4XOY
 
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | 2-amino-1,9-dihydro-6H-purine-6-thione, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-16 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4XNE
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | 1-phenyl-1H-1,2,4-triazole-3,5-diamine, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-15 | | 公開日 | 2015-08-12 | | 最終更新日 | 2015-08-19 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4XKH
 | | CRYSTAL STRUCTURE OF THE AIRAPL TANDEM UIMS IN COMPLEX WITH A LYS48-LINKED TRI-UBIQUITIN | | 分子名称: | AN1-type zinc finger protein 2B, Polyubiquitin-C | | 著者 | Rahighi, S, Kawasaki, M, Stanhill, A, Wakatsuki, S. | | 登録日 | 2015-01-11 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Selective Binding of AIRAPL Tandem UIMs to Lys48-Linked Tri-Ubiquitin Chains.
Structure, 24, 2016
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4XJK
 | | Crystal structure of Mn(II) Ca(II) Na(I) bound calprotectin | | 分子名称: | CALCIUM ION, MANGANESE (II) ION, Protein S100-A8, ... | | 著者 | Drennan, C.L, Bowman, S.E.J. | | 登録日 | 2015-01-08 | | 公開日 | 2015-04-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Manganese Binding Properties of Human Calprotectin under Conditions of High and Low Calcium: X-ray Crystallographic and Advanced Electron Paramagnetic Resonance Spectroscopic Analysis.
J.Am.Chem.Soc., 137, 2015
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4XJ0
 | | Crystal structure of ERK2 in complex with an inhibitor 14K | | 分子名称: | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1 | | 著者 | Yin, J, Wang, W. | | 登録日 | 2015-01-08 | | 公開日 | 2015-09-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
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4XFZ
 | | Structure of the native full-length HIV-1 capsid protein in complex with PF-3450074 (PF74) | | 分子名称: | CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ... | | 著者 | Gres, A.T, Kirby, K.A, Sarafianos, S.G. | | 登録日 | 2014-12-29 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability.
Science, 349, 2015
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4XFY
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4XFX
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4X21
 | | The MAP kinase JNK3 as target for halogen bonding | | 分子名称: | CHLORIDE ION, Mitogen-activated protein kinase 10, N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide | | 著者 | Lange, A, Buettner, F.M, Guenther, M.B, Zimmermann, M.O, Hennig, S, Laufer, S.A, Stehle, T, Boeckler, F. | | 登録日 | 2014-11-25 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond.
J.Am.Chem.Soc., 137, 2015
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4WYM
 | | Structural basis of HIV-1 capsid recognition by CPSF6 | | 分子名称: | Capsid protein p24, ISOFORM 2 OF CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 6 | | 著者 | Battacharya, A, Taylor, A.B, Hart, P.J, Ivanov, D.N. | | 登録日 | 2014-11-17 | | 公開日 | 2014-12-17 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural basis of HIV-1 capsid recognition by PF74 and CPSF6.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4WHZ
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4W4Y
 | | JNK2/3 in complex with 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | | 分子名称: | 3-(4-{[(4-methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3 | | 著者 | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | | 登録日 | 2014-08-15 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
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4W4X
 | | JNK2/3 in complex with 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | | 分子名称: | 3-(4-{[(4-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-jun NH2-terminal kinase 3 | | 著者 | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | | 登録日 | 2014-08-15 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
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4W4W
 | | JNK2/3 in complex with N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide | | 分子名称: | N-(2-methylpyridin-4-yl)-3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}benzamide, c-Jun N-terminal kinase 3 | | 著者 | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | | 登録日 | 2014-08-15 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
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4W4V
 | | JNK2/3 in complex with 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | | 分子名称: | 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-Jun N-terminal kinase 3 | | 著者 | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | | 登録日 | 2014-08-15 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles.
Sci Rep, 5, 2015
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4UED
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4U81
 | | MEK1 Kinase bound to small molecule inhibitor G659 | | 分子名称: | 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Robarge, K.D, Ultsch, M.H, Weismann, C. | | 登録日 | 2014-07-31 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | | 主引用文献 | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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4U80
 | | MEK 1 kinase bound to G799 | | 分子名称: | 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Ultsch, M.H, Robarge, K.D, Weismann, C. | | 登録日 | 2014-07-31 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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4U7Z
 | | Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 | | 分子名称: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Robarge, K.D, Ultsch, M.H, Wiesmann, C. | | 登録日 | 2014-07-31 | | 公開日 | 2014-09-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.805 Å) | | 主引用文献 | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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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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4U0F
 | | Hexameric HIV-1 CA in Complex with BI-2 | | 分子名称: | (4S)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 1,2-ETHANEDIOL, Capsid protein p24 | | 著者 | Price, A.J, Jacques, D.A, James, L.C. | | 登録日 | 2014-07-11 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
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4U0E
 | | Hexameric HIV-1 CA in complex with PF3450074 | | 分子名称: | CHLORIDE ION, Capsid protein p24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE | | 著者 | Price, A.J, Jacques, D.A, James, L.C. | | 登録日 | 2014-07-11 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.043 Å) | | 主引用文献 | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
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4U0D
 | | Hexameric HIV-1 CA in complex with Nup153 peptide, P212121 crystal form | | 分子名称: | CHLORIDE ION, Gag polyprotein, Nuclear pore complex protein Nup153 | | 著者 | Price, A.J, Jacques, D.A, James, L.C. | | 登録日 | 2014-07-11 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
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4U0C
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4U0B
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