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BU of 4xx5 by Molmil

Structure of PI3K gamma in complex with an inhibitor
分子名称:	N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者	Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M.
登録日	2015-01-29
公開日	2015-08-05
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.76 Å)
主引用文献	Structure of PI3K gamma in complex with an inhibitor To Be Published

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BU of 4xz4 by Molmil

Structure of PI3K gamma in complex with an inhibitor
分子名称:	N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者	Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M.
登録日	2015-02-03
公開日	2016-02-03
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	Structure of PI3K gamma in complex with an inhibitor To Be Published

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BU of 4jvq by Molmil

Crystal structure of hcv ns5b polymerase in complex with compound 9
分子名称:	5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid, GLYCEROL, Genome polyprotein, ...
著者	Coulombe, R.
登録日	2013-03-26
公開日	2014-02-05
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	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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BU of 4jmu by Molmil

Crystal structure of HIV matrix residues 1-111 in complex with inhibitor
分子名称:	5-{4-[(4-methoxybenzoyl)amino]phenoxy}-2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}benzoic acid, Gag-Pol polyprotein, SULFATE ION
著者	Lemke, C.T.
登録日	2013-03-14
公開日	2013-10-30
最終更新日	2024-02-28
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	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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BU of 3byo by Molmil

X-Ray co-crystal structure of 2-amino-6-phenylpyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one 25 bound to Lck
分子名称:	6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
著者	Huang, X.
登録日	2008-01-16
公開日	2008-12-30
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J.Med.Chem., 51, 2008

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BU of 3bym by Molmil

X-ray co-crystal structure aminobenzimidazole triazine 1 bound to Lck
分子名称:	N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
著者	Huang, X.
登録日	2008-01-16
公開日	2008-09-16
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J.Med.Chem., 51, 2008

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BU of 3b2w by Molmil

Crystal structure of pyrimidine amide 11 bound to Lck
分子名称:	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
著者	Huang, X.
登録日	2007-10-19
公開日	2007-12-18
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	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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BU of 3bys by Molmil

co-crystal structure of Lck and aminopyrimidine amide 10b
分子名称:	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
著者	Huang, X.
登録日	2008-01-16
公開日	2008-09-16
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	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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BU of 3byu by Molmil

co-crystal structure of Lck and aminopyrimidine reverse amide 23
分子名称:	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
著者	Huang, X.
登録日	2008-01-16
公開日	2008-09-16
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	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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BU of 2of4 by Molmil

crystal structure of furanopyrimidine 1 bound to lck
分子名称:	5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE, Proto-oncogene tyrosine-protein kinase LCK
著者	Martin, M.W.
登録日	2007-01-02
公開日	2007-02-27
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2.7 Å)
主引用文献	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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BU of 2ofv by Molmil

crystal structure of aminoquinazoline 1 bound to Lck
分子名称:	3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK
著者	Huang, X.
登録日	2007-01-04
公開日	2007-02-27
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	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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BU of 2og8 by Molmil

crystal structure of aminoquinazoline 36 bound to Lck
分子名称:	N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK
著者	Huang, X.
登録日	2007-01-05
公開日	2007-02-27
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	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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BU of 2of2 by Molmil

crystal structure of furanopyrimidine 8 bound to lck
分子名称:	2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE, Proto-oncogene tyrosine-protein kinase LCK
著者	Martin, M.W.
登録日	2007-01-02
公開日	2007-02-27
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	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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BU of 2ofu by Molmil

x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck
分子名称:	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
著者	Huang, X.
登録日	2007-01-04
公開日	2007-02-27
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	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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