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3ST6
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BU of 3st6 by Molmil
Structure of a M. tuberculosis Synthase, MbtI, in Complex with an Isochorismate Analogue Inhibitor
分子名称: 3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI
著者Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2011-07-08
公開日2012-05-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
4DF6
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BU of 4df6 by Molmil
Crystal Structure of the inhibitor NXL104 Covalent Adduct with TB B-lactamase
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, PHOSPHATE ION
著者Hazra, S, Blanchard, J.
登録日2012-01-23
公開日2012-07-18
最終更新日2015-06-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献NXL104 irreversibly inhibits the {beta}-lactamase from Mycobacterium tuberculosis.
Biochemistry, 51, 2012
6XBR
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BU of 6xbr by Molmil
Streptomyces coelicolor methylmalonyl-CoA epimerase (E43L) in complex with 2-nitronate-propionyl-CoA
分子名称: AMMONIUM ION, CHLORIDE ION, COBALT (II) ION, ...
著者Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R.
登録日2020-06-07
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Streptomyces coelicolor methylmalonyl-CoA epimerase (E43L) in complex with 2-nitronate-propionyl-CoA
To Be Published
6XBV
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BU of 6xbv by Molmil
Streptomyces coelicolor methylmalonyl-CoA epimerase (S115T) in complex with 2-nitronate-propionyl-CoA
分子名称: CHLORIDE ION, COBALT (II) ION, Methylmalonyl-CoA epimerase, ...
著者Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R.
登録日2020-06-07
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Streptomyces coelicolor methylmalonyl-CoA epimerase (S115T) in complex with 2-nitronate-propionyl-CoA
To Be Published
4DEF
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BU of 4def by Molmil
Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis
分子名称: ACETATE ION, Fructose-bisphosphate aldolase, SODIUM ION, ...
著者Capodagli, G.C, Pegan, S.D.
登録日2012-01-20
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
2YPO
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BU of 2ypo by Molmil
3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with phenylalanine bound in only one site
分子名称: GLYCEROL, MANGANESE (II) ION, PHENYLALANINE, ...
著者Blackmore, N.J, Reichau, S, Jiao, W, Hutton, R.D, Baker, E.N, Jameson, G.B, Parker, E.J.
登録日2012-10-31
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three Sites and You are Out: Ternary Synergistic Allostery Controls Aromatic Aminoacid Biosynthesis in Mycobacterium Tuberculosis.
J.Mol.Biol., 425, 2013
5OO8
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BU of 5oo8 by Molmil
Streptomyces PAC13 (H42Q) with uridine
分子名称: 1,2-ETHANEDIOL, Putative cupin_2 domain-containing isomerase, URIDINE
著者Chung, C, Michailidou, F.
登録日2017-08-06
公開日2017-08-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
6XBQ
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BU of 6xbq by Molmil
Streptomyces coelicolor methylmalonyl-CoA epimerase in complex with carboxy-carba(dethia)-CoA
分子名称: CARBOXYMETHYLDETHIA COENZYME *A, COBALT (II) ION, Methylmalonyl-CoA epimerase, ...
著者Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R.
登録日2020-06-07
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Streptomyces coelicolor methylmalonyl-CoA epimerase in complex with carboxy-carba(dethia)-CoA
To Be Published
6XBT
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BU of 6xbt by Molmil
Streptomyces coelicolor methylmalonyl-CoA epimerase (Q60A) in complex with 2-nitronate-propionyl-CoA
分子名称: COBALT (II) ION, COENZYME A, Methylmalonyl-CoA epimerase, ...
著者Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R.
登録日2020-06-07
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Streptomyces coelicolor methylmalonyl-CoA epimerase (Q60A) in complex with 2-nitronate-propionyl-CoA
To Be Published
5OO5
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BU of 5oo5 by Molmil
Streptomyces PAC13 with uridine uronic acid
分子名称: Putative cupin_2 domain-containing isomerase, uridine uronic acid
著者Chung, C, Michailidou, F.
登録日2017-08-05
公開日2017-08-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OOA
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BU of 5ooa by Molmil
Streptomyces PAC13 (Y89F) with uridine
分子名称: Putative cupin_2 domain-containing isomerase, URIDINE
著者Chung, C, Michailidou, F.
登録日2017-08-06
公開日2017-08-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
3TZZ
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BU of 3tzz by Molmil
Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in the carboxypalmitoylated form at 2.5 A
分子名称: 12-mer peptide, 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, ...
著者Bergeret, F, Pedelacq, J.D, Mourey, L, Bon, C.
登録日2011-09-28
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase pks13
J.Biol.Chem., 287, 2012
4AC8
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BU of 4ac8 by Molmil
R2-like ligand binding Mn-Fe oxidase from M. tuberculosis with an organized C-terminal helix
分子名称: CALCIUM ION, FE (III) ION, GLYCEROL, ...
