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 | 2021-09-29 | | 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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6G6W
 | | HUMAN PI3KDELTA IN COMPLEX WITH LIGAND LASW1976 | | 分子名称: | 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 | | 著者 | Segarra, V, Hernandez, B, Jestel, A, Mortel, M, Nagel, S. | | 登録日 | 2018-04-03 | | 公開日 | 2018-11-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | | 主引用文献 | Discovery of a Novel Inhaled PI3K delta Inhibitor for the Treatment of Respiratory Diseases.
J. Med. Chem., 61, 2018
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6GL3
 | | Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44 | | 分子名称: | (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta | | 著者 | Lammens, A, Augustin, M, Steinbacher, S, Reuberson, J. | | 登録日 | 2018-05-22 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Discovery of a Potent, Orally Bioavailable PI4KIII beta Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo.
J. Med. Chem., 61, 2018
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6DGT
 | | Selective PI3K beta inhibitor bound to PI3K delta | | 分子名称: | 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 | | 著者 | Somoza, J, Villasenor, A, McGrath, M. | | 登録日 | 2018-05-18 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | | 主引用文献 | Atropisomerism by Design: Discovery of a Selective and Stable Phosphoinositide 3-Kinase (PI3K) beta Inhibitor.
J. Med. Chem., 61, 2018
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6C1S
 | | Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor | | 分子名称: | 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 | | 著者 | Jacobs, M.D, Griffin, J.P. | | 登録日 | 2018-01-05 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | 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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6GQ7
 | | PI3Kg IN COMPLEX WITH INH | | 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. | | 登録日 | 2018-06-07 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | PI3Kg IN COMPLEX WITH INH
To Be Published
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6FTN
 | | mPI3Kd IN COMPLEX WITH AZ2 | | 分子名称: | Phosphor inositol 3 kinase, ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide | | 著者 | Petersen, J. | | 登録日 | 2018-02-22 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Highly Isoform Selective Orally Bioavailable Phosphoinositide 3-Kinase (PI3K)-gamma Inhibitors.
J. Med. Chem., 61, 2018
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5XGJ
 | | Crystal structure of PI3K complex with an inhibitor | | 分子名称: | 3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | 著者 | Song, K, Yang, X, Zhao, Y, Jian, Z. | | 登録日 | 2017-04-13 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | | 主引用文献 | Crystal structure of PI3K complex with an inhibitor
To Be Published
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5XGH
 | | Crystal structure of PI3K complex with an inhibitor | | 分子名称: | 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Song, K, Yang, X, Zhao, Y, Jian, Z. | | 登録日 | 2017-04-13 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | | 主引用文献 | New Insights into PI3K Inhibitor Design using X-ray Structures of PI3K alpha Complexed with a Potent Lead Compound.
Sci Rep, 7, 2017
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5XGI
 | | Crystal structure of PI3K complex with an inhibitor | | 分子名称: | 3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | 著者 | Song, K, Yang, X, Zhao, Y, Jian, Z. | | 登録日 | 2017-04-13 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Crystal structure of PI3K complex with an inhibitor
To Be Published
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5Y81
 | | NuA4 TEEAA sub-complex | | 分子名称: | Actin, Actin-related protein 4, Chromatin modification-related protein EAF1, ... | | 著者 | Wang, X, Cai, G. | | 登録日 | 2017-08-18 | | 公開日 | 2018-04-18 | | 最終更新日 | 2019-11-06 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Architecture of the Saccharomyces cerevisiae NuA4/TIP60 complex
Nat Commun, 9, 2018
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5ZCS
 | | 4.9 Angstrom Cryo-EM structure of human mTOR complex 2 | | 分子名称: | Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ... | | 著者 | Chen, X, Liu, M, Tian, Y, Wang, H, Wang, J, Xu, Y. | | 登録日 | 2018-02-20 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | | 主引用文献 | Cryo-EM structure of human mTOR complex 2.
Cell Res., 28, 2018
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5YZ0
 | | Cryo-EM Structure of human ATR-ATRIP complex | | 分子名称: | ATR-interacting protein, Serine/threonine-protein kinase ATR | | 著者 | Rao, Q, Liu, M, Tian, Y, Wu, Z, Wang, H, Wang, J, Xu, Y. | | 登録日 | 2017-12-11 | | 公開日 | 2018-01-31 | | 最終更新日 | 2019-11-06 | | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | | 主引用文献 | Cryo-EM structure of human ATR-ATRIP complex.
Cell Res., 28, 2018
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6EZ6
 | | PI3 kinase delta in complex with Methyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methyl 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylate | | 著者 | Convery, M.A, Campos, S, Dalton, S.E. | | 登録日 | 2017-11-14 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition.
J. Am. Chem. Soc., 140, 2018
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5WBU
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5WBY
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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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6EYZ
 | | PI3 kinase delta in complex with 4-Fluorophenyl 5-(4-(5-((4-isopropylpiperazin-1-yl)methyl)oxazol-2-yl)-1H-indazol-6-yl)-2-methoxynicotinate | | 分子名称: | 2-methoxy-5-[4-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-2~{H}-indazol-6-yl]pyridine-3-carboxylic acid, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Convery, M.A, Campos, S, Dalton, S.E. | | 登録日 | 2017-11-13 | | 公開日 | 2017-12-20 | | 最終更新日 | 2018-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Selectively Targeting the Kinome-Conserved Lysine of PI3K delta as a General Approach to Covalent Kinase Inhibition.
J. Am. Chem. Soc., 140, 2018
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6BCX
 | | mTORC1 structure refined to 3.0 angstroms | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E-binding protein 1, MAGNESIUM ION, ... | | 著者 | Pavletich, N.P, Yang, H. | | 登録日 | 2017-10-20 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
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6BCU
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6BQ1
 | | Human PI4KIIIa lipid kinase complex | | 分子名称: | 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, ... | | 著者 | 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. | | 登録日 | 2017-11-27 | | 公開日 | 2017-12-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Architecture of the human PI4KIII alpha lipid kinase complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6EMK
 | | Cryo-EM Structure of Saccharomyces cerevisiae Target of Rapamycin Complex 2 | | 分子名称: | Serine/threonine-protein kinase TOR2, Target of rapamycin complex 2 subunit AVO1, Target of rapamycin complex 2 subunit AVO2, ... | | 著者 | Karuppasamy, M, Kusmider, B, Oliveira, T.M, Gaubitz, C, Prouteau, M, Loewith, R, Schaffitzel, C. | | 登録日 | 2017-10-02 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (7.9 Å) | | 主引用文献 | Cryo-EM structure of Saccharomyces cerevisiae target of rapamycin complex 2.
Nat Commun, 8, 2017
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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 | | 分子名称: | 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 | | 著者 | Murray, J.M, Ultsch, M. | | 登録日 | 2017-08-31 | | 公開日 | 2017-11-15 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.015 Å) | | 主引用文献 | Design of Selective Benzoxazepin PI3K delta Inhibitors Through Control of Dihedral Angles.
ACS Med Chem Lett, 8, 2017
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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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