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4A6C
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BU of 4a6c by Molmil
Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors
分子名称: METHYL ((S)-1-(2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)-2-(4-(PYRIDIN-4-YL)BENZYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE, POL PROTEIN
著者Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Unge, J, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B.B, Unge, J, Larhed, M.
登録日2011-11-01
公開日2012-05-09
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors.
J.Med.Chem., 55, 2012
4A4Q
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BU of 4a4q by Molmil
Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors
分子名称: PROTEASE, methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
著者Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B, Unge, J, Larhed, M.
登録日2011-10-19
公開日2012-11-07
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors.
J.Med.Chem., 55, 2012
4A6B
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BU of 4a6b by Molmil
Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors
分子名称: METHYL ((S)-1-(2-([1,1'-BIPHENYL]-4-YLMETHYL)-2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE, POL PROTEIN
著者Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Unge, J, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B.B, Unge, J, Larhed, M.
登録日2011-11-01
公開日2012-05-09
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors.
J.Med.Chem., 55, 2012
1OZ1
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BU of 1oz1 by Molmil
P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR
分子名称: 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14
著者Lovejoy, B, Villasenor, A, Browner, M, Dunten, P.
登録日2003-04-07
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
2GFS
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BU of 2gfs by Molmil
P38 Kinase Crystal Structure in complex with RO3201195
分子名称: Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
著者Harris, S.F, Bertrand, J, Villasenor, A.
登録日2006-03-23
公開日2006-04-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase
J.Med.Chem., 49, 2006
4IZY
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BU of 4izy by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(4-Methanesulfonyl-piperidin-1-yl)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
分子名称: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1H-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
著者Kuglstatter, A, Shao, A.
登録日2013-01-30
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties.
Bioorg.Med.Chem.Lett., 23, 2013
3S9D
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BU of 3s9d by Molmil
binary complex between IFNa2 and IFNAR2
分子名称: CHLORIDE ION, Interferon alpha-2, Interferon alpha/beta receptor 2
著者Thomas, C, Garcia, K.C.
登録日2011-06-01
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9999 Å)
主引用文献Structural linkage between ligand discrimination and receptor activation by type I interferons.
Cell(Cambridge,Mass.), 146, 2011
3SE3
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BU of 3se3 by Molmil
human IFNa2-IFNAR ternary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon alpha 2b, Interferon alpha/beta receptor 1, ...
著者Thomas, C, Garcia, K.C.
登録日2011-06-10
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.0001 Å)
主引用文献Structural linkage between ligand discrimination and receptor activation by type I interferons.
Cell(Cambridge,Mass.), 146, 2011
3SE4
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BU of 3se4 by Molmil
human IFNw-IFNAR ternary complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon alpha/beta receptor 1, Interferon alpha/beta receptor 2, ...
著者Thomas, C, Garcia, K.C.
登録日2011-06-10
公開日2011-08-31
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.5001 Å)
主引用文献Structural linkage between ligand discrimination and receptor activation by type I interferons.
Cell(Cambridge,Mass.), 146, 2011
3S98
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BU of 3s98 by Molmil
human IFNAR1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interferon alpha/beta receptor 1
著者Thomas, C, Garcia, K.C.
登録日2011-06-01
公開日2011-08-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural linkage between ligand discrimination and receptor activation by type I interferons.
Cell(Cambridge,Mass.), 146, 2011
3S8W
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BU of 3s8w by Molmil
D2 domain of human IFNAR2
分子名称: CHLORIDE ION, Interferon alpha/beta receptor 2
著者Thomas, C, Garcia, K.C.
登録日2011-05-31
公開日2011-08-31
最終更新日2012-03-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural linkage between ligand discrimination and receptor activation by type I interferons.
Cell(Cambridge,Mass.), 146, 2011

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