6HD4
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![BU of 6hd4 by Molmil](/molmil-images/mine/6hd4) | ABL1 IN COMPLEX WITH COMPOUND 7 AND IMATINIB (STI-571) | 分子名称: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, 6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide, CHLORIDE ION, ... | 著者 | Cowan-Jacob, S.W. | 登録日 | 2018-08-17 | 公開日 | 2018-10-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1. J. Med. Chem., 61, 2018
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7R26
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![BU of 7r26 by Molmil](/molmil-images/mine/7r26) | PI3K delta in complex with SD5 | 分子名称: | 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Gutmann, S, Rummel, G, Shrestha, B. | 登録日 | 2022-02-04 | 公開日 | 2022-05-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor. J.Med.Chem., 65, 2022
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7R2B
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![BU of 7r2b by Molmil](/molmil-images/mine/7r2b) | PI3Kdelta in complex with an inhibitor | 分子名称: | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Gutmann, S, Rummel, G, Shrestha, B. | 登録日 | 2022-02-04 | 公開日 | 2022-05-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor. J.Med.Chem., 65, 2022
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1OSM
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![BU of 1osm by Molmil](/molmil-images/mine/1osm) | |
5ITD
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![BU of 5itd by Molmil](/molmil-images/mine/5itd) | Crystal structure of PI3K alpha with PI3K delta inhibitor | 分子名称: | 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Knapp, M.S, Elling, R.A. | 登録日 | 2016-03-16 | 公開日 | 2016-09-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors. Acs Med.Chem.Lett., 7, 2016
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3K5V
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![BU of 3k5v by Molmil](/molmil-images/mine/3k5v) | Structure of Abl kinase in complex with imatinib and GNF-2 | 分子名称: | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | 著者 | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | 登録日 | 2009-10-08 | 公開日 | 2010-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors. Nature, 463, 2010
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3MS9
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![BU of 3ms9 by Molmil](/molmil-images/mine/3ms9) | ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket | 分子名称: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, Tyrosine-protein kinase ABL1, ... | 著者 | Cowan-Jacob, S.W, Rummel, G, Fendrich, G. | 登録日 | 2010-04-29 | 公開日 | 2010-05-26 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay. J.Am.Chem.Soc., 132, 2010
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3MSS
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![BU of 3mss by Molmil](/molmil-images/mine/3mss) | |
4ZLO
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![BU of 4zlo by Molmil](/molmil-images/mine/4zlo) | Serine/threonine-protein kinase PAK1 complexed with a dibenzodiazepine: identification of an allosteric site on PAK1 | 分子名称: | 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, GLYCEROL, Serine/threonine-protein kinase PAK 1 | 著者 | Bellamacina, C.R, Bussiere, D.E. | 登録日 | 2015-05-01 | 公開日 | 2015-08-05 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. Acs Med.Chem.Lett., 6, 2015
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6IBB
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![BU of 6ibb by Molmil](/molmil-images/mine/6ibb) | Crystal structure of the rat isoform of the succinate receptor SUCNR1 (GPR91) in complex with a nanobody | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S},5~{R})-hexane-2,5-diol, CHOLESTEROL, ... | 著者 | Haffke, M, Jaakola, V.-P. | 登録日 | 2018-11-29 | 公開日 | 2019-08-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structural basis of species-selective antagonist binding to the succinate receptor. Nature, 574, 2019
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3MPM
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![BU of 3mpm by Molmil](/molmil-images/mine/3mpm) | LCK complexed with a pyrazolopyrimidine | 分子名称: | 1,2-ETHANEDIOL, 4-{(6R,7R)-7-amino-3-[3-(4-methylpiperazin-1-yl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl}phenol, Tyrosine-protein kinase Lck | 著者 | Cowan-Jacob, S.W, Rummel, G. | 登録日 | 2010-04-27 | 公開日 | 2010-06-02 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | New pyrazolo[1,5a]pyrimidines as orally active inhibitors of Lck. Bioorg.Med.Chem.Lett., 20, 2010
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4C3F
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1BT9
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![BU of 1bt9 by Molmil](/molmil-images/mine/1bt9) | OMPF PORIN MUTANT D74A | 分子名称: | PROTEIN (MATRIX PORIN OUTER MEMBRANE PROTEIN F) | 著者 | Philippsen, A, Schirmer, T. | 登録日 | 1998-09-01 | 公開日 | 1999-01-13 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Stability of trimeric OmpF porin: the contributions of the latching loop L2. Biochemistry, 37, 1998
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