PDB: 22634 件ウェブページステータス検索Chemie searchBIRD

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7NQO	Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... 著者 Selvam, I.R. 登録日 2021-03-01 公開日 2022-02-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
7NQN	Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... 著者 Selvam, I.R. 登録日 2021-03-01 公開日 2022-02-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
7NQM	Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole, CHLORIDE ION, ... 著者 Selvam, I.R. 登録日 2021-03-01 公開日 2022-02-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
8HKR	Crystal Structure of Histone H3 Lysine 79 (H3K79) Methyltransferase Rv2067c from Mycobacterium tuberculosis 分子名称: PHOSPHATE ION, Protein lysine methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE 著者 Dadireddy, V, Singh, P.R, Kalladi, S.M, Valakunja, N, Ramakumar, S. 登録日 2022-11-28 公開日 2023-10-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 The Mycobacterium tuberculosis methyltransferase Rv2067c manipulates host epigenetic programming to promote its own survival. Nat Commun, 14, 2023
6KHH	Crystal Structure of HisB from Mycobacterium tuberculosis 分子名称: ACETAMIDE, CHLORIDE ION, Imidazoleglycerol-phosphate dehydratase, ... 著者 Kumar, D, Jha, B, Pal, R.K, Biswal, B.K. 登録日 2019-07-15 公開日 2020-07-15 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Characterization of a triazole scaffold compound as an inhibitor of Mycobacterium tuberculosis imidazoleglycerol-phosphate dehydratase. Proteins, 2021
5W2P	Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5 分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ... 著者 Capodagli, G.C, Neiditch, M.B. 登録日 2017-06-06 公開日 2018-12-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA. MBio, 9, 2018
4ZRA	CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS LPRG BINDING TO TRIACYLGLYCERIDE 分子名称: Lipoprotein LprG, Tripalmitoylglycerol 著者 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) 登録日 2015-05-12 公開日 2016-02-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Mycobacterial Metabolic Syndrome: LprG and Rv1410 Regulate Triacylglyceride Levels, Growth Rate and Virulence in Mycobacterium tuberculosis. Plos Pathog., 12, 2016
4XTU	Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide) 分子名称: Bifunctional ligase/repressor BirA, N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide 著者 De la Mora-Rey, T, Finzel, B.C. 登録日 2015-01-24 公開日 2016-01-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.6500299 Å) 主引用文献 Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor (N-({[(1R,2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide) To be Published
5BP3	Dehydratase domain (DH) of a mycocerosic acid synthase-like (MAS-like) PKS, crystal form 2 分子名称: 1,2-ETHANEDIOL, Mycocerosic acid synthase-like polyketide synthase 著者 Herbst, D.A, Jakob, P.R, Zaehringer, F, Maier, T. 登録日 2015-05-27 公開日 2016-03-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Mycocerosic acid synthase exemplifies the architecture of reducing polyketide synthases. Nature, 531, 2016
5BP2	Dehydratase domain (DH) of a mycocerosic acid synthase-like (MAS-like) PKS, crystal form 1 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... 著者 Herbst, D.A, Jakob, P.R, Zaehringer, F, Maier, T. 登録日 2015-05-27 公開日 2016-03-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Mycocerosic acid synthase exemplifies the architecture of reducing polyketide synthases. Nature, 531, 2016
5ZON	Histidinol phosphate phosphatase from Mycobacterium tuberculosis 分子名称: GLYCEROL, Histidinol-phosphatase, PHOSPHATE ION, ... 著者 Jha, B, Kumar, D, Biswal, B.K. 登録日 2018-04-13 公開日 2018-05-23 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Identification and structural characterization of a histidinol phosphate phosphatase from Mycobacterium tuberculosis J. Biol. Chem., 293, 2018
3NE1	Mycobacterium tuberculosis Acyl Carrier Protein Synthase in complex with sulfate ion 分子名称: Holo-[acyl-carrier-protein] synthase, SULFATE ION 著者 Gokulan, K. 登録日 2010-06-08 公開日 2010-07-21 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Mycobacterium tuberculosis acyl carrier protein synthase adopts two different pH-dependent structural conformations. Acta Crystallogr.,Sect.D, 67, 2011
1EWJ	CRYSTAL STRUCTURE OF BLEOMYCIN-BINDING PROTEIN COMPLEXED WITH BLEOMYCIN 分子名称: BLEOMYCIN A2, BLEOMYCIN RESISTANCE DETERMINANT 著者 Maruyama, M, Kumagai, T, Matoba, Y, Hata, Y, Sugiyama, M. 登録日 2000-04-26 公開日 2001-04-26 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structures of the transposon Tn5-carried bleomycin resistance determinant uncomplexed and complexed with bleomycin. J.Biol.Chem., 276, 2001
