6DL8
 
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4J6I
 | | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform | | 分子名称: | 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Murray, J.M, Rouge, L, Wu, P. | | 登録日 | 2013-02-11 | | 公開日 | 2013-08-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform.
Bioorg.Med.Chem.Lett., 23, 2013
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6TR5
 | | Melatonin-Notum complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2019-12-17 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.509 Å) | | 主引用文献 | Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
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6TR7
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6TR6
 | | N-acetylserotonin-Notum complex | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jones, E.Y. | | 登録日 | 2019-12-17 | | 公開日 | 2020-01-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
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6UUR
 | | Human prion protein fibril, M129 variant | | 分子名称: | Major prion protein | | 著者 | Glynn, C, Sawaya, M.R, Ge, P, Zhou, Z.H, Rodriguez, J.A. | | 登録日 | 2019-10-31 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Cryo-EM structure of a human prion fibril with a hydrophobic, protease-resistant core.
Nat.Struct.Mol.Biol., 27, 2020
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5WIK
 | | JAK2 Pseudokinase in complex with BI-D1870 | | 分子名称: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, Tyrosine-protein kinase JAK2 | | 著者 | Li, Q, Eck, M.J, Li, K, Park, E. | | 登録日 | 2017-07-19 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
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5WIM
 | | JAK2 Pseudokinase in complex with AT9283 | | 分子名称: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Tyrosine-protein kinase JAK2 | | 著者 | Li, Q, Eck, M.J, Li, K, Park, E. | | 登録日 | 2017-07-19 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
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5WIJ
 | | JAK2 Pseudokinase in complex with NU6140 | | 分子名称: | 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2 | | 著者 | Li, Q, Eck, M.J, Li, K, Park, E. | | 登録日 | 2017-07-19 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
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5WIL
 | | JAK2 Pseudokinase in complex with AZD7762 | | 分子名称: | 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, Tyrosine-protein kinase JAK2 | | 著者 | Li, Q, Eck, M.J, Li, K, Park, E. | | 登録日 | 2017-07-19 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
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6PQ5
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6PQA
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7RVG
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7RVH
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7RVI
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7RVL
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7RVE
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7RVC
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7RVK
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7RVF
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7RVJ
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5M5Q
 | | COPS5(2-257) IN COMPLEX WITH A AZAINDOLE (COMPOUND 4) | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-[(3~{R})-3-(1~{H}-benzimidazol-2-yl)morpholin-4-yl]-3-[2-(4-methyl-2-phenyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]propan-1-one, COP9 signalosome complex subunit 5, ... | | 著者 | Renatus, M, Altmann, E. | | 登録日 | 2016-10-22 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Azaindoles as Zinc-Binding Small-Molecule Inhibitors of the JAMM Protease CSN5.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4X5Z
 | | menin in complex with MI-136 | | 分子名称: | 1,2-ETHANEDIOL, 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | | 著者 | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | | 登録日 | 2014-12-06 | | 公開日 | 2015-04-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Cancer Cell, 27, 2015
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4X5Y
 | | Menin in complex with MI-503 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, ... | | 著者 | Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J. | | 登録日 | 2014-12-06 | | 公開日 | 2015-04-15 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Cancer Cell, 27, 2015
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5JOG
 | | CRYSTAL STRUCTURE OF CSN5(2-257) IN COMPLEX WITH CNS5i-3 | | 分子名称: | 3-(difluoromethyl)-N-{6-[(5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-yl}-1-(propan-2-yl)-1H-pyrazole-5-carboxamide, COP9 signalosome complex subunit 5, ZINC ION | | 著者 | Renatus, M, Wiesmann, C. | | 登録日 | 2016-05-02 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Targeted inhibition of the COP9 signalosome for treatment of cancer.
Nat Commun, 7, 2016
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