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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
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
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
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
6GF6
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BU of 6gf6 by Molmil
Molecular basis of egg coat filament cross-linking: high-resolution structure of the partially deglycosylated ZP1 ZP-N1 domain homodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Zona pellucida sperm-binding protein 1,Zona pellucida sperm-binding protein 1
著者Nishimura, K, Jovine, L.
登録日2018-04-29
公開日2019-06-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
6GF7
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Molecular basis of egg coat filament cross-linking: Zn-SAD structure of the partially deglycosylated ZP1 ZP-N1 domain homodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ZINC ION, Zona pellucida sperm-binding protein 1,Zona pellucida sperm-binding protein 1
著者Nishimura, K, Jovine, L.
登録日2018-04-29
公開日2019-06-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
6GF8
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Molecular basis of egg coat filament cross-linking: structure of the glycosylated ZP1 ZP-N1 domain homodimer
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nishimura, K, Jovine, L.
登録日2018-04-29
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
5DQL
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BU of 5dql by Molmil
Crystal Structure of 2-vinyl glyoxylate modified isocitrate lyase from Mycobacterium tuberculosis
分子名称: 4-hydroxy-2-oxobutanoic acid, Isocitrate lyase 1, MAGNESIUM ION
著者Huang, H.-L, Meek, T.D.
登録日2015-09-14
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献Mechanism-based inactivator of isocitrate lyases 1 and 2 from Mycobacterium tuberculosis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7LX0
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BU of 7lx0 by Molmil
Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Gisriel, C.J, Wang, J.
登録日2021-03-02
公開日2021-07-28
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light
BBA Adv, 1, 2021
7N8O
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BU of 7n8o by Molmil
High-resolution structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803
分子名称: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Gisriel, C.J, Brudvig, G.W.
登録日2021-06-15
公開日2021-12-29
最終更新日2022-01-05
実験手法ELECTRON MICROSCOPY (1.93 Å)
主引用文献High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RCV
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BU of 7rcv by Molmil
High-resolution structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803
分子名称: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Gisriel, C.J, Brudvig, G.W.
登録日2021-07-08
公開日2021-12-29
最終更新日2022-01-05
実験手法ELECTRON MICROSCOPY (2.01 Å)
主引用文献High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803.
Proc.Natl.Acad.Sci.USA, 119, 2022
6BA7
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BU of 6ba7 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Cl-4-OH-phenyldiketoacid
分子名称: (2Z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-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2017-10-12
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.496 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
6AU9
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BU of 6au9 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with dioxine-phenyldiketoacid
分子名称: (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-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2017-08-31
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 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
6APZ
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BU of 6apz by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-hydroxy-phenyldiketoacid
分子名称: (2Z)-2-hydroxy-4-(3-hydroxyphenyl)-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2017-08-18
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.254 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
6ASU
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BU of 6asu by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-methyl-phenyldiketoacid
分子名称: (2Z)-2-hydroxy-4-(4-methylphenyl)-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2017-08-25
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.316 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
6BU1
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BU of 6bu1 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-3-OH-phenyldiketoacid
分子名称: (2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-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2017-12-08
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.584 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
6AS6
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BU of 6as6 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-Prop-6-Me-phenyldiketoacid
分子名称: (2Z)-4-(5-cyclopropyl-2-methylphenyl)-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2017-08-23
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 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
6AXB
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BU of 6axb by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-naphthyldiketoacid
分子名称: (2Z)-2-hydroxy-4-(naphthalen-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2017-09-06
公開日2018-09-05
最終更新日2023-10-04
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
6C6O
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BU of 6c6o by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-4-OH-phenyldiketoacid
分子名称: (2Z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-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2018-01-19
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 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
6C7B
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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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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
6C2X
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BU of 6c2x by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-6-Me-phenyldiketoacid
分子名称: (2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid, MAGNESIUM ION, Malate synthase G
著者Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2018-01-09
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 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
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