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5C1R
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BU of 5c1r by Molmil
Stereoisomer of PRPP bound in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyl (AnPRT; trpD)
Descriptor: 5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, GLYCEROL, ...
Authors:Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-06-15
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Binding and mimicking of the phosphate-rich substrate, PRPP.
To Be Published
5C2L
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BU of 5c2l by Molmil
Magnesium soaked into the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)
Descriptor: Anthranilate phosphoribosyltransferase, IMIDAZOLE, MAGNESIUM ION
Authors:Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-06-16
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Binding and mimicking of the phosphate-rich substrate, PRPP
To Be Published
4WCW
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BU of 4wcw by Molmil
Ribosomal silencing factor during starvation or stationary phase (RsfS) from Mycobacterium tuberculosis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, Ribosomal silencing factor RsfS
Authors:Li, X, Sun, Q, Jiang, C, Yang, K, Hung, L, Zhang, J, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2014-09-05
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Ribosomal Silencing Factor Bound to Mycobacterium tuberculosis Ribosome.
Structure, 23, 2015
8GKF
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BU of 8gkf by Molmil
Phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis in complex with Raltitrexed.
Descriptor: 4'-phosphopantetheinyl transferase PptT, TOMUDEX
Authors:Krieger, I.V, Singh, A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2023-03-18
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Redirecting raltitrexed from cancer cell thymidylate synthase to Mycobacterium tuberculosis phosphopantetheinyl transferase.
Sci Adv, 10, 2024
7SVT
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BU of 7svt by Molmil
Mycobacterium tuberculosis 3-hydroxyl-ACP dehydratase HadAB in complex with 1,3-diarylpyrazolyl-acylsulfonamide inhibitor
Descriptor: (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 1,2-ETHANEDIOL, 3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-11-19
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:1,3-Diarylpyrazolyl-acylsulfonamides Target HadAB/BC Complex in Mycobacterium tuberculosis .
Acs Infect Dis., 8, 2022
3DHY
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BU of 3dhy by Molmil
Crystal Structures of Mycobacterium tuberculosis S-Adenosyl-L-Homocysteine Hydrolase in Ternary Complex with Substrate and Inhibitors
Descriptor: 5'-S-ethyl-5'-thioadenosine, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Shetty, N.D, Ioerger, T.R, Gokulan, K, Reddy, M.C.M, Owen, J.L, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2008-06-19
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008
3ERE
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BU of 3ere by Molmil
Crystal structure of the arginine repressor protein from Mycobacterium tuberculosis in complex with the DNA operator
Descriptor: 5'-D(*DTP*DTP*DGP*DCP*DAP*DTP*DAP*DAP*DCP*DGP*DAP*DTP*DGP*DCP*DAP*DA)-3', 5'-D(*DTP*DTP*DGP*DCP*DAP*DTP*DCP*DGP*DTP*DTP*DAP*DTP*DGP*DCP*DAP*DA)-3', Arginine repressor, ...
Authors:Cherney, L.T, Cherney, M.M, Garen, C.R, Lu, G.J, James, M.N, TB Structural Genomics Consortium (TBSGC)
Deposit date:2008-10-01
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the arginine repressor protein in complex with the DNA operator from Mycobacterium tuberculosis.
J.Mol.Biol., 384, 2008
7N8L
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BU of 7n8l by Molmil
PptT PAP(CoA) 9016 complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-15
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
7N8M
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BU of 7n8m by Molmil
PptT PAP(CoA) 8978B complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-15
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
7N8E
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BU of 7n8e by Molmil
PptT PAP(CoA) 9056 complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-14
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
6PRW
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BU of 6prw by Molmil
CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor: Propionyl-CoA carboxylase subunit beta, {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
Authors:Reddy, M.C.M, Nian, Z, Michele, S.T.C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-07-11
Release date:2020-07-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.609 Å)
Cite:CRYSTAL STRUCTURE OF THE CARBOXYLTRANSFERASE SUBUNIT OF ACC (ACCD6) IN COMPLEX WITH INHIBITOR QUIZALOFOP-P DEVERIVATIVE FROM MYCOBACTERIUM TUBERCULOSIS
To Be Published
6WSI
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BU of 6wsi by Molmil
Intact cis-2,3-epoxysuccinic acid bound to Isocitrate Lyase-1 from Mycobacterium tuberculosis
Descriptor: (2R,3S)-oxirane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Krieger, I.V, Mellott, D, Meek, T.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2020-05-01
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Covalent Inactivation of Mycobacterium tuberculosis Isocitrate Lyase by cis -2,3-Epoxy-Succinic Acid.
Acs Chem.Biol., 16, 2021
5KVU
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BU of 5kvu by Molmil
Crystal structure of isocitrate dehydrogenase-2 in complex with NADP(+) from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, D-MALATE, GLYCEROL, ...
