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6C32
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BU of 6c32 by Molmil
Mycobacterium smegmatis RimJ with AcCoA
Descriptor: ACETYL COENZYME *A, Acetyltransferase, GNAT family protein
Authors:Favrot, L, Hegde, S.S, Blanchard, J.S.
Deposit date:2018-01-09
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Structural Characterization of Mycobacterium smegmatis RimJ, an N-acetyltransferase protein
To Be Published
4MQL
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BU of 4mql by Molmil
Crystal structure of Antigen 85C-C209S mutant
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Authors:Favrot, L, Grzegorzewicz, A.E, Lajiness, D.H, Marvin, R.K, Boucau, J, Isailovic, D, Jackson, M, Ronning, D.R.
Deposit date:2013-09-16
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mechanism of inhibition of Mycobacterium tuberculosis antigen 85 by ebselen.
Nat Commun, 4, 2013
4MQM
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BU of 4mqm by Molmil
Crystal structure of Antigen 85C in presence of Ebselen
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Authors:Favrot, L, Grzegorzewicz, A.E, Lajiness, D.H, Marvin, R.K, Boucau, J, Isailovic, D, Jackson, M, Ronning, D.R.
Deposit date:2013-09-16
Release date:2013-11-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.346 Å)
Cite:Mechanism of inhibition of Mycobacterium tuberculosis antigen 85 by ebselen.
Nat Commun, 4, 2013
6C37
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BU of 6c37 by Molmil
Mycobacterium smegmatis RimJ in complex with CoA-disulfide
Descriptor: Acetyltransferase, GNAT family protein, [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
Authors:Favrot, L, Hegde, S.S, Blanchard, J.S.
Deposit date:2018-01-09
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Structural Characterization of Mycobacterium smegmatis RimJ, an N-acetyltransferase protein
To Be Published
6C30
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BU of 6c30 by Molmil
Mycobacterium smegmatis RimJ (apo form)
Descriptor: CHLORIDE ION, GLYCEROL, GNAT family acetyltransferase
Authors:Favrot, L, Hegde, S.S, Blanchard, J.S.
Deposit date:2018-01-09
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:Structural Characterization of Mycobacterium smegmatis RimJ, an N-acetyltransferase protein
To Be Published
4QDT
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BU of 4qdt by Molmil
Crystal structure of Antigen 85C co-crystallized with iodoacetamide
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Authors:Favrot, L, Lajiness, D.H, Ronning, D.R.
Deposit date:2014-05-14
Release date:2014-07-09
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QDZ
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BU of 4qdz by Molmil
Crystal structure of Antigen 85C-E228Q mutant
Descriptor: ACETATE ION, Diacylglycerol acyltransferase/mycolyltransferase Ag85C, HEXAETHYLENE GLYCOL
Authors:Favrot, L, Lajiness, D.H, Ronning, D.R.
Deposit date:2014-05-14
Release date:2014-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QDX
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BU of 4qdx by Molmil
Crystal structure of Antigen 85C-C209G mutant
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C, SULFATE ION
Authors:Favrot, L, Lajiness, D.H, Ronning, D.R.
Deposit date:2014-05-14
Release date:2014-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QEK
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BU of 4qek by Molmil
Crystal structure of Antigen 85C-S124A mutant
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C, SULFATE ION, alpha-D-glucopyranose
Authors:Favrot, L, Lajiness, D.H, Ronning, D.R.
Deposit date:2014-05-16
Release date:2014-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QDO
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BU of 4qdo by Molmil
Crystal structure of Ag85C co-crystallized with p-chloromercuribenzoic acid
Descriptor: ACETATE ION, Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Authors:Favrot, L, Lajiness, D.H, Ronning, D.R.
Deposit date:2014-05-14
Release date:2014-07-09
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QDU
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BU of 4qdu by Molmil
Crystal structure of Antigen 85C co-crystallized with ebselen
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Authors:Favrot, L, Lajiness, D.H, Ronning, D.R.
Deposit date:2014-05-14
Release date:2014-07-09
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QE3
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BU of 4qe3 by Molmil
Crystal structure of Antigen 85C-H260Q mutant
Descriptor: ACETIC ACID, CHAPSO, Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Authors:Favrot, L, Lajiness, D.H, Ronning, D.R.
Deposit date:2014-05-15
Release date:2014-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
5U3F
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BU of 5u3f by Molmil
Structure of Mycobacterium tuberculosis IlvE, a branched-chain amino acid transaminase, in complex with D-cycloserine derivative
Descriptor: (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Branched-chain-amino-acid aminotransferase
Authors:Favrot, L, Amorim Franco, T.M, Blanchard, J.S.
Deposit date:2016-12-02
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Mechanism-Based Inhibition of the Mycobacterium tuberculosis Branched-Chain Aminotransferase by d- and l-Cycloserine.
ACS Chem. Biol., 12, 2017
5KEI
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BU of 5kei by Molmil
Mycobacterium smegmatis MbtA apo structure
Descriptor: 2,3-dihydroxybenzoate-AMP ligase
Authors:Favrot, L, Vergnolle, O, Blanchard, J.S.
Deposit date:2016-06-09
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.325 Å)
Cite:Post-translational Acetylation of MbtA Modulates Mycobacterial Siderophore Biosynthesis.
J.Biol.Chem., 291, 2016
8GLB
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BU of 8glb by Molmil
Selenomethionine Derivatized Citrate Synthase (CitA) in Mycobacterium tuberculosis with Pyruvate
Descriptor: 1,2-ETHANEDIOL, PYRUVIC ACID, citrate synthase
Authors:Pathirage, R, Ronning, D, Favrot, L.
Deposit date:2023-03-21
Release date:2023-06-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACRYLIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Pathirage, R, Ronning, D, Favrot, L.
Deposit date:2023-03-24
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-27
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8S9D
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BU of 8s9d by Molmil
C143S variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-27
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
8F5V
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BU of 8f5v by Molmil
Crystal structure of Mycobacterium tuberculosis Mycothiol S-transferase enzyme in complex with mycothiol and Zn2+
Descriptor: Conserved protein, Mycothiol, ZINC ION
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-15
Release date:2023-04-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
8FX9
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BU of 8fx9 by Molmil
Crystal strucutre of Mycobacterium tuberculosis Mycothiol-S-transferase enzyme
Descriptor: CHLORIDE ION, Mycothiol-S-transferase
Authors:Lindenberger, J.J, Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2023-01-24
Release date:2023-04-05
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
8GIW
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BU of 8giw by Molmil
C143K variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-14
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.15 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, citrate synthase (unknown stereospecificity)
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-13
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite: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
Descriptor: CITRATE ANION, N-phenyl-2-selanylbenzamide, citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-25
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Pathirage, R, Ronning, D, Petit, C.
Deposit date:2023-03-22
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: citrate synthase
Authors:Pathirage, R, Ronning, D.
Deposit date:2023-03-25
Release date:2023-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023

 

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