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5AE8
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BU of 5ae8 by Molmil
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:2024-06-19
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
5AE9
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BU of 5ae9 by Molmil
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:2024-06-19
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
5LP1
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BU of 5lp1 by Molmil
CRYSTAL STRUCTURE OF HUMAN LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 IN COMPLEX WITH A [1.1.1]BICYCLOPENTANE-CONTAINING INHIBITOR AT 1.91A RESOLUTION.
Descriptor: CHLORIDE ION, Platelet-activating factor acetylhydrolase, ~{N}-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5~{H}-cyclopenta[d]pyrimidin-1-yl]-~{N}-[[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]methyl]ethanamide
Authors:Somers, D.
Deposit date:2016-08-11
Release date:2017-02-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Investigation of a Bicyclo[1.1.1]pentane as a Phenyl Replacement within an LpPLA2 Inhibitor.
ACS Med Chem Lett, 8, 2017
8Q6F
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BU of 8q6f by Molmil
HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 4)
Descriptor: 1,2-ETHANEDIOL, 3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-2,5-dimethyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine, GLYCEROL, ...
Authors:Somers, D.O.
Deposit date:2023-08-11
Release date:2023-12-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.506 Å)
Cite:Covalent targeting of non-cysteine residues in PI4KIII beta.
Rsc Chem Biol, 4, 2023
8Q6G
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BU of 8q6g by Molmil
HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 8)
Descriptor: 1,2-ETHANEDIOL, 3-(3,4-dimethoxyphenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine, MAGNESIUM ION, ...
Authors:Somers, D.O.
Deposit date:2023-08-11
Release date:2023-12-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:Covalent targeting of non-cysteine residues in PI4KIII beta.
Rsc Chem Biol, 4, 2023
8Q6H
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BU of 8q6h by Molmil
HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 11)
Descriptor: 1,2-ETHANEDIOL, 3-(3-fluorosulfonyloxy-4-methoxy-phenyl)-7-[(4-fluorosulfonyloxyphenyl)methylamino]-2,5-dimethyl-pyrazolo[1,5-a]pyrimidine, MAGNESIUM ION, ...
Authors:Somers, D.O.
Deposit date:2023-08-11
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Covalent targeting of non-cysteine residues in PI4KIII beta.
Rsc Chem Biol, 4, 2023

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