Authors:Cheng, Y.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2016-07-15
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural and kinetic characterization of isocitrate dehydrogenase-2 from Mycobacterium tuberculosis
To Be Published
6OYY
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BU of 6oyy by Molmil
Crystal structure of Mtb aspartate decarboxylase, pyrazinoic acid complex
Descriptor: Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, PYRAZINE-2-CARBOXYLIC ACID
Authors:Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-05-15
Release date:2020-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
3CAG
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BU of 3cag by Molmil
Crystal structure of the oligomerization domain hexamer of the arginine repressor protein from Mycobacterium tuberculosis in complex with 9 arginines.
Descriptor: ARGININE, Arginine repressor
Authors:Cherney, L.T, Cherney, M.M, Garen, C.R, Lu, G.J, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
Deposit date:2008-02-19
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the C-terminal domain of the arginine repressor protein from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 64, 2008
3DBO
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BU of 3dbo by Molmil
Crystal structure of a member of the VapBC family of toxin-antitoxin systems, VapBC-5, from Mycobacterium tuberculosis
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, SODIUM ION, ...
Authors:Miallau, L, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)
Deposit date:2008-06-02
Release date:2008-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure and Proposed Activity of a Member of the VapBC Family of Toxin-Antitoxin Systems: VapBC-5 FROM MYCOBACTERIUM TUBERCULOSIS.
J.Biol.Chem., 284, 2009
5KVV
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BU of 5kvv by Molmil
Structure of Malate Dehydrogenase in complex with NADH from Mycobacterium tuberculosis
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Cheng, Y.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2016-07-15
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure of Malate Dehydrogenase in complex with NADH from Mycobacterium tuberculosis
To Be Published
6UNC
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BU of 6unc by Molmil
The crystal structure of Phosphopantetheinyl Hydrolase (PptH) from Mycobacterium tuberculosis
Descriptor: FE (III) ION, MANGANESE (II) ION, Metallophos domain-containing protein
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-10-11
Release date:2020-04-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into phosphopantetheinyl hydrolase PptH from Mycobacterium tuberculosis.
Protein Sci., 29, 2020
6BU1
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BU of 6bu1 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-3-OH-phenyldiketoacid
Descriptor: (2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-12-08
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.584 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6TZV
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BU of 6tzv by Molmil
Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor Phenyl-Cyclodiaone from Mycobacterium tuberculosis
Descriptor: 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one, Probable propionyl-CoA carboxylase beta chain 6
Authors:Reddy, M.C.M, Zhou, N, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-08-13
Release date:2020-08-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.388 Å)
Cite:Novel herbicidal derivatives that inhibit carboxyltransferase subunit of the acetyl-CoA carboxylase in Mycobacterium tuberculosis
To Be Published
6VB9
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BU of 6vb9 by Molmil
Covalent adduct of cis-2,3-epoxysuccinic acid with Isocitrate Lyase-1 from Mycobacterium tuberculosis
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Isocitrate lyase, ...
Authors:Krieger, I.V, Pham, T.V, Meek, T.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-12-18
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Covalent Inactivation of Mycobacterium tuberculosis Isocitrate Lyase by cis -2,3-Epoxy-Succinic Acid.
Acs Chem.Biol., 16, 2021
5DLB
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BU of 5dlb by Molmil
Crystal structure of chaperone EspG3 of ESX-3 type VII secretion system from Mycobacterium marinum M
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, PLATINUM (II) ION, ...
Authors:Chan, S, Arbing, M.A, Kim, J, Kahng, S, Sawaya, M.R, Eisenberg, D.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-09-04
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Variability of EspG Chaperones from Mycobacterial ESX-1, ESX-3, and ESX-5 Type VII Secretion Systems.
J. Mol. Biol., 431, 2019
4UAQ
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BU of 4uaq by Molmil
Crystal structure of the accessory translocation ATPase, SecA2, from Mycobacterium tuberculosis
Descriptor: Protein translocase subunit SecA 2
Authors:Swanson-Smith, S, Ioerger, T.R, Rigel, N.W, Miller, B.K, Braunstein, M, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2014-08-11
Release date:2015-09-09
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Similarities and Differences between Two Functionally Distinct SecA Proteins, Mycobacterium tuberculosis SecA1 and SecA2.
J.Bacteriol., 198, 2015
5CYU
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BU of 5cyu by Molmil
Structure of the soluble domain of EccB1 from the Mycobacterium smegmatis ESX-1 secretion system.
Descriptor: Conserved membrane protein
Authors:Arbing, M.A, Chan, S, Kahng, S, Kim, J, Eisenberg, D.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-07-30
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Structures of EccB1 and EccD1 from the core complex of the mycobacterial ESX-1 type VII secretion system.
Bmc Struct.Biol., 16, 2016
6AU9
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BU of 6au9 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with dioxine-phenyldiketoacid
Descriptor: (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-08-31
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018

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