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3BX5
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P38 alpha map kinase complexed with BMS-640994
分子名称: Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
著者Sack, J.S.
登録日2008-01-11
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
3BV3
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Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2
分子名称: 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2008-01-04
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3BV2
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Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30
分子名称: 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2008-01-04
公開日2008-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3A2C
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Crystal structure of a pyrazolopyrimidine inhibitor complex bound to MAPKAP Kinase-2 (MK2)
分子名称: MAP kinase-activated protein kinase 2, N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine, SULFATE ION
著者Fujino, A, Takimoto-Kamimura, M.
登録日2009-05-12
公開日2010-05-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural analysis of an MK2-inhibitor complex: insight into the regulation of the secondary structure of the Gly-rich loop by TEI-I01800
Acta Crystallogr.,Sect.D, 66, 2010
2Z7L
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Unphosphorylated Mitogen Activated Protein Kinase ERK2 in Complex with (4-{[5-Carbamoyl-4-(3-Methylanilino)Pyrimidin 2-Yl]Amino}Phenyl)Acetic Acid
分子名称: BETA-MERCAPTOETHANOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Katayama, N, Kurihara, H.
登録日2007-08-27
公開日2008-08-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Identification of a key element for hydrogen-bonding patterns between protein kinases and their inhibitors
Proteins, 73, 2008
2YT1
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Solution structure of the chimera of the C-terminal tail peptide of APP and the C-terminal PID domain of Fe65L
分子名称: Amyloid beta A4 protein and Amyloid beta A4 precursor protein-binding family B member 2
著者Li, H, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-05
公開日2008-04-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
2YT0
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Solution structure of the chimera of the C-terminal tail peptide of APP and the C-terminal PID domain of Fe65L
分子名称: Amyloid beta A4 protein and Amyloid beta A4 precursor protein-binding family B member 2
著者Li, H, Koshiba, S, Tochio, N, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-05
公開日2008-04-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
2YSZ
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Solution structure of the chimera of the C-terminal PID domain of Fe65L and the C-terminal tail peptide of APP
分子名称: Amyloid beta A4 precursor protein-binding family B member 2 and Amyloid beta A4 protein
著者Li, H, Koshiba, S, Watanabe, S, Harada, T, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-05
公開日2008-04-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
2Y4I
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KSR2-MEK1 heterodimer
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, ...
著者Brennan, D.F, Barford, D.
登録日2011-01-06
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.46 Å)
主引用文献A Raf-Induced Allosteric Transition of Ksr Stimulates Ksr and Raf Phosphorylation of Mek
Nature, 472, 2011
2XDE
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Crystal structure of the complex of PF-3450074 with an engineered HIV capsid N terminal domain
分子名称: GAG POLYPROTEIN, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
著者Brown, D.G, Irving, S.L, Anderson, M, Bazin, R.
登録日2010-04-30
公開日2010-12-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献HIV Capsid is a Tractable Target for Small Molecule Therapeutic Intervention.
Plos Pathog., 6, 2010
2X2D
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acetyl-CypA:HIV-1 N-term capsid domain complex
分子名称: CAPSID PROTEIN P24, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
著者Lammers, M, Neumann, H, Chin, J.W, James, L.C.
登録日2010-01-12
公開日2010-03-23
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Acetylation Regulates Cyclophilin a Catalysis, Immunosuppression and HIV Isomerisation
Nat.Chem.Biol., 6, 2010
2WLV
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Structure of the N-terminal capsid domain of HIV-2
分子名称: GAG POLYPROTEIN
著者Price, A.J, Marzetta, F, Lammers, M, Ylinen, L.M.J, Schaller, T, Wilson, S.J, Towers, G.J, James, L.C.
登録日2009-06-26
公開日2009-09-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Active Site Remodelling Switches HIV Specificity of Antiretroviral Trimcyp
Nat.Struct.Mol.Biol., 16, 2009
2WH0
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Recognition of an intrachain tandem 14-3-3 binding site within protein kinase C epsilon
分子名称: 14-3-3 PROTEIN ZETA/DELTA, CALCIUM ION, PROTEIN KINASE C EPSILON TYPE, ...
