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PDB: 106 件
2DFT
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Structure of shikimate kinase from Mycobacterium tuberculosis complexed with ADP and Mg at 2.8 angstrons of resolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
著者Dias, M.V, Faim, L.M, Vasconcelos, I.B, de Oliveira, J.S, Basso, L.A, Santos, D.S, de Azevedo, W.F.
登録日2006-03-03
公開日2007-01-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Effects of the magnesium and chloride ions and shikimate on the structure of shikimate kinase from Mycobacterium tuberculosis
ACTA CRYSTALLOGR.,SECT.F, 63, 2007
2DFN
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Structure of shikimate kinase from Mycobacterium tuberculosis complexed with ADP and shikimate at 1.9 angstrons of resolution
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Dias, M.V, Faim, L.M, Vasconcelos, I.B, de Oliveira, J.S, Basso, L.A, Santos, D.S, de Azevedo, W.F.
登録日2006-03-03
公開日2006-09-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Effects of the magnesium and chloride ions and shikimate on the structure of shikimate kinase from Mycobacterium tuberculosis
ACTA CRYSTALLOGR.,SECT.F, 63, 2007
5CXO
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Intriguing role of epoxide hydrolase/cyclase-like enzyme SalBIII in pyran ring formation in polyether salinomycin
分子名称: Epoxide hydrolase, HEXAETHYLENE GLYCOL
著者Dias, M.V.B, Luhavaya, H, Williams, S.R, Hong, H, Oliveira, L.G, Leadlay, P.F.
登録日2015-07-29
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Enzymology of Pyran Ring A Formation in Salinomycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 54, 2015
1ZTB
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BU of 1ztb by Molmil
Crystal Structure of Chorismate Synthase from Mycobacterium tuberculosis
分子名称: Chorismate synthase
著者Dias, M.V.B, Borges, J.C, Ely, F, Pereira, J.H, Canduri, F, Ramos, C.H.I, Frazzon, J, Palma, M.S, Basso, L.A, Santos, D.S, Azevedo Jr, W.F.
登録日2005-05-26
公開日2006-05-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of chorismate synthase from Mycobacterium tuberculosis
J.Struct.Biol., 154, 2006
4KIJ
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Design and structural analysis of aromatic inhibitors of type II dehydroquinase dehydratase from Mycobacterium tuberculosis - compound 35c [3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid]
分子名称: 3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid, 3-dehydroquinate dehydratase, CHLORIDE ION
著者Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C.
登録日2013-05-02
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
4KI7
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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
4KL9
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Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in the space group C2
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Dias, M.V.B, Tyrakis, P, Blundell, T.L.
登録日2013-05-07
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
4KLX
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Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in an open conformation.
分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Dihydrofolate reductase
著者Dias, M.V.B, Tyrakis, P, Blundell, T.L.
登録日2013-05-07
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
4KNE
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Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with cycloguanil
分子名称: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Dihydrofolate reductase
著者Dias, M.V.B, Tyrakis, P, Blundell, T.L.
登録日2013-05-09
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
4KIW
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Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49e [5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid]
分子名称: 3-dehydroquinate dehydratase, 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid
著者Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C.
登録日2013-05-02
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis.
Chemmedchem, 10, 2015
4KIU
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Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49d [5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid]
分子名称: 3-dehydroquinate dehydratase, 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid
著者Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C.
登録日2013-05-02
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis.
Chemmedchem, 10, 2015
4KM2
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Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in an open conformation in complex with trimethoprim
分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, Dihydrofolate reductase, TRIMETHOPRIM
著者Dias, M.V.B, Tyrakis, P, Blundell, T.L.
登録日2013-05-07
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
4KM0
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Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in complex with pyrimethamine
分子名称: 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase
著者Dias, M.V.B, Tyrakis, P, Blundell, T.L.
