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5T2I
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BU of 5t2i by Molmil
mPI3Kd IN COMPLEX WITH 7k
Descriptor: 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L.
Deposit date:2016-08-23
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5T2D
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BU of 5t2d by Molmil
mPI3Kd IN COMPLEX WITH 7j
Descriptor: 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{N},~{N}-dimethyl-pyrazole-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L.
Deposit date:2016-08-23
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5T2M
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BU of 5t2m by Molmil
mPI3Kd IN COMPLEX WITH 7m
Descriptor: 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L.
Deposit date:2016-08-23
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5SWT
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BU of 5swt by Molmil
Crystal Structure of PI3Kalpha in complex with fragments 17 and 27
Descriptor: 3-fluoro-4-methoxyaniline, 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:2016-08-08
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SXC
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BU of 5sxc by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 8
Descriptor: 5-FLUOROURACIL, 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:2016-08-09
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5T2G
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BU of 5t2g by Molmil
mPI3Kd IN COMPLEX WITH 7i
Descriptor: 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L.
Deposit date:2016-08-23
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5SX8
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BU of 5sx8 by Molmil
Crystal Structure of PI3Kalpha in complex with fragments 12 and 15
Descriptor: 6-methylpyridin-2-amine, 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:2016-08-09
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SXJ
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BU of 5sxj by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 29
Descriptor: BENZHYDROXAMIC ACID, 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:2016-08-09
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SXF
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BU of 5sxf by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 9
Descriptor: HYDROXYPHENYL PROPIONIC ACID, 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:2016-08-09
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SXK
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BU of 5sxk by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 18
Descriptor: 2-methylbenzene-1,3-diamine, 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:2016-08-09
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5T7F
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BU of 5t7f by Molmil
PI3Kdelta in complex with the inhibitor GS-643624
Descriptor: 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Somoza, J.R, Villasenor, A.
Deposit date:2016-09-04
Release date:2016-12-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
To Be Published

221051

數據於2024-06-12公開中

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