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4ZRA
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BU of 4zra by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS LPRG BINDING TO TRIACYLGLYCERIDE
Descriptor: Lipoprotein LprG, Tripalmitoylglycerol
Authors:Martinot, A.J, Farrow, M, Bai, L, Layre, E, Cheng, T.Y, Tsai, J.H.C, Iqbal, J, Annand, J, Sullivan, Z, Hussain, M, Sacchettini, J, Moody, D.B, Seeliger, J, Rubin, E.J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-05-12
Release date:2016-02-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Mycobacterial Metabolic Syndrome: LprG and Rv1410 Regulate Triacylglyceride Levels, Growth Rate and Virulence in Mycobacterium tuberculosis.
Plos Pathog., 12, 2016
4FB7
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BU of 4fb7 by Molmil
The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Indole-3-glycerol phosphate synthase
Authors:Michalska, K, Chhor, G, Jedrzejczak, R, Terwilliger, T.C, Rubin, E.J, Guinn, K, Baker, D, Ioerger, T.R, Sacchettini, J.C, Joachimiak, A, Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI), Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-05-22
Release date:2012-06-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis
To be Published
4HB7
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BU of 4hb7 by Molmil
The Structure of Dihydropteroate Synthase from Staphylococcus aureus subsp. aureus Mu50.
Descriptor: 1,2-ETHANEDIOL, Dihydropteroate synthase
Authors:Cuff, M.E, Holowicki, J, Jedrzejczak, R, Terwilliger, T.C, Rubin, E.J, Guinn, K, Baker, D, Ioerger, T.R, Sacchettini, J.C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2012-09-27
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Structure of Dihydropteroate Synthase from Staphylococcus aureus subsp. aureus Mu50.
TO BE PUBLISHED
4CMV
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BU of 4cmv by Molmil
Crystal structure of Rv3378c
Descriptor: CITRIC ACID, DITERPENE SYNTHASE, MERCURY (II) ION
Authors:Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B.
Deposit date:2014-01-18
Release date:2014-02-19
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CMX
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BU of 4cmx by Molmil
Crystal structure of Rv3378c
Descriptor: 1,2-ETHANEDIOL, BENZENE HEXACARBOXYLIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B.
Deposit date:2014-01-18
Release date:2014-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CMW
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BU of 4cmw by Molmil
Crystal structure of Rv3378c
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B.
Deposit date:2014-01-18
Release date:2014-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.209 Å)
Cite:Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
Proc.Natl.Acad.Sci.USA, 111, 2014
4X0E
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BU of 4x0e by Molmil
Structure of M. tuberculosis nicotinate mono nucleotide adenylyltransferase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable nicotinate-nucleotide adenylyltransferase, SULFATE ION
Authors:Zuccola, H.J, Ostermna, A.L.
Deposit date:2014-11-21
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Mycobacterial nicotinate mononucleotide adenylyltransferase: structure, mechanism, and implications for drug discovery.
J. Biol. Chem., 290, 2015
4RPI
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BU of 4rpi by Molmil
Crystal Structure of Nicotinate Mononucleotide Adenylyltransferase from Mycobacterium tuberculosis
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, nicotinate-nucleotide adenylyltransferase
Authors:Rodionova, I, Zuccola, H, Sorci, L, Aleshin, A.E, Kazanov, M, Sergienko, E, Rubin, E, Locher, C, Osterman, A.
Deposit date:2014-10-30
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.417 Å)
Cite:Mycobacterial nicotinate mononucleotide adenylyltransferase: structure, mechanism, and implications for drug discovery.
J. Biol. Chem., 290, 2015
5CRF
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BU of 5crf by Molmil
Structure of the penicillin-binding protein PonA1 from Mycobacterium Tuberculosis
Descriptor: PHOSPHATE ION, Penicillin-binding protein 1A
Authors:Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2015-07-22
Release date:2016-05-04
Last modified:2016-07-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance.
Febs J., 283, 2016
5CXW
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BU of 5cxw by Molmil
Structure of the PonA1 protein from Mycobacterium Tuberculosis in complex with penicillin V
Descriptor: (2R,4S)-5,5-dimethyl-2-{(1R)-2-oxo-1-[(phenoxyacetyl)amino]ethyl}-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Filippova, E.V, Kiryukhina, O, Kieser, K, Endres, M, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2015-07-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of the transpeptidase domain of the Mycobacterium tuberculosis penicillin-binding protein PonA1 reveal potential mechanisms of antibiotic resistance.
Febs J., 283, 2016
6U7A
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BU of 6u7a by Molmil
Rv3722c in complex with kynurenine
Descriptor: (2S)-4-(2-aminophenyl)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxobutanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-hydroxyquinoline-2-carboxylic acid, ...
Authors:Mandyoli, L, Sacchettini, J.
Deposit date:2019-09-01
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Aspartate aminotransferase Rv3722c governs aspartate-dependent nitrogen metabolism in Mycobacterium tuberculosis.
