6S8F
 
 | | Structure of nucleotide-bound Tel1/ATM | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1 | | 著者 | Yates, L.A, Williams, R.M, Ayala, R, Zhang, X. | | 登録日 | 2019-07-09 | | 公開日 | 2019-10-30 | | 最終更新日 | 2020-01-15 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Cryo-EM Structure of Nucleotide-Bound Tel1ATMUnravels the Molecular Basis of Inhibition and Structural Rationale for Disease-Associated Mutations.
Structure, 28, 2020
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6SB0
 | | cryo-EM structure of mTORC1 bound to PRAS40-fused active RagA/C GTPases | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Proline-rich AKT1 substrate 1, ... | | 著者 | Anandapadamanaban, M, Berndt, A, Masson, G.R, Perisic, O, Williams, R.L. | | 登録日 | 2019-07-18 | | 公開日 | 2019-10-16 | | 最終更新日 | 2019-10-23 | | 実験手法 | ELECTRON MICROSCOPY (5.5 Å) | | 主引用文献 | Architecture of human Rag GTPase heterodimers and their complex with mTORC1.
Science, 366, 2019
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6SB2
 | | cryo-EM structure of mTORC1 bound to active RagA/C GTPases | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Ras-related GTP-binding protein A, ... | | 著者 | Anandapadamanaban, M, Berndt, A, Masson, G.R, Perisic, O, Williams, R.L. | | 登録日 | 2019-07-18 | | 公開日 | 2019-10-16 | | 最終更新日 | 2019-10-23 | | 実験手法 | ELECTRON MICROSCOPY (6.2 Å) | | 主引用文献 | Architecture of human Rag GTPase heterodimers and their complex with mTORC1.
Science, 366, 2019
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6GVF
 | | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine | | 分子名称: | 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | | 登録日 | 2018-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6GVH
 | | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-4-chloro-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine | | 分子名称: | 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | | 登録日 | 2018-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6GVI
 | | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine | | 分子名称: | 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | | 登録日 | 2018-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6GVG
 | | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine | | 分子名称: | 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | | 登録日 | 2018-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6HI1
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6HI9
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6HI2
 | | PI3 Kinase Delta in complex with 3{6[(1S,6R)3oxabicyclo[4.1.0]heptan6yl]pyridin2yl}phenol | | 分子名称: | 3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Convery, M.A, Summers, D, Peace, S. | | 登録日 | 2018-08-29 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A theoretical and experimental investigation into the conformational bias of aryl cyclopropylpyrans, novel bioisosteres for N-aryl morpholines.
to be published
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6PYR
 | | Human PI3Kdelta 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, 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 (2.21 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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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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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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6JXA
 | | Tel1 kinase compact monomer | | 分子名称: | Serine/threonine-protein kinase TEL1 | | 著者 | Xin, J. | | 登録日 | 2019-04-23 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Structural basis of allosteric regulation of Tel1/ATM kinase.
Cell Res., 29, 2019
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6JXC
 | | Tel1 kinase butterfly symmetric dimer | | 分子名称: | Serine/threonine-protein kinase TEL1 | | 著者 | Xin, J. | | 登録日 | 2019-04-23 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Structural basis of allosteric regulation of Tel1/ATM kinase.
Cell Res., 29, 2019
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6OAC
 | | PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha | | 分子名称: | 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Burke, J.E, McPhail, J.A. | | 登録日 | 2019-03-15 | | 公開日 | 2019-06-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | (S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase.
J.Med.Chem., 62, 2019
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6IG9
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6MUM
 | | Murine PI3K delta kinsae domain - cpd 3 | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, [(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone | | 著者 | Fischmann, T.O. | | 登録日 | 2018-10-23 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
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6MUL
 | | Murine PI3K delta kinsae domain - cpd 1 | | 分子名称: | 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Fischmann, T.O. | | 登録日 | 2018-10-23 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
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6I3U
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6GY0
 | | mPI3Kd IN COMPLEX WITH AZ3 | | 分子名称: | 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 | | 著者 | Petersen, J. | | 登録日 | 2018-06-27 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | A class of highly selective inhibitors bind to an active state of PI3K gamma.
Nat.Chem.Biol., 15, 2019
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6NCT
 | | Structure of p110alpha/niSH2 - vector data collection | | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ... | | 著者 | Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B. | | 登録日 | 2018-12-12 | | 公開日 | 2019-02-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
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6FH5
 | | PI3Kg IN COMPLEX WITH Compound 7 | | 分子名称: | 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 | | 著者 | Petersen, J, Barlaam, B. | | 登録日 | 2018-01-12 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | 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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6Q74
 | | PI3K delta in complex with 1benzylN[5(3,6dihydro2Hpyran4yl)2methoxypyridin3yl]2methyl1Himidazole4sulfonamide | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide | | 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 | 2021-09-29 | | 実験手法 | X-RAY DIFFRACTION (2.48 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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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 | 2021-09-29 | | 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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