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2DUW
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BU of 2duw by Molmil
Solution structure of putative CoA-binding protein of Klebsiella pneumoniae
Descriptor: putative CoA-binding protein
Authors:Hung, K.W, Lin, Y.C, Cheng, C.C, Chang, C.F, Tsai, S.F, Huang, T.H.
Deposit date:2006-07-27
Release date:2007-08-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of putative CoA-binding protein of Klebsiella pneumoniae
To be Published
3LKH
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BU of 3lkh by Molmil
Inhibitors of Hepatitis C Virus Polymerase: Synthesis and Characterization of Novel 6-Fluoro-N-[2-Hydroxy-1(S)-Benzamides
Descriptor: 2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide, RNA-directed RNA polymerase
Authors:Lesburg, C.A.
Deposit date:2010-01-27
Release date:2010-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides.
Bioorg.Med.Chem.Lett., 20, 2010
3JZI
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BU of 3jzi by Molmil
Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazole series
Descriptor: 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide, Biotin carboxylase
Authors:Cheng, C, Shipps, G.W, Yang, Z, Sun, B, Kawahata, N, Soucy, K, Soriano, A, Orth, P, Xiao, L, Mann, P, Black, T.
Deposit date:2009-09-23
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3JZF
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BU of 3jzf by Molmil
Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazoles series
Descriptor: 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide, Biotin carboxylase, CARBONATE ION
Authors:Orth, P.
Deposit date:2009-09-23
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3U9N
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BU of 3u9n by Molmil
X-ray crystal structure of compound 1 bound to human CHK1 kinase domain
Descriptor: 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2011-10-19
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of a Novel Series of CHK1 Kinase Inhibitors with Distinctive Hinge Binding Mode
ACS MED.CHEM.LETT., 2012
4HYI
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BU of 4hyi by Molmil
X-RAY Crystal structure of compound 40 bound to human chk1 kinase domain
Descriptor: 2-(1H-indazol-1-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, GLYCEROL, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2012-11-13
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4HYH
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BU of 4hyh by Molmil
X-RAY Crystal structure of compound 39 bound to human chk1 kinase domain
Descriptor: 2-(6-methoxy-1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-[4-(piperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2012-11-13
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
2DIK
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BU of 2dik by Molmil
R337A MUTANT OF PYRUVATE PHOSPHATE DIKINASE
Descriptor: PROTEIN (PYRUVATE PHOSPHATE DIKINASE), SULFATE ION
Authors:Huang, K, Herzberg, O.
Deposit date:1998-09-03
Release date:1999-09-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Location of the phosphate binding site within Clostridium symbiosum pyruvate phosphate dikinase.
Biochemistry, 37, 1998

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