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7SF4
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BU of 7sf4 by Molmil
M. tb EgtD in complex with imatinib
分子名称: 1,2-ETHANEDIOL, 2-AMINO-4-PYRIDYL-PYRIMIDINE, GLYCEROL, ...
著者Sudasinghe, T.D, Ronning, D.R.
登録日2021-10-03
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
7SCF
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BU of 7scf by Molmil
M. tb EgtD in complex with HD2
分子名称: (2S)-3-(1H-imidazol-5-yl)-2-(1H-pyrrol-1-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Sudasinghe, T.D, Ronning, D.R.
登録日2021-09-28
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
7MGY
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BU of 7mgy by Molmil
Sco GlgEI-V279S in complex with 4-alpha-glucoside of valienamine
分子名称: (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER, ...
著者Jayasinghe, T.D, Ronning, D.R.
登録日2021-04-13
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Stereoselective synthesis of a 4-⍺-glucoside of valienamine and its X-ray structure in complex with Streptomyces coelicolor GlgE1-V279S.
Sci Rep, 11, 2021
7MEL
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BU of 7mel by Molmil
Sco GlgEI-V279S in complex with 4-alpha-glucoside of validamine
分子名称: (1R,2R,3S,4S,6R)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, ...
著者Jayasinghe, T.D, Ronning, D.R.
登録日2021-04-06
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Stereoselective synthesis of a 4-alpha-glucoside of valienamine and its X-ray structure in complex with Streptomyces coelicolor GlgE1-V279S.
Sci Rep, 11, 2021
7MYG
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BU of 7myg by Molmil
M. tb Ag85C modified by THL-10d
分子名称: Diacylglycerol acyltransferase, GLYCEROL
著者Sudasinghe, T.D, Ronning, D.R.
登録日2021-05-21
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Total Synthesis of Tetrahydrolipstatin, Its Derivatives, and Evaluation of Their Ability to Potentiate Multiple Antibiotic Classes against Mycobacterium Species.
Acs Infect Dis., 7, 2021
8S9D
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BU of 8s9d by Molmil
C143S variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, citrate synthase
著者Pathirage, R, Ronning, D.
登録日2023-03-27
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8S97
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BU of 8s97 by Molmil
C143W variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, citrate synthase
著者Pathirage, R, Ronning, D.
登録日2023-03-27
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GIW
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BU of 8giw by Molmil
C143K variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Pathirage, R, Ronning, D.
登録日2023-03-14
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GI7
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BU of 8gi7 by Molmil
C143A variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, citrate synthase (unknown stereospecificity)
著者Pathirage, R, Ronning, D.
登録日2023-03-13
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GLB
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BU of 8glb by Molmil
Selenomethionine Derivatized Citrate Synthase (CitA) in Mycobacterium tuberculosis with Pyruvate
分子名称: 1,2-ETHANEDIOL, PYRUVIC ACID, citrate synthase
著者Pathirage, R, Ronning, D, Favrot, L.
登録日2023-03-21
公開日2023-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GMI
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BU of 8gmi by Molmil
Citrate Synthase (CitA) in Mycobacterium tuberculosis modified by Ebselen at C143 residue
分子名称: CITRATE ANION, N-phenyl-2-selanylbenzamide, citrate synthase
著者Pathirage, R, Ronning, D.
登録日2023-03-25
公開日2023-06-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GMK
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BU of 8gmk by Molmil
Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ...
著者Pathirage, R, Ronning, D, Yamsek, M.
登録日2023-03-26
公開日2023-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GM9
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BU of 8gm9 by Molmil
Structure of Citrate Synthase(CitA) in Mycobacterium Tuberculosis
分子名称: 1,2-ETHANEDIOL, ACRYLIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Pathirage, R, Ronning, D, Favrot, L.
登録日2023-03-24
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GLL
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BU of 8gll by Molmil
R149E variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Pathirage, R, Ronning, D, Petit, C.
登録日2023-03-22
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8GMF
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BU of 8gmf by Molmil
R153M variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
分子名称: citrate synthase
著者Pathirage, R, Ronning, D.
登録日2023-03-25
公開日2023-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
1F0N
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BU of 1f0n by Molmil
MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ANTIGEN 85B
著者Anderson, D.H, Harth, G, Horwitz, M.A, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2000-05-16
公開日2001-01-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An interfacial mechanism and a class of inhibitors inferred from two crystal structures of the Mycobacterium tuberculosis 30 kDa major secretory protein (Antigen 85B), a mycolyl transferase.
J.Mol.Biol., 307, 2001
1F0P
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BU of 1f0p by Molmil
MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B WITH TREHALOSE
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ANTIGEN 85-B, ...
著者Anderson, D.H, Harth, G, Horwitz, M.A, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2000-05-16
公開日2001-01-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An interfacial mechanism and a class of inhibitors inferred from two crystal structures of the Mycobacterium tuberculosis 30 kDa major secretory protein (Antigen 85B), a mycolyl transferase.
J.Mol.Biol., 307, 2001
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件を2025-07-09に公開中

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