著者Kostelecky, B, Saurin, A.T, Purkiss, A, Parker, P.J, McDonald, N.Q.
登録日2009-04-28
公開日2009-08-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Recognition of an Intra-Chain Tandem 14-3-3 Binding Site within Pkc Epsilon.
Embo Rep., 10, 2009
2ROZ
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BU of 2roz by Molmil
Structure of the C-terminal PID Domain of Fe65L1 Complexed with the Cytoplasmic Tail of APP Reveals a Novel Peptide Binding Mode
分子名称: Amyloid beta A4 precursor protein-binding family B member 2, peptide from Amyloid beta A4 protein
著者Li, H, Koshiba, S, Tochio, N, Watanabe, S, Harada, T, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2008-04-25
公開日2008-07-22
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
2RG6
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Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11J
分子名称: 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2007-10-02
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
2RG5
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Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B
分子名称: Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
著者Sack, J.S.
登録日2007-10-02
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
2R9S
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c-Jun N-terminal Kinase 3 with 3,5-Disubstituted Quinoline inhibitor
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 10, N-(tert-butyl)-4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide, ...
著者Habel, J.
登録日2007-09-13
公開日2007-10-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3,5-Disubstituted quinolines as novel c-Jun N-terminal kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2QD9
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P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds
分子名称: 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2007-06-20
公開日2007-08-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis and SAR of p38alpha MAP kinase inhibitors based on heterobicyclic scaffolds.
Bioorg.Med.Chem.Lett., 17, 2007
2PZY
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Structure of MK2 Complexed with Compound 76
分子名称: (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE, MAP kinase-activated protein kinase 2, STAUROSPORINE
著者White, A, Wu, J.P, Wang, J, Abeywardane, A, Andersen, D, Emmanuel, M, Gautschi, E, Goldberg, D.R, Kashem, M.A, Lukas, S, Mao, W, Martin, L, Morwick, T, Moss, N, Pargellis, C, Patel, U.R, Patnaude, L, Peet, G.W, Skow, D, Snow, R.J, Ward, Y, Werneburg, B.
登録日2007-05-18
公開日2007-07-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The discovery of carboline analogs as potent MAPKAP-K2 inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
2PXR
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Crystal Structure of HIV-1 CA146 in the Presence of CAP-1
分子名称: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), ZINC ION
著者Kelly, B.N.
登録日2007-05-14
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein.
J.Mol.Biol., 373, 2007
2PWO
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Crystal Structure of HIV-1 CA146 A92E Psuedo Cell
分子名称: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol)
著者Kelly, B.N.
登録日2007-05-11
公開日2007-09-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein.
J.Mol.Biol., 373, 2007
2PWM
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Crystal Structure of HIV-1 CA146 A92E real cell
分子名称: CHLORIDE ION, Gag-Pol polyprotein
著者Kelly, B.N.
登録日2007-05-11
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein.
J.Mol.Biol., 373, 2007
2PUU
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Crystal structure of p38 complex with 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)naphthalen-1-yl]urea
分子名称: 5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}-1H-PYRAZOL-2-IUM, Mitogen-activated protein kinase 14
著者Qian, K.C.
登録日2007-05-09
公開日2008-05-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A new class of p38 MAP kinase inhibitors based on the pyrazole-naphthyl urea scaffold
To be Published
2P55
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X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
分子名称: 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Ohren, J.F, Pavlovsky, A.G.
登録日2007-03-14
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献4-anilino-5-carboxamido-2-pyridone derivatives as noncompetitive inhibitors of mitogen-activated protein kinase kinase.
J.Med.Chem., 50, 2007
2P3G
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Crystal structure of a pyrrolopyridine inhibitor bound to MAPKAP Kinase-2
分子名称: 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 2
著者Kurumbail, R.G, Caspers, N.
登録日2007-03-08
公開日2007-06-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Pyrrolopyridine Inhibitors of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK-2).
J.Med.Chem., 50, 2007

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