登録日2013-05-07
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
Structure, 22, 2014
1UUQ
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Exo-mannosidase from Cellvibrio mixtus
分子名称: GLYCEROL, MANNOSYL-OLIGOSACCHARIDE GLUCOSIDASE, SULFATE ION
著者Dias, M.V.F, Vincent, F, Pell, G, Prates, J.A.M, Centeno, M.S.J, Ferreira, L.M.A, Gilbert, H.J, Davies, G.J, Fontes, C.M.G.A.
登録日2004-01-09
公開日2004-04-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Insights Into the Molecular Determinants of Substrate Specificity in Glycoside Hydrolase Family 5 Revealed by the Crystal Structure and Kinetics of Cellvibrio Mixtus Mannosidase 5A
J.Biol.Chem., 279, 2004
2IDZ
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BU of 2idz by Molmil
Crystal structure of wild type Enoyl-ACP(CoA) reductase from Mycobacterium tuberculosis in complex with NADH-INH
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
著者Dias, M.V.B, Prado, M.P.X, Vasconcelos, I.B, Valmir, F, Basso, L.A, Santos, D.S, Azevedo Jr, W.F.
登録日2006-09-15
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic studies on the binding of isonicotinyl-NAD adduct to wild-type and isoniazid resistant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis.
J.Struct.Biol., 159, 2007
2IE0
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Crystal Structure of Isoniazid-resistant I21V Enoyl-ACP(COA) Reductase Mutant Enzyme From MYCOBACTERIUM TUBERCULOSIS in Complex with NADH-INH
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
著者Dias, M.V.B, Prado, A.M.X, Vasconceles, I.B, Fadel, F, Basso, L.A, Santos, D.S, Azevedo Jr, W.F.
登録日2006-09-15
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic studies on the binding of isonicotinyl-NAD adduct to wild-type and isoniazid resistant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis.
J.Struct.Biol., 159, 2007
2IEB
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Crystal Structure of Isoniazid-resistant S94A ENOYL-ACP(COA) Reductase Mutant Enzyme from MYCOBACTERIUM TUBERCULOSIS in Complex with NADH-INH
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
著者Dias, M.V.B, Prado, A.M.X, Vasconcelos, I.B, Fadel, V, Basso, L.A, Santos, D.S, Azevedo Jr, W.F.
登録日2006-09-18
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic studies on the binding of isonicotinyl-NAD adduct to wild-type and isoniazid resistant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis.
J.Struct.Biol., 159, 2007
2IED
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CRYSTAL STRUCTURE of ISONIAZID-RESISTANT S94A ENOYL-ACP(COA) REDUCTASE MUTANT ENZYME FROM MYCOBACTERIUM TUBERCULOSIS UNCOMPLEXED
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Dias, M.V.B, Prado, A.M.X, Vasconcelos, I.B, Fadel, V, Basso, L.A, Santos, D.S, Azevedo Jr, W.F.
登録日2006-09-18
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystallographic studies on the binding of isonicotinyl-NAD adduct to wild-type and isoniazid resistant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis.
J.Struct.Biol., 159, 2007
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
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
2G85
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Crystal structure of chorismate synthase from Mycobacterium tuberculosis at 2.22 angstrons of resolution
分子名称: Chorismate synthase
著者Dias, M.V.B, dos Santos, B.B, Ely, F, Basso, L.A, Santos, D.S, de Azevedo Jr, W.F.
登録日2006-03-01
公開日2007-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of chorismate synthase from Mycobacterium tuberculosis at 2.22 angstron of resolution
To be Published
3KVI
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Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42A mutant in complex with fluoro-acetate
分子名称: Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid
著者Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
登録日2009-11-30
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
3KVZ
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Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thiesterase FlK - wild type FlK in complex with FAcCPan
分子名称: (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide, Fluoroacetyl-CoA thioesterase FlK
著者Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
登録日2009-11-30
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
3KW1
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Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - Wild type FlK in complex with FAcOPan
分子名称: 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate, Fluoroacetyl-CoA thioesterase
著者Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
登録日2009-11-30
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
3KUV
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Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with acetate.
分子名称: ACETATE ION, Fluoroacetyl coenzyme A thioesterase
著者Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
登録日2009-11-27
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010

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