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PDB: 481 results

4MQ6
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BU of 4mq6 by Molmil
Pantothenate synthase in complex with 2-(5-methoxy-2-(tosylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-15
Release date:2014-08-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUE
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BU of 4mue by Molmil
Crystal strcture of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)phenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUF
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BU of 4muf by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-(4-tert-butylphenylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: (2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1H-indol-1-yl)acetic acid, ETHANOL, Pantothenate synthetase
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
5EYR
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BU of 5eyr by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 5 at 1.57A resolution
Descriptor: 3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one, EthR
Authors:Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
Deposit date:2015-11-25
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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
3COZ
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BU of 3coz by Molmil
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.0 Ang resolution- in complex with sulphonamide inhibitor 4
Descriptor: 5'-O-(D-valylsulfamoyl)adenosine, ETHANOL, GLYCEROL, ...
Authors:Ciulli, A, Chirgadze, D.Y, Blundell, T.L, Abell, C.
Deposit date:2008-03-29
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate.
Chembiochem, 9, 2008
5CGM
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BU of 5cgm by Molmil
Structure of Mycobacterium thermoresistibile GlgE in complex with maltose at 1.95A resolution
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, CHLORIDE ION, ...
Authors:Mendes, V, Blaszczyk, M, Maranha, A, Empadinhas, N, Blundell, T.L.
Deposit date:2015-07-09
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of Mycobacterium thermoresistibile GlgE defines novel conformational states that contribute to the catalytic mechanism.
Sci Rep, 5, 2015
5CIM
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BU of 5cim by Molmil
Structure of Mycobacterium thermoresistibile GlgE in complex with maltose (cocrystallisation with maltose-1-phosphate) at 3.32A resolution
Descriptor: Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Mendes, V, Blaszczyk, M, Maranha, A, Empadinhas, N, Blundell, T.L.
Deposit date:2015-07-13
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Structure of Mycobacterium thermoresistibile GlgE defines novel conformational states that contribute to the catalytic mechanism.
Sci Rep, 5, 2015
4MUL
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BU of 4mul by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(naphthalen-2-ylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUJ
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BU of 4muj by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-(benzylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MUI
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BU of 4mui by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-methoxyphenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: (5-methoxy-2-{[(4-methoxyphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-22
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
3H4T
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Chimeric Glycosyltransferase for the generation of novel natural products - GtfAH1 in complex with UDP-2F-Glc
Descriptor: Glycosyltransferase GtfA, Glycosyltransferase, PHOSPHATE ION, ...
Authors:Dias, M.V.B, Truman, A.W, Wu, S, Blundell, T.L, Huang, F, Spencer, J.B.
Deposit date:2009-04-20
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Chimeric glycosyltransferases for the generation of hybrid glycopeptides
Chem.Biol., 16, 2009
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
Descriptor: 5-methoxy-N-(methylsulfonyl)-1H-indole-2-carboxamide, ETHANOL, GLYCEROL, ...
Authors:Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
Deposit date:2009-08-26
Release date:2009-10-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase
Angew.Chem.Int.Ed.Engl., 48, 2009
1XOD
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BU of 1xod by Molmil
Crystal structure of X. tropicalis Spred1 EVH-1 domain
Descriptor: GLYCEROL, Spred1
Authors:Harmer, N.J, Sivak, J.M, Amaya, E, Blundell, T.L.
Deposit date:2004-10-06
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:1.15A Crystal structure of the X. tropicalis Spred1 EVH1 domain suggests a fourth distinct peptide-binding mechanism within the EVH1 family
Febs Lett., 579, 2005
3IMG
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BU of 3img by Molmil
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
Descriptor: 1-benzofuran-2-carboxylic acid, 5-methoxy-1H-indole, ETHANOL, ...
Authors:Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C.
Deposit date:2009-08-10
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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BU of 3ivc by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-ylmethoxy)carbonyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: ETHANOL, GLYCEROL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
Deposit date:2009-08-31
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite: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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BU of 3imc by Molmil
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.6 Ang resolution in complex with fragment compound 5-methoxyindole, sulfate and glycerol
Descriptor: 5-methoxy-1H-indole, ETHANOL, GLYCEROL, ...
Authors:Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C.
Deposit date:2009-08-10
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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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BU of 3ivx by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-(benzofuran-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ...
Authors:Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
Deposit date:2009-09-02
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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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BU of 3ivg by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-((benzofuran-2-sulfonamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid
Descriptor: (2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ...
Authors:Silvestre, H.L, Hung, A.W, Wen, S, Ciulli, A, Blundell, T.L, Abell, C.
Deposit date:2009-09-01
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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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BU of 3ime by Molmil
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.40 Ang resolution in complex with fragment compound 1-Benzofuran-2-carboxylic acid
Descriptor: 1-benzofuran-2-carboxylic acid, ETHANOL, GLYCEROL, ...
Authors:Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C.
Deposit date:2009-08-10
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase.
Angew.Chem.Int.Ed.Engl., 48, 2009
1YJQ
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BU of 1yjq by Molmil
Crystal structure of ketopantoate reductase in complex with NADP+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-dehydropantoate 2-reductase, ACETATE ION, ...
Authors:Lobley, C.M.C, Ciulli, A, Whitney, H.M, Williams, G, Smith, A.G, Abell, C, Blundell, T.L.
Deposit date:2005-01-15
Release date:2005-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound.
Biochemistry, 44, 2005
1YON
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BU of 1yon by Molmil
Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate
Descriptor: 2-dehydropantoate 2-reductase, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Authors:Ciulli, A, Lobley, C.M.C, Tuck, K.L, Williams, G, Smith, A.G, Blundell, T.L, Abell, C.
Deposit date:2005-01-28
Release date:2006-04-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study.
Acta Crystallogr.,Sect.D, 63, 2007
1EPO
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BU of 1epo by Molmil
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH CP-81,282 (MOR PHE NLE CHF NME)
Descriptor: ENDOTHIAPEPSIN, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide
Authors:Veerapandian, B, Cooper, J.B, Blundell, T.L.
Deposit date:1994-07-27
Release date:1994-12-20
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Direct observation by X-ray analysis of the tetrahedral intermediate of aspartic proteinases.
Protein Sci., 1, 1992
3HWO
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BU of 3hwo by Molmil
Crystal structure of Escherichia coli enterobactin-specific isochorismate synthase EntC in complex with isochorismate
Descriptor: (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, Isochorismate synthase entC, MAGNESIUM ION
Authors:Sridharan, S, Blundell, T.L.
Deposit date:2009-06-18
Release date:2010-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
5LUQ
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BU of 5luq by Molmil
Crystal Structure of Human DNA-dependent Protein Kinase Catalytic Subunit (DNA-PKcs)
Descriptor: C-terminal fragment of KU80 (KU80ct194), DNA-dependent protein kinase catalytic subunit,DNA-dependent Protein Kinase Catalytic Subunit,DNA-dependent protein kinase catalytic subunit
Authors:Sibanda, B.L, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L.
Deposit date:2016-09-09
Release date:2017-02-15
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:DNA-PKcs structure suggests an allosteric mechanism modulating DNA double-strand break repair.
Science, 355, 2017
3H4I
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Chimeric Glycosyltransferase for the generation of novel natural products
Descriptor: Glycosyltransferase GtfA, Glycosyltransferase, SULFATE ION, ...
Authors:Dias, M.V.B, Truman, A.W, Wu, S, Blundell, T.L, Huang, F, Spencer, J.B.
Deposit date:2009-04-20
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Chimeric glycosyltransferases for the generation of hybrid glycopeptides
Chem.Biol., 16, 2009

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