6DXK
 
 | | 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
|
|
5DWR
 | | Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies | | 分子名称: | N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | | 著者 | Bellamacina, C, Bussiere, D, Burger, M. | | 登録日 | 2015-09-22 | | 公開日 | 2015-11-11 | | 最終更新日 | 2015-11-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.
J.Med.Chem., 58, 2015
|
|
7JV8
 | | Human CD73 (ecto 5'-nucleotidase) in complex with compound 35 | | 分子名称: | 5'-nucleotidase, 6-chloro-N-cyclopentyl-1-{5-O-[(2R)-1-hydroxy-3-methoxy-2-phosphonopropan-2-yl]-beta-D-ribofuranosyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, ... | | 著者 | Gibbons, P, Du, X. | | 登録日 | 2020-08-20 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
|
|
7JV9
 | | Human CD73 (ecto 5'-nucleotidase) in complex with compound 12 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, 6-chloro-N-[(2-chlorophenyl)methyl]-1-[5-O-(phosphonomethyl)-beta-D-ribofuranosyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ... | | 著者 | Gibbons, P, Du, X. | | 登録日 | 2020-08-20 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Orally Bioavailable Small-Molecule CD73 Inhibitor (OP-5244) Reverses Immunosuppression through Blockade of Adenosine Production.
J.Med.Chem., 63, 2020
|
|
5IIS
 | | Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl-amide scaffold | | 分子名称: | 3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase pim-1 | | 著者 | Bellamacina, C, Bussiere, D, Burger, M. | | 登録日 | 2016-03-01 | | 公開日 | 2016-04-06 | | 最終更新日 | 2016-05-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold.
Bioorg.Med.Chem.Lett., 26, 2016
|
|
4N70
 | | Pim1 Complexed with a pyridylcarboxamide | | 分子名称: | N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | | 著者 | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | | 登録日 | 2013-10-14 | | 公開日 | 2013-11-06 | | 最終更新日 | 2014-07-02 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
|
|
4N6Y
 | | Pim1 Complexed with a phenylcarboxamide | | 分子名称: | 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 | | 著者 | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | | 登録日 | 2013-10-14 | | 公開日 | 2013-11-06 | | 最終更新日 | 2014-07-02 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
|
|
4N6Z
 | | Pim1 Complexed with a pyridylcarboxamide | | 分子名称: | 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1 | | 著者 | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | | 登録日 | 2013-10-14 | | 公開日 | 2013-11-06 | | 最終更新日 | 2014-07-02 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
ACS Med Chem Lett, 4, 2013
|
|
