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PDB: 478 件
5O0B
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Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-Bromo-1H-indazole-5-carboxylic acid (Fragment 2)
分子名称: 3-bromanyl-1~{H}-indazole-5-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.735 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
5NZ1
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with sutezolid
分子名称: HTH-type transcriptional regulator EthR, ~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
著者Mendes, V, Blaszczyk, M, Nikiforov, P.O, Blundell, T.L.
登録日2017-05-12
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR
To Be Published
5O08
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Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with Dephospho-coenzyme A
分子名称: 1,2-ETHANEDIOL, DEPHOSPHO COENZYME A, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
5O0D
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Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-Phenoxymandelic acid (Fragment 4)
分子名称: (2~{S})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.539 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
5NZ0
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with linezolid
分子名称: 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
著者Blaszczyk, M, Mendes, V, Nikiforov, P.O, Blundell, T.L.
登録日2017-05-12
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.825 Å)
主引用文献The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR
To Be Published
5O0A
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Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 5-methyl-1-phenyl-pyrazole-4-carboxylic acid (Fragment 1)
分子名称: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.805 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
5O0F
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Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-(indol-3-yl)propanoic acid (Fragment 5)
分子名称: INDOLYLPROPIONIC ACID, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
5O0C
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Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-(3-methyl-1H-indol-1-yl)propanoic acid (Fragment 3)
分子名称: 3-(3-methylindol-1-yl)propanoic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.642 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
7ZVT
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CryoEM structure of Ku heterodimer bound to DNA
分子名称: DNA (5'-D(P*CP*GP*AP*TP*AP*TP*CP*TP*AP*GP*AP*GP*GP*GP*AP*T)-3'), DNA (5'-D(P*TP*CP*CP*CP*TP*CP*TP*AP*GP*AP*TP*AP*TP*C)-3'), INOSITOL HEXAKISPHOSPHATE, ...
著者Hardwick, S.W, Kefala-Stavridi, A, Chirgadze, D.Y, Blundell, T.L, Chaplin, A.K.
登録日2022-05-17
公開日2023-05-24
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction.
Nucleic Acids Res., 51, 2023
7ZWA
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CryoEM structure of Ku heterodimer bound to DNA and PAXX
分子名称: DNA (5'-D(P*CP*GP*AP*TP*AP*TP*CP*TP*AP*GP*AP*GP*GP*GP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*CP*CP*CP*TP*CP*TP*AP*GP*AP*TP*AP*T)-3'), PHOSPHATE ION, ...
著者Hardwick, S.W, Kefala-Stavridi, A, Chirgadze, D.Y, Blundell, T.L, Chaplin, A.K.
登録日2022-05-19
公開日2023-05-31
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
7ZYG
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CryoEM structure of Ku heterodimer bound to DNA, PAXX and XLF
分子名称: DNA, Non-homologous end-joining factor 1, PHOSPHATE ION, ...
著者Hardwick, S.W, Kefala-Stavridi, A, Chirgadze, D.Y, Blundell, T.L, Chaplin, A.K.
登録日2022-05-24
公開日2023-06-07
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
3H4T
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Chimeric Glycosyltransferase for the generation of novel natural products - GtfAH1 in complex with UDP-2F-Glc
分子名称: Glycosyltransferase GtfA, Glycosyltransferase, PHOSPHATE ION, ...
著者Dias, M.V.B, Truman, A.W, Wu, S, Blundell, T.L, Huang, F, Spencer, J.B.
登録日2009-04-20
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Chimeric glycosyltransferases for the generation of hybrid glycopeptides
Chem.Biol., 16, 2009
3H4I
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Chimeric Glycosyltransferase for the generation of novel natural products
分子名称: Glycosyltransferase GtfA, Glycosyltransferase, SULFATE ION, ...
著者Dias, M.V.B, Truman, A.W, Wu, S, Blundell, T.L, Huang, F, Spencer, J.B.
