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4UNQ
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BU of 4unq by Molmil
Mtb TMK in complex with compound 36
分子名称: 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNS
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BU of 4uns by Molmil
Mtb TMK in complex with compound 40
分子名称: N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
2BAK
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BU of 2bak by Molmil
p38alpha MAP kinase bound to MPAQ
分子名称: Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
著者Gerhardt, S, Breed, J, Pauptit, R.A, Read, J, Norman, R.A, Ward, W.H.
登録日2005-10-14
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAL
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BU of 2bal by Molmil
p38alpha MAP kinase bound to pyrazoloamine
分子名称: Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
著者Gerhardt, S, Pauptit, R.A, Read, J, Tucker, J, Norman, R.A, Breed, J.
登録日2005-10-14
公開日2005-12-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
2BAJ
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BU of 2baj by Molmil
p38alpha bound to pyrazolourea
分子名称: 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea, Mitogen-activated protein kinase 14
著者Gerhardt, S, Pauptit, R.A, Read, J, Breed, J, Norman, R.A, Ward, W.H.
登録日2005-10-14
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAQ
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BU of 2baq by Molmil
p38alpha bound to 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Gerhardt, S, Pauptit, R.A, Breed, J, Read, J, Tucker, J, Norman, R.A.
登録日2005-10-14
公開日2005-12-06
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
1QSX
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BU of 1qsx by Molmil
SOLUTION NMR STRUCTURE OF THE 2:1 HOECHST 33258-D(CTTTTGCAAAAG)2 COMPLEX
分子名称: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(CP*TP*TP*TP*TP*GP*CP*AP*AP*AP*AP*G)-3', SODIUM ION
著者Gavathiotis, E, Sharman, G.J, Searle, M.S.
登録日1999-06-24
公開日2000-02-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Sequence-dependent variation in DNA minor groove width dictates orientational preference of Hoechst 33258 in A-tract recognition: solution NMR structure of the 2:1 complex with d(CTTTTGCAAAAG)(2).
Nucleic Acids Res., 28, 2000
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