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8I68	Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric acid, Form III Descriptor: 1,2-ETHANEDIOL, URIC ACID, Uracil-DNA glycosylase Authors: Raj, P, Paul, A, Gopal, B. Deposit date: 2023-01-27 Release date: 2023-07-12 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Eur.J.Med.Chem., 258, 2023
4G2R	Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor haloxyfop from Mycobacterium tuberculosis Descriptor: (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid, AccD6, Carboxyltransferase beta-subunit of Acyl-CoA Carboxylase Authors: Reddy, M.C.M, Bruning, J.B, Thurman, C, Sherekar, M, Valluru, S, Ehrenfeld, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) Deposit date: 2012-07-12 Release date: 2014-02-19 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Structure, Activity, and Inhibition of the Carboxyltransferase beta-Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosis. Antimicrob.Agents Chemother., 58, 2014
5IEU	Crystal Structure of Mycobacterium Tuberculosis ATP-independent Proteasome Activator Tetramer Descriptor: Bacterial proteasome activator Authors: Bai, L, Hu, K, Wang, T, Jastrab, J.B, Darwin, K.H, Li, H. Deposit date: 2016-02-25 Release date: 2016-03-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural analysis of the dodecameric proteasome activator PafE in Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016
6T0G	Crystal structure of CYP124 in complex with vitamin D3 Descriptor: (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, MAGNESIUM ION, Methyl-branched lipid omega-hydroxylase, ... Authors: Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. Deposit date: 2019-10-03 Release date: 2020-10-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
6PCM	Crystal Structure of Mycobacterium smegmatis Topoisomerase I with ssDNA bound to both N- and C-terminal domains Descriptor: DNA (5'-D(P*AP*GP*TP*GP*AP*GP*CP*GP*AP*GP*CP*TP*TP*CP*CP*GP*CP*TP*TP*GP*AP*CP*TP*T)-3'), DNA topoisomerase 1, SULFATE ION Authors: Tan, K, Cao, N, Tse-Dinh, Y.C. Deposit date: 2019-06-17 Release date: 2020-03-25 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.107 Å) Cite: Mechanistic insights from structure of Mycobacterium smegmatis topoisomerase I with ssDNA bound to both N- and C-terminal domains. Nucleic Acids Res., 48, 2020
6T0K	Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole Descriptor: CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, GLYCEROL, ... Authors: Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. Deposit date: 2019-10-03 Release date: 2020-10-14 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.18 Å) Cite: Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
5O0A	Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 5-methyl-1-phenyl-pyrazole-4-carboxylic acid (Fragment 1) Descriptor: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L. Deposit date: 2017-05-16 Release date: 2017-06-28 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.805 Å) Cite: Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew. J. Mol. Biol., 429, 2017
5O0C	Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 3-(3-methyl-1H-indol-1-yl)propanoic acid (Fragment 3) Descriptor: 3-(3-methylindol-1-yl)propanoic acid, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L. Deposit date: 2017-05-16 Release date: 2017-06-28 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.642 Å) Cite: Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew. J. Mol. Biol., 429, 2017
4XGQ	Crystal structure of addiction module from Mycobacterial species Descriptor: Antitoxin VapB30, MAGNESIUM ION, Ribonuclease VapC30 Authors: Lee, B.-J, Lee, I.-G, Lee, S.J. Deposit date: 2015-01-02 Release date: 2015-08-12 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural and functional studies of the Mycobacterium tuberculosis VapBC30 toxin-antitoxin system: implications for the design of novel antimicrobial peptides Nucleic Acids Res., 43, 2015
4XGR	Crystal structure of addiction module from Mycobacterial species Descriptor: Antitoxin VapB30, MAGNESIUM ION, Ribonuclease VapC30 Authors: Lee, B.-J, Lee, I.-G, Lee, S.J. Deposit date: 2015-01-02 Release date: 2015-08-12 Last modified: 2015-09-16 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural and functional studies of the Mycobacterium tuberculosis VapBC30 toxin-antitoxin system: implications for the design of novel antimicrobial peptides Nucleic Acids Res., 43, 2015
6DRQ	The crystal structure of SatS c-terminal domain in complex with bromine Descriptor: BROMIDE ION, Primosomal protein Authors: Hughes, R.C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) Deposit date: 2018-06-12 Release date: 2019-01-23 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Mycobacterium tuberculosisSatS is a chaperone for the SecA2 protein export pathway. Elife, 8, 2019
3NXS	Crystal structure of LAO/AO transport system from Mycobacterium smegmatis bound to GDP Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, LAO/AO transport system ATPase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2010-07-14 Release date: 2010-07-28 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structures of Mycobacterial MeaB and MMAA-like GTPases J.Struct.Funct.Genom., 16, 2015
4WS6	Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-aminouracil, Form I Descriptor: 1,2-ETHANEDIOL, 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, CHLORIDE ION, ... Authors: Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. Deposit date: 2014-10-25 Release date: 2015-07-15 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
