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3ZIM
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BU of 3zim by Molmil
Discovery of a potent and isoform-selective targeted covalent inhibitor of the lipid kinase PI3Kalpha
Descriptor: 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4-dione, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM
Authors:Nacht, M, Qiao, L, Sheets, M.P, Martin, T.S, Labenski, M, Mazdiyasni, H, Karp, R, Zhu, Z, Chaturvedi, P, Bhavsar, D, Niu, D, Westlin, W, Petter, R.C, Medikonda, A.P, Jestel, A, Blaesse, M, Singh, J.
Deposit date:2013-01-09
Release date:2013-02-13
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of a Potent and Isoform-Selective Targeted Covalent Inhibitor of the Lipid Kinase Pi3Kalpha
J.Med.Chem., 56, 2013
3OYP
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BU of 3oyp by Molmil
HCV NS3/4A in complex with ligand 3
Descriptor: Non-structural protein 4A, Peptidomimetic inhibitor, Serine protease NS3, ...
Authors:Hagel, M, Niu, D, St.Martin, T, Sheets, M.P, Qiao, L, Bernard, H, Karp, R.M, Zhu, Z, Labenski, M.T, Chaturvedi, P.C, Nacht, M, Westlin, W.F, Petter, R.C, Singh, J.
Deposit date:2010-09-23
Release date:2010-12-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Selective irreversible inhibition of a protease by targeting a noncatalytic cysteine.
Nat.Chem.Biol., 7, 2011
7N13
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BU of 7n13 by Molmil
Crystal structure of MTH1 in complex with compound 32
Descriptor: 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Eron, S.J.
Deposit date:2021-05-26
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
7N03
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BU of 7n03 by Molmil
Crystal structure of MTH1 in complex with compound 31
Descriptor: 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
Authors:Eron, S.J.
Deposit date:2021-05-24
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021

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