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4UBV
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BU of 4ubv by Molmil
Structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis with an partially acetylated cysteine in complex with acetyl-CoA and CoA
Descriptor: 1,4-DIETHYLENE DIOXIDE, ACETYL COENZYME *A, Acetyl-CoA acetyltransferase FadA5, ...
Authors:Schaefer, C.M, Kisker, C.
Deposit date:2014-08-13
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis.
Structure, 23, 2015
4UBT
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BU of 4ubt by Molmil
Structure of the C93S variant of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis in complex with a steroid and CoA.
Descriptor: (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name), Acetyl-CoA acetyltransferase FadA5, CHLORIDE ION, ...
Authors:Schaefer, C.M, Kisker, C.
Deposit date:2014-08-13
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis.
Structure, 23, 2015
4UBU
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BU of 4ubu by Molmil
Structure of a modified C93S variant of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis in complex with CoA
Descriptor: Acetyl-CoA acetyltransferase FadA5, COENZYME A, GLYCEROL
Authors:Schaefer, C.M, Kisker, C.
Deposit date:2014-08-13
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis.
Structure, 23, 2015
4UBW
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BU of 4ubw by Molmil
Apo structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis
Descriptor: Acetyl-CoA acetyltransferase FadA5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Schaefer, C.M, Kisker, C.
Deposit date:2014-08-13
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis.
Structure, 23, 2015
4C6V
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BU of 4c6v by Molmil
Crystal structure of M. tuberculosis KasA in complex with TLM5 (Soak for 5 min)
Descriptor: (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ...
Authors:Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
Deposit date:2013-09-19
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
4C6Z
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BU of 4c6z by Molmil
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM3
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-3-ethyl-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, ...
Authors:Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
Deposit date:2013-09-19
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
4C71
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BU of 4c71 by Molmil
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE, 1,2-ETHANEDIOL, ...
Authors:Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
Deposit date:2013-09-19
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
4C6W
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BU of 4c6w by Molmil
Crystal structure of M. tuberculosis C171Q KasA
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
Deposit date:2013-09-19
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
4C72
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BU of 4c72 by Molmil
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM5
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, ...
Authors:Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
Deposit date:2013-09-19
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
4C6U
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BU of 4c6u by Molmil
Crystal structure of M. tuberculosis KasA in complex with TLM5
Descriptor: (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ...
Authors:Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
Deposit date:2013-09-19
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
4C73
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BU of 4c73 by Molmil
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM6
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one, 1,2-ETHANEDIOL, ...
Authors:Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
Deposit date:2013-09-19
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
4C6X
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BU of 4c6x by Molmil
Crystal structure of M. tuberculosis C171Q KasA in complex with thiolactomycin (TLM)
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ...
Authors:Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
Deposit date:2013-09-19
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
4C70
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BU of 4c70 by Molmil
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM4
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5H)-one, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ...
Authors:Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
Deposit date:2013-09-19
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
5ONC
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BU of 5onc by Molmil
Catabolism of the Cholesterol Side Chain in Mycobacterium tuberculosis is Controlled by a Redox-Sensitive Thiol Switch
Descriptor: CHLORIDE ION, Steroid 3-ketoacyl-CoA thiolase
Authors:Schaefer, C, Kuper, J, Sampson, N.S, Kisker, C.
Deposit date:2017-08-03
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Catabolism of the Cholesterol Side Chain in Mycobacterium tuberculosis Is Controlled by a Redox-Sensitive Thiol Switch.
ACS Infect Dis, 3, 2017

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