5U94	Crystal structure of the Mycobacterium tuberculosis PASTA kinase PknB in complex with the potential theraputic kinase inhibitor GSK690693. Descriptor: 4-{2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S)-piperidin-3-ylmethoxy]-1H-imidazo[4,5-c]pyridin-4-yl}-2-methylbut-3 -yn-2-ol, GLYCEROL, MAGNESIUM ION, ... Authors: Wlodarchak, N, Satyshur, K, Striker, R. Deposit date: 2016-12-15 Release date: 2017-12-20 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.2 Å) Cite: In Silico Screen and Structural Analysis Identifies Bacterial Kinase Inhibitors which Act with beta-Lactams To Inhibit Mycobacterial Growth. Mol. Pharm., 15, 2018
4WNB	Crystal structure of the ChsH1-ChsH2 complex from Mycobacterium tuberculosis bound to 3-OPC-CoA Descriptor: 3-oxo-4-pregnene-20-carboxyl-Coenzyme A, CADMIUM ION, CALCIUM ION, ... Authors: Guja, K.E, Yang, M, Sampson, N, Garcia-Diaz, M. Deposit date: 2014-10-11 Release date: 2014-10-29 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.76 Å) Cite: A Distinct MaoC-like Enoyl-CoA Hydratase Architecture Mediates Cholesterol Catabolism in Mycobacterium tuberculosis. Acs Chem.Biol., 9, 2014
4V1F	Crystal structure of a mycobacterial ATP synthase rotor ring in complex with Bedaquiline Descriptor: Bedaquiline, F0F1 ATP SYNTHASE SUBUNIT C, octyl beta-D-glucopyranoside Authors: Preiss, L, Yildiz, O, Meier, T. Deposit date: 2014-09-26 Release date: 2015-05-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.697 Å) Cite: Structure of the mycobacterial ATP synthase Fo rotor ring in complex with the anti-TB drug bedaquiline. Sci Adv, 1, 2015
4W78	Crystal structure of the ChsH1-ChsH2 complex from Mycobacterium tuberculosis Descriptor: CADMIUM ION, CALCIUM ION, CHLORIDE ION, ... Authors: Guja, K.E, Yang, M, Sampson, N, Garcia-Diaz, M. Deposit date: 2014-08-21 Release date: 2014-10-08 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.541 Å) Cite: A Distinct MaoC-like Enoyl-CoA Hydratase Architecture Mediates Cholesterol Catabolism in Mycobacterium tuberculosis. Acs Chem.Biol., 9, 2014
4V1G	Crystal structure of a mycobacterial ATP synthase rotor ring Descriptor: F0F1 ATP SYNTHASE SUBUNIT C, octyl beta-D-glucopyranoside Authors: Preiss, L, Yildiz, O, Meier, T. Deposit date: 2014-09-26 Release date: 2015-05-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Structure of the Mycobacterial ATP Synthase Fo Rotor Ring in Complex with the Anti-Tb Drug Bedaquiline. Sci.Adv., 1, 2015
6H59	Crystal structure of Mycobacterium tuberculosis phosphatidylinositol phosphate synthase (PgsA1) with CDP-DAG bound Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CDP-diacylglycerol--inositol 3-phosphatidyltransferase, MAGNESIUM ION, ... Authors: Grave, K, Hogbom, M. Deposit date: 2018-07-24 Release date: 2019-05-15 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure ofMycobacterium tuberculosisphosphatidylinositol phosphate synthase reveals mechanism of substrate binding and metal catalysis. Commun Biol, 2, 2019
6T0F	Crystal structure of CYP124 in complex with cholest-4-en-3-one Descriptor: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, ... Authors: Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. Deposit date: 2019-10-03 Release date: 2020-10-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
6H5A	Crystal structure of Mycobacterium tuberculosis phosphatidylinositol phosphate synthase (PgsA1) in complex with manganese and citrate Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CDP-diacylglycerol--inositol 3-phosphatidyltransferase, CITRATE ANION, ... Authors: Grave, K, Hogbom, M. Deposit date: 2018-07-24 Release date: 2019-05-15 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Structure ofMycobacterium tuberculosisphosphatidylinositol phosphate synthase reveals mechanism of substrate binding and metal catalysis. Commun Biol, 2, 2019
6T0H	Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3 Descriptor: 1-alpha-hydroxy-vitamin D3, CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, ... Authors: Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. Deposit date: 2019-10-03 Release date: 2020-10-14 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.18 Å) Cite: Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
6T0L	Crystal structure of CYP124 in complex with inhibitor compound 5' Descriptor: CHLORIDE ION, CYP124 in complex with inhibitor compound 5', DI(HYDROXYETHYL)ETHER, ... Authors: Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. Deposit date: 2019-10-03 Release date: 2020-10-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
5D1R	Crystal structure of Mycobacterium tuberculosis Rv1816 transcriptional regulator. Descriptor: MAGNESIUM ION, NICKEL (II) ION, Rv1816 transcriptional regulator, ... Authors: Chou, T.-H, Delmar, J, Su, C.-C, Yu, E. Deposit date: 2015-08-04 Release date: 2015-09-30 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Basis for the Regulation of the MmpL Transporters of Mycobacterium tuberculosis. J.Biol.Chem., 290, 2015
5IET	Crystal Structure of Mycobacterium Tuberculosis ATP-independent Proteasome activator Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Bacterial proteasome activator, SULFATE ION Authors: Bai, L, Hu, K, Wang, T, Jastrab, J.B, Darwin, K.H, Li, H. Deposit date: 2016-02-25 Release date: 2016-03-30 Last modified: 2019-12-11 Method: X-RAY DIFFRACTION (2.88 Å) Cite: Structural analysis of the dodecameric proteasome activator PafE in Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 113, 2016

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