4JVQ
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![BU of 4jvq by Molmil](/molmil-images/mine/4jvq) | Crystal structure of hcv ns5b polymerase in complex with compound 9 | Descriptor: | 5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid, GLYCEROL, Genome polyprotein, ... | Authors: | Coulombe, R. | Deposit date: | 2013-03-26 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Enantiomeric Atropisomers Inhibit HCV Polymerase and/or HIV Matrix: Characterizing Hindered Bond Rotations and Target Selectivity. J.Med.Chem., 57, 2014
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2OFU
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![BU of 2ofu by Molmil](/molmil-images/mine/2ofu) | x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck | Descriptor: | 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel 2-Aminopyrimidine Carbamates as Potent and Orally Active Inhibitors of Lck: Synthesis, SAR, and in Vivo Antiinflammatory Activity J.Med.Chem., 49, 2006
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3BYU
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![BU of 3byu by Molmil](/molmil-images/mine/3byu) | co-crystal structure of Lck and aminopyrimidine reverse amide 23 | Descriptor: | 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation. J.Med.Chem., 51, 2008
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3BYS
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![BU of 3bys by Molmil](/molmil-images/mine/3bys) | co-crystal structure of Lck and aminopyrimidine amide 10b | Descriptor: | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-09-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation. J.Med.Chem., 51, 2008
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3B2W
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![BU of 3b2w by Molmil](/molmil-images/mine/3b2w) | Crystal structure of pyrimidine amide 11 bound to Lck | Descriptor: | N-[5-({[2-fluoro-3-(trifluoromethyl)phenyl]amino}carbonyl)-2-methylphenyl]-4-methoxy-2-[(4-piperazin-1-ylphenyl)amino]pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2007-10-19 | Release date: | 2007-12-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR. Bioorg.Med.Chem.Lett., 18, 2008
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5N22
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![BU of 5n22 by Molmil](/molmil-images/mine/5n22) | Structure of xEco2 acetyltransferase domain bound to K106-CoA conjugate | Descriptor: | (2~{S})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid, GLY-ALA-LYS-LYX-ASP-GLN-TYR-PHE-LEU, XEco2 | Authors: | Chao, W.C.H, Wade, B.O, Singleton, M.R. | Deposit date: | 2017-02-07 | Release date: | 2017-03-15 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Basis of Eco1-Mediated Cohesin Acetylation. Sci Rep, 7, 2017
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5N1W
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![BU of 5n1w by Molmil](/molmil-images/mine/5n1w) | Structure of xEco2 acetyltransferase domain bound to K105-CoA conjugate | Descriptor: | (2~{S})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid, ILE-GLY-ALA-LYX-LYS-ALA,ILE-GLY-ALA-LYX-LYS-ALA,ILE-GLY-ALA-LYX-LYS-ALA,ILE-GLY-ALA-LYX-LYS-ALA, MAGNESIUM ION, ... | Authors: | Chao, W.C.H, Wade, B.O, Singleton, M.R. | Deposit date: | 2017-02-06 | Release date: | 2017-03-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Eco1-Mediated Cohesin Acetylation. Sci Rep, 7, 2017
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5N1U
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![BU of 5n1u by Molmil](/molmil-images/mine/5n1u) | |
2OF4
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![BU of 2of4 by Molmil](/molmil-images/mine/2of4) | crystal structure of furanopyrimidine 1 bound to lck | Descriptor: | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Martin, M.W. | Deposit date: | 2007-01-02 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: Synthesis, SAR, and pharmacokinetic properties. Bioorg.Med.Chem.Lett., 17, 2007
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2OFV
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![BU of 2ofv by Molmil](/molmil-images/mine/2ofv) | crystal structure of aminoquinazoline 1 bound to Lck | Descriptor: | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity J.Med.Chem., 49, 2006
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2OG8
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![BU of 2og8 by Molmil](/molmil-images/mine/2og8) | crystal structure of aminoquinazoline 36 bound to Lck | Descriptor: | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2007-01-05 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity J.Med.Chem., 49, 2006
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2OF2
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![BU of 2of2 by Molmil](/molmil-images/mine/2of2) | crystal structure of furanopyrimidine 8 bound to lck | Descriptor: | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Martin, M.W. | Deposit date: | 2007-01-02 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of novel 2,3-diarylfuro[2,3-b]pyridin-4-amines as potent and selective inhibitors of Lck: Synthesis, SAR, and pharmacokinetic properties. Bioorg.Med.Chem.Lett., 17, 2007
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