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6DXK
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BU of 6dxk by Molmil
Glucocorticoid Receptor in complex with Compound 11
分子名称: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name), Glucocorticoid receptor
著者Rew, Y, Du, X, Eksterowicz, J, Zhou, H, Jahchan, N, Zhu, L, Yan, X, Kawai, H, McGee, L.R, Medina, J.C, Huang, T, Chen, C, Zavorotinskaya, T, Sutimantanapi, D, Waszczuk, J, Jackson, E, Huang, E, Ye, Q, Fantin, V.R, Daqing, S.
登録日2018-06-29
公開日2018-10-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101).
J. Med. Chem., 61, 2018
5OQ4
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BU of 5oq4 by Molmil
PQR309 - a Potent, Brain-Penetrant, Orally Bioavailable, pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology
分子名称: 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Williams, R.L, Zhang, X.
登録日2017-08-10
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PQR309), a Potent, Brain-Penetrant, Orally Bioavailable, Pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology.
J. Med. Chem., 60, 2017
5CEH
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BU of 5ceh by Molmil
Structure of histone lysine demethylase KDM5A in complex with selective inhibitor
分子名称: 7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, NICKEL (II) ION, ...
著者Kiefer, J.R, Vinogradova, M.
登録日2015-07-06
公開日2016-05-18
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献An inhibitor of KDM5 demethylases reduces survival of drug-tolerant cancer cells.
Nat.Chem.Biol., 12, 2016

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件を2024-09-04に公開中

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