4N0T
 
 | | Core structure of the U6 small nuclear ribonucleoprotein at 1.7 Angstrom resolution | | 分子名称: | SULFATE ION, U4/U6 snRNA-associated-splicing factor PRP24, U6 snRNA | | 著者 | Montemayor, E.J, Curran, E.C, Liao, H, Andrews, K.L, Treba, C.N, Butcher, S.E, Brow, D.A. | | 登録日 | 2013-10-02 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Core structure of the U6 small nuclear ribonucleoprotein at 1.7- angstrom resolution.
Nat.Struct.Mol.Biol., 21, 2014
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4MSU
 | | Human GKRP bound to AMG-6861 and Sorbitol-6-phosphate | | 分子名称: | 1,1,1,3,3,3-hexafluoro-2-{4-[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | 著者 | Ashton, K.S, Andrews, K.L, Bryan, M.C, Chen, J, Chen, K, Chen, M, Chmait, S, Croghan, M, Cupples, R, Fotsch, C, Helmering, J, Jordan, S.R, Kurzeja, R.J, Michelsen, K, Pennington, L.D, Poon, S.F, Sivits, G, Van, G, Vonderfecht, S.L, Wahl, R.C, Zhang, J, Lloyd, D.J, Hale, C, St Jean, D.J. | | 登録日 | 2013-09-18 | | 公開日 | 2014-03-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Small Molecule Disruptors of the Glucokinase-Glucokinase Regulatory Protein Interaction: 1. Discovery of a Novel Tool Compound for in Vivo Proof-of-Concept.
J.Med.Chem., 57, 2014
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5IPJ
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4PHW
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4PX2
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4PXS
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5EOL
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5KZI
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4PX5
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4PX3
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4TPP
 | | 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors | | 分子名称: | 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone, GLYCEROL, SULFATE ION, ... | | 著者 | Chmait, S. | | 登録日 | 2014-06-09 | | 公開日 | 2014-12-17 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility.
Bioorg.Med.Chem., 22, 2014
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4TPM
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4TY1
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4RPV
 | | co-crystal structure of Pim1 with compound 3 | | 分子名称: | (3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine, Serine/threonine-protein kinase pim-1 | | 著者 | Huang, X. | | 登録日 | 2014-10-31 | | 公開日 | 2015-02-04 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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4U6R
 | | Crystal structure of human IRE1 cytoplasmic domains in complex with a sulfonamide inhibitor. | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide, ... | | 著者 | Mohr, C. | | 登録日 | 2014-07-29 | | 公開日 | 2014-10-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
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4U79
 | | Crystal structure of human JNK3 in complex with a benzenesulfonamide inhibitor. | | 分子名称: | Mitogen-activated protein kinase 10, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide | | 著者 | Mohr, C. | | 登録日 | 2014-07-30 | | 公開日 | 2014-10-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
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6CNU
 | | Crystal Structure of JzTX-V | | 分子名称: | BROMIDE ION, GLYCEROL, JzTx-V, ... | | 著者 | Min, X, Wang, Z. | | 登録日 | 2018-03-09 | | 公開日 | 2019-03-06 | | 最終更新日 | 2020-03-04 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Discovery of Tarantula Venom-Derived NaV1.7-Inhibitory JzTx-V Peptide 5-Br-Trp24 Analogue AM-6120 with Systemic Block of Histamine-Induced Pruritis.
J. Med. Chem., 61, 2018
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7JQD
 | | Crystal Structure of PAC1r in complex with peptide antagonist | | 分子名称: | Peptide-43, Pituitary adenylate cyclase-activating polypeptide type I receptor | | 著者 | Piper, D.E, Hu, E, Fang-Tsao, H. | | 登録日 | 2020-08-10 | | 公開日 | 2021-03-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model.
J.Med.Chem., 64, 2021
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6MT0
 | | Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolodihydropyrrolone inhibitor | | 分子名称: | 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | | 著者 | Mohr, C. | | 登録日 | 2018-10-18 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of ( R)-8-(6-Methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4- b]pyrrol-2-yl)-3-(1-methylcyclopropyl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3 H)-one, a Potent and Selective Pim-1/2 Kinase Inhibitor for Hematological Malignancies.
J. Med. Chem., 62, 2019
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3S2A
 | | Crystal structure of PI3K-gamma in complex with a quinoline inhibitor | | 分子名称: | N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | | 登録日 | 2011-05-16 | | 公開日 | 2011-06-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives.
J.Med.Chem., 54, 2011
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4LY9
 | | Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate | | 分子名称: | (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ... | | 著者 | Jordan, S.R. | | 登録日 | 2013-07-30 | | 公開日 | 2013-11-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors.
Nature, 504, 2013
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4F1S
 | | Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor | | 分子名称: | N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | | 登録日 | 2012-05-07 | | 公開日 | 2012-08-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold.
Bioorg.Med.Chem.Lett., 22, 2012
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4DDL
 | | PDE10a Crystal Structure Complexed with Novel Inhibitor | | 分子名称: | 2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-ol, SULFATE ION, ZINC ION, ... | | 著者 | Chmait, S, Jordan, S, Zhang, J. | | 登録日 | 2012-01-18 | | 公開日 | 2012-03-21 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Discovery of potent, selective, and metabolically stable 4-(pyridin-3-yl)cinnolines as novel phosphodiesterase 10A (PDE10A) inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4DK5
 | | Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine inhibitor | | 分子名称: | 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | | 登録日 | 2012-02-03 | | 公開日 | 2012-05-16 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Structure-based design of a novel series of potent, selective inhibitors of the class I phosphatidylinositol 3-kinases.
J.Med.Chem., 55, 2012
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4FLH
 | | Crystal structure of human PI3K-gamma in complex with AMG511 | | 分子名称: | 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | | 登録日 | 2012-06-14 | | 公開日 | 2012-08-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511.
J.Med.Chem., 55, 2012
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