Nat Commun, 11, 2020
6U78
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BU of 6u78 by Molmil
Rv3722c in complex with glutamic acid
Descriptor: Aminotransferase, GLUTAMIC ACID, GLYCEROL, ...
Authors:Mandyoli, L, Sacchettini, J.C.
Deposit date:2019-08-31
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Aspartate aminotransferase Rv3722c governs aspartate-dependent nitrogen metabolism in Mycobacterium tuberculosis.
Nat Commun, 11, 2020
3UQC
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BU of 3uqc by Molmil
Structure of the Intracellular Kinase Homology Domain of Rv3910 at 2.2 A resolution
Descriptor: PROBABLE CONSERVED TRANSMEMBRANE PROTEIN, SUCCINIC ACID
Authors:Alber, T, Gee, C.L, Blair, S.R, TB Structural Genomics Consortium (TBSGC)
Deposit date:2011-11-20
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:A phosphorylated pseudokinase complex controls cell wall synthesis in mycobacteria.
Sci.Signal., 5, 2012
6OXD
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BU of 6oxd by Molmil
Structure of Mycobacterium tuberculosis methylmalonyl-CoA mutase with adenosyl cobalamin
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Itaconyl coenzyme A, ...
Authors:Purchal, M, Ruetz, M, Banerjee, R, Koutmos, M.
Deposit date:2019-05-13
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Itaconyl-CoA forms a stable biradical in methylmalonyl-CoA mutase and derails its activity and repair.
Science, 366, 2019
6OXC
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BU of 6oxc by Molmil
Structure of Mycobacterium tuberculosis methylmalonyl-CoA mutase with adenosyl cobalamin
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Methylmalonyl-CoA mutase large subunit, ...
Authors:Purchal, M, Ruetz, M, Banerjee, R, Koutmos, M.
Deposit date:2019-05-13
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Itaconyl-CoA forms a stable biradical in methylmalonyl-CoA mutase and derails its activity and repair.
Science, 366, 2019
4N8N
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BU of 4n8n by Molmil
Crystal structure of Mycobacterial FtsX extracellular domain
Descriptor: Cell division protein FtsX, POTASSIUM ION
Authors:Mavrici, D.
Deposit date:2013-10-17
Release date:2014-05-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.874 Å)
Cite:Mycobacterium tuberculosis FtsX extracellular domain activates the peptidoglycan hydrolase, RipC.
Proc.Natl.Acad.Sci.USA, 111, 2014
4N8O
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BU of 4n8o by Molmil
Crystal structure of Mycobacterial FtsX extracellular domain, bromide derivative
Descriptor: BROMIDE ION, Cell division protein FtsX, POTASSIUM ION
Authors:Mavrici, D.
Deposit date:2013-10-17
Release date:2014-05-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mycobacterium tuberculosis FtsX extracellular domain activates the peptidoglycan hydrolase, RipC.
Proc.Natl.Acad.Sci.USA, 111, 2014
4EBN
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BU of 4ebn by Molmil
BlaC Amoxicillin Acyl-Intermediate Complex
Descriptor: 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION
Authors:Mire, J.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-03-23
Release date:2013-04-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo
To be Published
4EBL
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BU of 4ebl by Molmil
BlaC E166A Faropenem Acyl-Intermediate Complex
Descriptor: (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Mire, J.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-03-23
Release date:2013-04-03
Last modified:2017-02-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo
To be Published
4EBP
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BU of 4ebp by Molmil
BlaC E166A Cefotaxime Acyl-Intermediate Complex
Descriptor: Beta-lactamase, CEFOTAXIME, C3' cleaved, ...
Authors:Mire, J.A, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-03-23
Release date:2013-04-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Faropenem is Effective Against Mycobacterium tuberculosis in vitro and in vivo
To be Published
3LV2
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BU of 3lv2 by Molmil
Crystal structure of Mycobacterium tuberculosis 7,8-diaminopelargonic acid synthase in complex with substrate analog sinefungin
Descriptor: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, SINEFUNGIN
Authors:Dey, S, Sacchettini, J.C.
Deposit date:2010-02-19
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural characterization of the Mycobacterium tuberculosis biotin biosynthesis enzymes 7,8-diaminopelargonic acid synthase and dethiobiotin synthetase .
Biochemistry, 49, 2010
5V3Z
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BU of 5v3z by Molmil
Crystal Structure of the D1607N mutant form of Thioesterase domain of Mtb Pks13
Descriptor: PENTAETHYLENE GLYCOL, Polyketide synthase Pks13 (Termination polyketide synthase), SULFATE ION
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V41
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BU of 5v41 by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM5
Descriptor: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V42
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BU of 5v42 by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM3
Descriptor: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017
5V3Y
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BU of 5v3y by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM16
Descriptor: 2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide, Polyketide synthase Pks13 (Termination polyketide synthase), SULFATE ION
Authors:Aggarwal, A, Sacchettini, J.C.
Deposit date:2017-03-08
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13.
Cell, 170, 2017

 

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