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PDB: 477 件

1JP4
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Crystal Structure of an Enzyme Displaying both Inositol-Polyphosphate 1-Phosphatase and 3'-Phosphoadenosine-5'-Phosphate Phosphatase Activities
分子名称: 3'(2'),5'-bisphosphate nucleotidase, ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, ...
著者Patel, S, Yenush, L, Rodriguez, P.L, Serrano, R, Blundell, T.L.
登録日2001-08-01
公開日2001-08-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structure of an enzyme displaying both inositol-polyphosphate-1-phosphatase and 3'-phosphoadenosine-5'-phosphate phosphatase activities: a novel target of lithium therapy.
J.Mol.Biol., 315, 2002
5J5R
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BU of 5j5r by Molmil
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor VCC234718
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, cyclohexyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
著者Pacitto, A, Ascher, D.B, Blundell, T.L.
登録日2016-04-03
公開日2016-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug Target for Tuberculosis.
ACS Infect Dis, 3, 2017
3COZ
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Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.0 Ang resolution- in complex with sulphonamide inhibitor 4
分子名称: 5'-O-(D-valylsulfamoyl)adenosine, ETHANOL, GLYCEROL, ...
著者Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C.
登録日2008-03-29
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate.
Chembiochem, 9, 2008
2OFP
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BU of 2ofp by Molmil
Crystal structure of Escherichia coli ketopantoate reductase in a ternary complex with NADP+ and pantoate
分子名称: 1,4-DIETHYLENE DIOXIDE, ACETATE ION, Ketopantoate reductase, ...
著者Ciulli, A, Chirgadze, D.Y, Smith, A.G, Blundell, T.L, Abell, C.
登録日2007-01-04
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Escherichia coli Ketopantoate Reductase in a Ternary Complex with NADP+ and Pantoate Bound: SUBSTRATE RECOGNITION, CONFORMATIONAL CHANGE, AND COOPERATIVITY.
J.Biol.Chem., 282, 2007
3COY
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Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.05 Ang resolution- in complex with sulphonamide inhibitor 3
分子名称: 5'-O-[(3-methyl-D-valyl)sulfamoyl]adenosine, ETHANOL, GLYCEROL, ...
著者Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C.
登録日2008-03-29
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate.
Chembiochem, 9, 2008
3DAR
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BU of 3dar by Molmil
Crystal structure of D2 domain from human FGFR2
分子名称: Fibroblast growth factor receptor 2
著者Brown, A, Blundell, T.L.
登録日2008-05-30
公開日2008-06-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the FGFR2 D2 domain
To be Published
3H4T
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BU of 3h4t by Molmil
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
2QM4
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Crystal structure of human XLF/Cernunnos, a non-homologous end-joining factor
分子名称: Non-homologous end-joining factor 1
著者Li, Y, Chirgadze, D.Y, Sibanda, B.L, Bolanos-Garcia, V.M, Davies, O.R, Blundell, T.L.
登録日2007-07-14
公開日2007-12-11
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human XLF/Cernunnos reveals unexpected differences from XRCC4 with implications for NHEJ.
Embo J., 27, 2008
3LE8
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BU of 3le8 by Molmil
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.70 Angstrom resolution in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid
分子名称: 1,2-ETHANEDIOL, 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid, ETHANOL, ...
著者Silvestre, H.L, Hung, A.W, Sledz, P, Ciulli, A, Blundell, T.L, Abell, C.
登録日2010-01-14
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of the interligand overhauser effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase.
J.Am.Chem.Soc., 132, 2010
4KI7
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BU of 4ki7 by Molmil
Design and structural analysis of aromatic inhibitors of type II dehydroquinase from Mycobacterium tuberculosis - compound 41c [3-hydroxy-5-(3-nitrophenoxy)benzoic acid]
分子名称: 3-dehydroquinate dehydratase, 3-hydroxy-5-(3-nitrophenoxy)benzoic acid
著者Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C.
登録日2013-05-01
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis.
Chemmedchem, 10, 2015
7YY0
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BU of 7yy0 by Molmil
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
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
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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BU of 7yyb by Molmil
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
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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BU of 7yy9 by Molmil
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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BU of 7ywm by Molmil
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
7YY8
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BU of 7yy8 by Molmil
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
7YY7
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BU of 7yy7 by Molmil
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
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

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件を2024-07-10に公開中

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