登録日2009-04-20
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Chimeric glycosyltransferases for the generation of hybrid glycopeptides
Chem.Biol., 16, 2009
3HWO
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Crystal structure of Escherichia coli enterobactin-specific isochorismate synthase EntC in complex with isochorismate
分子名称: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase entC, MAGNESIUM ION
著者Sridharan, S, Blundell, T.L.
登録日2009-06-18
公開日2010-02-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Escherichia coli Enterobactin-specific Isochorismate Synthase (EntC) Bound to its Reaction Product Isochorismate: Implications for the Enzyme Mechanism and Differential Activity of Chorismate-utilizing Enzymes
J.Mol.Biol., 397, 2010
3ISJ
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BU of 3isj by Molmil
Crystal structure of pantothenate synthetase from Mycobacterium tuberculosis in complex with 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide
分子名称: 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide, ETHANOL, GLYCEROL, ...
著者Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
登録日2009-08-26
公開日2009-10-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase
Angew.Chem.Int.Ed.Engl., 48, 2009
3IMG
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Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.8 Ang resolution in a ternary complex with fragment compounds 5-methoxyindole and 1-benzofuran-2-carboxylic acid
分子名称: 1-benzofuran-2-carboxylic acid, 5-methoxy-1H-indole, ETHANOL, ...
著者Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C.
登録日2009-08-10
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IUB
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Crystal structure of pantothenate synthetase from Mycobacterium tuberculosis in complex with 5-Methoxy-N-(5-methylpyridin-2-ylsulfonyl)-1H-indole-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 5-methoxy-N-[(5-methylpyridin-2-yl)sulfonyl]-1H-indole-2-carboxamide, ETHANOL, ...
著者Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
登録日2009-08-31
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IUE
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Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(5-Methylpyridin-2-ylsulfonylcarbamoyl)-1H-indol-1-yl) acetic acid
分子名称: (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
著者Silvestre, H.L, Wen, S, Hung, A.W, Ciulli, A, Blundell, T.L, Abell, C.
登録日2009-08-31
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IMC
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Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.6 Ang resolution in complex with fragment compound 5-methoxyindole, sulfate and glycerol
分子名称: 5-methoxy-1H-indole, ETHANOL, GLYCEROL, ...
著者Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C.
登録日2009-08-10
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IVC
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Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-ylmethoxy)carbonyl)-5-methoxy-1H-indol-1-yl)acetic acid
分子名称: ETHANOL, GLYCEROL, Pantothenate synthetase, ...
著者Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
登録日2009-08-31
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IVX
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Crystal structure of pantothenate synthetase in complex with 2-(2-(benzofuran-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
分子名称: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ...
著者Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
登録日2009-09-02
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IVG
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Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-sulfonamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid
分子名称: (2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
著者Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
登録日2009-09-01
公開日2009-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
3IME
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Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.40 Ang resolution in complex with fragment compound 1-Benzofuran-2-carboxylic acid
分子名称: 1-benzofuran-2-carboxylic acid, ETHANOL, GLYCEROL, ...
著者Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C.
登録日2009-08-10
公開日2009-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
5FPK
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MONOMERIC RADA IN COMPLEX WITH FATA TETRAPEPTIDE
分子名称: DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHTG PEPTIDE, PHOSPHATE ION
著者Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
登録日2015-12-01
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.343 Å)
主引用文献Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016
5FOV
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HUMANISED MONOMERIC RADA IN COMPLEX WITH FHTG TETRAPEPTIDE
分子名称: DNA repair and recombination protein RadA, FHTG PEPTIDE, GLYCEROL, ...
著者Scott, D.E, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M.
登録日2015-11-26
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.739 Å)
主引用文献Structure Activity Relationship of the Peptide Binding Motif Mediating the Rad51:Brca2 Protein-Protein Interaction.
FEBS Lett., 590, 2016

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