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6C7B
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BU of 6c7b by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with Methoxynaphthyldiketoacid
分子名称: (2Z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2018-01-22
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.133 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6C8P
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BU of 6c8p by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-phenyldiketoacid
分子名称: (2Z)-4-(2-fluorophenyl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2018-01-25
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.635 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
5DX7
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BU of 5dx7 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 5-(5-chlorothiophen-2-yl)isoxazole-3-carboxylic acid
分子名称: 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-09-23
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5ECV
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BU of 5ecv by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(4-methyl-1H-indol-5-yl)-4-oxobut-2-enoic acid
分子名称: (~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Huang, H.-L, Sacchettini, J.C.
登録日2015-10-20
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.085 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
6DKO
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BU of 6dko by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-F-phenyldiketoacid
分子名称: 4-(2,6-difluorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2018-05-30
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.556 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6DNP
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BU of 6dnp by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-3-Methyl-6-F-phenyldiketoacid
分子名称: (2Z)-4-(2,6-difluoro-3-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC), Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2018-06-07
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.711 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6DL9
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BU of 6dl9 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-Cl-phenyldiketoacid
分子名称: 4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2018-05-31
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6DLJ
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BU of 6dlj by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Nitro-phenyldiketoacid
分子名称: (2Z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2018-06-01
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
5E9X
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BU of 5e9x by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid
分子名称: 2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-10-15
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5DRC
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BU of 5drc by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(1H-indol-3-yl)-4-oxobut-2-enoic acid
分子名称: (2Z)-2-hydroxy-4-(1H-indol-3-yl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchettini, J.C.
登録日2015-09-15
公開日2016-09-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
3ONE
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BU of 3one by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, Adenosylhomocysteinase, ...
著者Brzezinski, K, Jaskolski, M.
登録日2010-08-28
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
3ONF
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BU of 3onf by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with cordycepin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3'-DEOXYADENOSINE, Adenosylhomocysteinase, ...
著者Brzezinski, K, Jaskolski, M.
登録日2010-08-28
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
3OND
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BU of 3ond by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenosine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, Adenosylhomocysteinase, ...
著者Brzezinski, K, Jaskolski, M.
登録日2010-08-28
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
5T8G
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BU of 5t8g by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-oxo-4-((thiophene-2-carbonyl)oxy)butanoic acid
分子名称: (3E)-2-oxo-4-[(thiophen-2-ylcarbonyl)oxy]but-3-enoic acid, MAGNESIUM ION, Malate synthase G
著者Huang, H.-L, Sacchetiini, J.C.
登録日2016-09-07
公開日2016-10-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
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