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PDB: 474 件
5LUQ
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Crystal Structure of Human DNA-dependent Protein Kinase Catalytic Subunit (DNA-PKcs)
分子名称: C-terminal fragment of KU80 (KU80ct194), DNA-dependent protein kinase catalytic subunit,DNA-dependent Protein Kinase Catalytic Subunit,DNA-dependent protein kinase catalytic subunit
著者Sibanda, B.L, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L.
登録日2016-09-09
公開日2017-02-15
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献DNA-PKcs structure suggests an allosteric mechanism modulating DNA double-strand break repair.
Science, 355, 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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BU of 5o0d by Molmil
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
2C81
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BU of 2c81 by Molmil
Crystal structures of the PLP- and PMP-bound forms of BtrR, a dual functional aminotransferase involved in butirosin biosynthesis.
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, GLUTAMINE-2-DEOXY-SCYLLO-INOSOSE AMINOTRANSFERASE
著者Popovic, B, Tang, X, Chirgadze, D.Y, Huang, F, Blundell, T.L, Spencer, J.B.
登録日2005-11-30
公開日2006-08-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of the PLP- and PMP-bound forms of BtrR, a dual functional aminotransferase involved in butirosin biosynthesis.
Proteins, 65, 2006
2C7T
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BU of 2c7t by Molmil
CRYSTAL STRUCTURE OF THE PLP-BOUND FORM OF BTRR, A DUAL FUNCTIONAL AMINOTRANSFERASE INVOLVED IN BUTIROSIN BIOSYNTHESIS.
分子名称: GLUTAMINE-2-DEOXY-SCYLLO-INOSOSE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Popovic, B, Tang, X, Chirgadze, D.Y, Huang, F, Blundell, T.L, Spencer, J.B.
登録日2005-11-29
公開日2006-08-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the PLP- and PMP-bound forms of BtrR, a dual functional aminotransferase involved in butirosin biosynthesis.
Proteins, 65, 2006
2BB2
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BU of 2bb2 by Molmil
X-RAY ANALYSIS OF BETA B2-CRYSTALLIN AND EVOLUTION OF OLIGOMERIC LENS PROTEINS
分子名称: BETA B2-CRYSTALLIN, BETA-MERCAPTOETHANOL
著者Bax, B, Lapatto, R, Nalini, V, Driessen, H, Lindley, P.F, Mahadevan, D, Blundell, T.L, Slingsby, C.
登録日1992-09-21
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray analysis of beta B2-crystallin and evolution of oligomeric lens proteins.
Nature, 347, 1990
2FN0
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Crystal structure of Yersinia enterocolitica salicylate synthase (Irp9)
分子名称: ACETATE ION, MAGNESIUM ION, PHOSPHATE ION, ...
著者Kerbarh, O, Chirgadze, D.Y, Blundell, T.L, Abell, C.
登録日2006-01-10
公開日2006-02-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structures of Yersinia enterocolitica Salicylate Synthase and its Complex with the Reaction Products Salicylate and Pyruvate.
J.Mol.Biol., 357, 2006
7YY0
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Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with 4'-phosphopantetheine
分子名称: 4'-PHOSPHOPANTETHEINE, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.745 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY5
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BU of 7yy5 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 9
分子名称: 2-naphthalen-2-ylethanoic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YYB
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Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 15
分子名称: 4-hydroxy-6-methyl-2H-1-benzopyran-2-one, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY6
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BU of 7yy6 by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 10
分子名称: 6-methylpyridine-2,3-dicarboxylic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.506 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY1
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Mycobacterium abscessus Phosphopantetheine adenylyltransferase ternary complex with 4'-phosphopantetheine & non-hydrolyzable ATP analogue (AMPCPP)
分子名称: 4'-PHOSPHOPANTETHEINE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY9
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Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 13
分子名称: 2-azanyl-4-chloranyl-benzenecarbonitrile, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.485 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY3
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Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 7
分子名称: 5-fluoroindole-2-carboxylic acid, MAGNESIUM ION, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.535 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YYC
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BU of 7yyc by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 16
分子名称: 2-indol-1-ylethanoic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YWM
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Crystal structure of Mycobacterium abcessus Phosphopantetheine adenylyltransferase in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-14
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY2
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Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Compound 20
分子名称: 5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY7
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Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 11
分子名称: 3-hydroxynaphthalene-2-carboxylic acid, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.538 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY8
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Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 12
分子名称: (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid, 3-(INDOL-3-YL) LACTATE, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.516 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YY4
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Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 8
分子名称: 6-fluoranylnaphthalene-2-carboxylic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.671 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YYA
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Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 14
分子名称: 3-indol-1-ylpropanoic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
7YXZ
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Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Coenzyme A
分子名称: COENZYME A, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Coyne, A.G, Blundell, T.L.
登録日2022-02-17
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.779 Å)
主引用文献Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
5EYR
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 5 at 1.57A resolution
分子名称: 3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one, EthR
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-25
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5EZG
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 22 at 1.84A resolution
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-26
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016

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