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5W2O
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BU of 5w2o by Molmil
Crystal structure of Mycobacterium tuberculosis KasA
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, CHLORIDE ION, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5W2S
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BU of 5w2s by Molmil
Crystal Structure of Mycobacterium Tuberculosis KasA in complex with KMG
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5W2P
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BU of 5w2p by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5W2Q
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BU of 5w2q by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
8R7B
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BU of 8r7b by Molmil
SARS-CoV-2 NSP14 in complex with SAH and TDI-015051
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Guanine-N7 methyltransferase nsp14, ...
著者Meyer, C, Garzia, A, Miller, M, Huggins, D.J, Myers, R.W, Liverton, N, Kargman, S, Nitsche, J, Ganichkin, O, Steinbacher, S, Meinke, P.T, Tuschl, T.
登録日2023-11-24
公開日2024-10-23
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Small-molecule inhibition of SARS-CoV-2 guanine-N7 RNA cap methyltransferase
To Be Published
9F92
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BU of 9f92 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-nitrobenzoic acid
分子名称: (R,R)-2,3-BUTANEDIOL, 2-azanyl-3-nitro-benzoic acid, SULFATE ION, ...
著者Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
登録日2024-05-07
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
9F96
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BU of 9f96 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-ethoxybenzoic acid
分子名称: 1,2-ETHANEDIOL, 2-azanyl-3-ethoxy-benzoic acid, Trans-2,3-dihydro-3-hydroxyanthranilate isomerase
著者Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
登録日2024-05-07
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
9F93
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BU of 9f93 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-5-(4-fluorophenyl)benzoic acid
分子名称: (R,R)-2,3-BUTANEDIOL, 2-azanyl-5-(4-fluorophenyl)benzoic acid, Trans-2,3-dihydro-3-hydroxyanthranilate isomerase
著者Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
登録日2024-05-07
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
9F94
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BU of 9f94 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-5-(3-hydroxyphenyl)benzoic acid
分子名称: 2-azanyl-5-(3-hydroxyphenyl)benzoic acid, ACETATE ION, FORMIC ACID, ...
著者Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
登録日2024-05-07
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
9F95
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BU of 9f95 by Molmil
Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-hydroxy-5-(3-hydroxyphenyl)benzoic acid
分子名称: 2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid, Trans-2,3-dihydro-3-hydroxyanthranilate isomerase
著者Baumgarten, J, Schneider, P, Blankenfeldt, W, Kunick, C.
登録日2024-05-07
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Substrate-Based Ligand Design for Phenazine Biosynthesis Enzyme PhzF.
Chemmedchem, 2024
4OBU
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BU of 4obu by Molmil
Ruminococcus gnavus tryptophan decarboxylase RUMGNA_01526 (apo)
分子名称: PYRIDOXAL-5'-PHOSPHATE, Pyridoxal-dependent decarboxylase domain protein
著者Van Benschoten, A.H, Fraser, J.S.
登録日2014-01-07
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Discovery and Characterization of Gut Microbiota Decarboxylases that Can Produce the Neurotransmitter Tryptamine.
Cell Host Microbe, 16, 2014
4OBV
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BU of 4obv by Molmil
Ruminococcus gnavus tryptophan decarboxylase RUMGNA_01526 (alpha-FMT)
分子名称: Pyridoxal-dependent decarboxylase domain protein, alpha-(fluoromethyl)-D-tryptophan, {5-hydroxy-4-[(1E)-4-(1H-indol-3-yl)-3-oxobut-1-en-1-yl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate
著者Fraser, J.S, Van Benschoten, A.H.
登録日2014-01-07
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Discovery and Characterization of Gut Microbiota Decarboxylases that Can Produce the Neurotransmitter Tryptamine.
Cell Host Microbe, 16, 2014
3UVQ
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BU of 3uvq by Molmil
Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative
分子名称: Mitogen-activated protein kinase 14, N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide, octyl beta-D-glucopyranoside
著者Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D.
登録日2011-11-30
公開日2012-12-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity.
J.Med.Chem., 56, 2013
2L3C
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BU of 2l3c by Molmil
Solution structure of ADAR2 dsRBM1 bound to LSL RNA
分子名称: Double-stranded RNA-specific editase 1, RNA (34-MER)
著者Allain, F, Stefl, R, Oberstrass, F.
登録日2010-09-12
公開日2010-10-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The Solution Structure of the ADAR2 dsRBM-RNA Complex Reveals a Sequence-Specific Readout of the Minor Groove.
Cell(Cambridge,Mass.), 143, 2010
2L2J
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BU of 2l2j by Molmil
Solution NMR structure of the lower part of the R/G stem loop RNA
分子名称: RNA (42-MER)
著者Oberstrass, F.F, Allain, F.H.-T, Stefl, R.
登録日2010-08-20
公開日2010-10-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The Solution Structure of the ADAR2 dsRBM-RNA Complex Reveals a Sequence-Specific Readout of the Minor Groove.
Cell(Cambridge,Mass.), 143, 2010
2L2K
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BU of 2l2k by Molmil
Solution NMR structure of the R/G STEM LOOP RNA-ADAR2 DSRBM2 Complex
分子名称: Adenosine deaminase, RNA (42-MER)
著者Allain, F.H.-T, Oberstrass, F.C, Stefl, R.
登録日2010-08-20
公開日2010-10-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The Solution Structure of the ADAR2 dsRBM-RNA Complex Reveals a Sequence-Specific Readout of the Minor Groove.
Cell(Cambridge,Mass.), 143, 2010
2L3J
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BU of 2l3j by Molmil
The solution structure of the ADAR2 dsRBM-RNA complex reveals a sequence-specific read out of the minor groove
分子名称: Double-stranded RNA-specific editase 1, RNA (71-MER)
著者Stefl, R, Oberstrass, F.C, Allain, F.H.-T.
登録日2010-09-14
公開日2010-10-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The Solution Structure of the ADAR2 dsRBM-RNA Complex Reveals a Sequence-Specific Readout of the Minor Groove.
Cell(Cambridge,Mass.), 143, 2010
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