著者Andersson, C.S, Berthold, C.L, Hogbom, M.
登録日2011-12-14
公開日2012-09-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A Dynamic C-Terminal Segment in the Mycobacterium Tuberculosis Mn/Fe R2Lox Protein Can Adopt a Helical Structure with Possible Functional Consequences.
Chem.Biodivers., 9, 2012
5OO4
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BU of 5oo4 by Molmil
Streptomyces PAC13 with uridine
分子名称: Putative cupin_2 domain-containing isomerase, URIDINE
著者Chung, C, Michailidou, F.
登録日2017-08-05
公開日2017-08-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
2W3W
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BU of 2w3w by Molmil
MYCOBACTERIUM AVIUM DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND A LIPOPHILIC ANTIFOLATE SELECTIVE FOR M. AVIUM DHFR, 6-((2,5- DIETHOXYPHENYL)AMINOMETHYL)-2,4-DIAMINO-5-METHYLPYRIDO(2,3-D) PYRIMIDINE (SRI-8686)
分子名称: 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Leung, A.K.W, Reynolds, R.C, Borhani, D.W.
登録日2008-11-16
公開日2009-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
6XBS
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BU of 6xbs by Molmil
Streptomyces coelicolor methylmalonyl-CoA epimerase (E43Q) in complex with 2-nitronate-propionyl-CoA
分子名称: CHLORIDE ION, COBALT (II) ION, Methylmalonyl-CoA epimerase, ...
著者Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R.
登録日2020-06-07
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Streptomyces coelicolor methylmalonyl-CoA epimerase (E43Q) in complex with 2-nitronate-propionyl-CoA
To Be Published
3ZHH
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BU of 3zhh by Molmil
X-ray structure of the full-length beta-lactamase from M.tuberculosis
分子名称: BETA-LACTAMASE, SULFATE ION
著者Feiler, C, Fisher, A.C, Marrichi, M.J, Wright, L, Schmidpeter, P.A.M, Blankenfeldt, W, Pavelka, M, DeLisa, M.P.
登録日2012-12-21
公開日2013-09-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Directed Evolution of Mycobacterium Tuberculosis Beta-Lactamase Reveals Gatekeeper Residue that Regulates Antibiotic Resistance and Catalytic Efficiency.
Plos One, 8, 2013
5OVK
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BU of 5ovk by Molmil
Crystal structure MabA bound to NADPH from M. smegmatis
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M.
登録日2017-08-29
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA.
Acta Crystallogr D Struct Biol, 74, 2018
4DEL
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BU of 4del by Molmil
Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis
分子名称: ACETATE ION, Fructose-bisphosphate aldolase, HEXAETHYLENE GLYCOL, ...
著者Pegan, S.D, Mesecar, A.D.
登録日2012-01-20
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
3TZX
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BU of 3tzx by Molmil
Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in tetragonal apo form at 2.3 A
分子名称: 12-mer peptide, GLYCEROL, Polyketide synthase PKS13, ...
著者Bergeret, F, Pedelacq, J.D, Mourey, L, Bon, C.
登録日2011-09-28
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase pks13
J.Biol.Chem., 287, 2012
3TZW
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BU of 3tzw by Molmil
Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in the orthorhombic apoform at 2.6 A
分子名称: 1,2-ETHANEDIOL, 12-mer peptide, Polyketide synthase PKS13, ...
著者Bergeret, F, Pedelacq, J.D, Mourey, L, Bon, C.
登録日2011-09-28
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase pks13
J.Biol.Chem., 287, 2012
3TZY
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BU of 3tzy by Molmil
Crystal structure of a fragment containing the acyltransferase domain of Pks13 from Mycobacterium tuberculosis in the palmitoylated form at 2.2 A
分子名称: 12-mer peptide, GLYCEROL, PALMITIC ACID, ...
著者Bergeret, F, Pedelacq, J.D, Mourey, L, Bon, C.
登録日2011-09-28
公開日2012-08-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biochemical and structural study of the atypical acyltransferase domain from the mycobacterial polyketide synthase pks13
J.Biol.Chem., 287, 2012
5OVL
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BU of 5ovl by Molmil
crystal structure of MabA bound to NADP+ from M. smegmatis
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M.
登録日2017-08-29
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA.
Acta Crystallogr D Struct Biol, 74, 2018
2W3V
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BU of 2w3v by Molmil
MYCOBACTERIUM AVIUM DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND TRIMETHOPRIM
分子名称: DIHYDROFOLATE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
著者Leung, A.K.W, Reynolds, R.C, Borhani, D.W.
登録日2008-11-16
公開日2009-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
5SD1
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Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1235 (enantiomer)
分子名称: (2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, 1,2-ETHANEDIOL, Dihydrofolate reductase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-12-20
公開日2022-02-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1235 (enantiomer)
to be published

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件を2024-09-25に公開中

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