil-images/mine/6sl1) | Structure of the open conformation of CtTel1 | 分子名称: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1 | 著者 | Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P. | 登録日 | 2019-08-16 | 公開日 | 2019-10-30 | 最終更新日 | 2020-05-13 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State. Structure, 28, 2020
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6SKZ
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![BU of 6skz by Molmil](/molmil-images/mine/6skz) | Structure of the closed conformation of CtTel1 | 分子名称: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1 | 著者 | Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P. | 登録日 | 2019-08-16 | 公開日 | 2019-10-30 | 最終更新日 | 2020-01-15 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State. Structure, 28, 2020
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5W1R
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![BU of 5w1r by Molmil](/molmil-images/mine/5w1r) | Cryo-EM structure of DNAPKcs | 分子名称: | DNA-dependent protein kinase catalytic subunit | 著者 | Sharif, H, Li, Y, Wu, H. | 登録日 | 2017-06-04 | 公開日 | 2017-07-19 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Cryo-EM structure of the DNA-PK holoenzyme. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6PYU
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![BU of 6pyu by Molmil](/molmil-images/mine/6pyu) | Human PI3Kdelta in complex with Compound 4-2 ((3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one) | 分子名称: | (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Lesburg, C.A, Augustin, M.A. | 登録日 | 2019-07-30 | 公開日 | 2019-08-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow. Bioorg.Med.Chem.Lett., 29, 2019
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6Q73
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![BU of 6q73 by Molmil](/molmil-images/mine/6q73) | PI3K delta in complex with N[2chloro5(3,6dihydro2Hpyran4yl)pyridin3yl]methanesulfonamide | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide | 著者 | Convery, M.A, Rowland, P, Down, K, Barton, N. | 登録日 | 2018-12-12 | 公開日 | 2018-12-26 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach. J.Med.Chem., 61, 2018
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6TNS
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![BU of 6tns by Molmil](/molmil-images/mine/6tns) | PI3K delta in complex with 2methoxyN[2methoxy5(7{[(2R)4(oxetan3 yl)morpholin2yl]methoxy}1,3dihydro2 benzofuran5yl)pyridin3yl]ethane1 sulfonamide | 分子名称: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | 登録日 | 2019-12-10 | 公開日 | 2020-01-01 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target. J.Med.Chem., 63, 2020
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5X6O
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![BU of 5x6o by Molmil](/molmil-images/mine/5x6o) | Intact ATR/Mec1-ATRIP/Ddc2 complex | 分子名称: | DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1 | 著者 | Wang, X, Ran, T, Cai, G. | 登録日 | 2017-02-22 | 公開日 | 2017-12-20 | 最終更新日 | 2019-11-06 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | 3.9 angstrom structure of the yeast Mec1-Ddc2 complex, a homolog of human ATR-ATRIP. Science, 358, 2017
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6T3B
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![BU of 6t3b by Molmil](/molmil-images/mine/6t3b) | Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 4) | 分子名称: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Petersen, J, Oster, L, Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | 登録日 | 2019-10-10 | 公開日 | 2020-01-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor. J.Med.Chem., 63, 2020
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