1KLP	The Solution Structure of Acyl Carrier Protein from Mycobacterium tuberculosis 分子名称: MEROMYCOLATE EXTENSION ACYL CARRIER PROTEIN 著者 Wong, H.C, Liu, G, Zhang, Y.-M, Rock, C.O, Zheng, J. 登録日 2001-12-12 公開日 2002-06-07 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 The solution structure of acyl carrier protein from Mycobacterium tuberculosis. J.Biol.Chem., 277, 2002
7CLL	Mycobacterium tubeculosis enolase in complex with 2-Phosphoglycerate 分子名称: 2-PHOSPHOGLYCERIC ACID, ACETATE ION, CHLORIDE ION, ... 著者 Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K. 登録日 2020-07-21 公開日 2021-07-28 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
7DLR	Mycobacterium tuberculosis enolase mutant - E163A 分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... 著者 Ahmad, M, Biswal, B.K. 登録日 2020-11-30 公開日 2021-12-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
7CLK	Mycobacterium tuberculosis enolase in complex with alternate 2-phosphoglycerate 分子名称: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ... 著者 Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K. 登録日 2020-07-21 公開日 2022-01-26 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
1N5J	CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE DIPHOSPHATE (TDP) AND THYMIDINE TRIPHOSPHATE (TTP) AT PH 5.4 (1.85 A RESOLUTION) 分子名称: MAGNESIUM ION, SULFATE ION, THYMIDINE-5'-DIPHOSPHATE, ... 著者 Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. 登録日 2002-11-06 公開日 2003-04-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway J.Mol.Biol., 327, 2003
1N5I	CRYSTAL STRUCTURE OF INACTIVE MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP) AT PH 4.6 (RESOLUTION 1.85 A) 分子名称: ADENOSINE-5'-TRIPHOSPHATE, CITRATE ANION, SULFATE ION, ... 著者 Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. 登録日 2002-11-06 公開日 2003-04-08 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway J.Mol.Biol., 327, 2003
1N5K	CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE (RESOLUTION 2.1 A) 分子名称: ACETATE ION, MAGNESIUM ION, THYMIDINE-5'-PHOSPHATE, ... 著者 Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. 登録日 2002-11-06 公開日 2003-04-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway J.Mol.Biol., 375, 2003
1N5L	CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE CRYSTALLIZED IN SODIUM MALONATE, AFTER CATALYSIS IN THE CRYSTAL (2.3 A RESOLUTION) 分子名称: ACETATE ION, DIPHOSPHATE, MAGNESIUM ION, ... 著者 Fioravanti, E, Haouz, A, Ursby, T, Munier-Lehmann, H, Delarue, M, Bourgeois, D. 登録日 2002-11-06 公開日 2003-04-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Mycobacterium tuberculosis Thymidylate Kinase: Structural Studies of Intermediates along the Reaction Pathway J.Mol.Biol., 375, 2003
2A4W	Crystal Structure Of Mitomycin C-Binding Protein Complexed with Copper(II)-Bleomycin A2 分子名称: BLEOMYCIN A2, COPPER (II) ION, Mitomycin-Binding Protein 著者 Danshiitsoodol, N, de Pinho, C.A, Matoba, Y, Kumagai, T, Sugiyama, M. 登録日 2005-06-30 公開日 2006-07-18 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 The Mitomycin C (MMC)-binding Protein from MMC-producing Microorganisms Protects from the Lethal Effect of Bleomycin: Crystallographic Analysis to Elucidate the Binding Mode of the Antibiotic to the Protein J.Mol.Biol., 360, 2006
4QB9	Crystal structure of Mycobacterium smegmatis Eis in complex with paromomycin 分子名称: Enhanced intracellular survival protein, PAROMOMYCIN, SULFATE ION 著者 Kim, K.H, Ahn, D.R, Yoon, H.J, Yang, J.K, Suh, S.W. 登録日 2014-05-06 公開日 2015-04-01 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (3.293 Å) 主引用文献 Structure of Mycobacterium smegmatis Eis in complex with paromomycin. Acta Crystallogr.,Sect.F, 70, 2014
2A4X	Crystal Structure Of Mitomycin C-Binding Protein Complexed with Metal-Free Bleomycin A2 分子名称: BLEOMYCIN A2, Mitomycin-Binding Protein 著者 Danshiitsoodol, N, de Pinho, C.A, Matoba, Y, Kumagai, T, Sugiyama, M. 登録日 2005-06-30 公開日 2006-07-18 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 The Mitomycin C (MMC)-binding Protein from MMC-producing Microorganisms Protects from the Lethal Effect of Bleomycin: Crystallographic Analysis to Elucidate the Binding Mode of the Antibiotic to the Protein J.Mol.Biol., 360, 2006
4G3N	Mycobacterium tuberculosis gyrase type IIA topoisomerase C-terminal domain at 1.4 A resolution 分子名称: DNA gyrase subunit A 著者 Darmon, A, Piton, J, Petrella, S, Aubry, A, Mayer, C. 登録日 2012-07-15 公開日 2013-08-07 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Mycobacterium tuberculosis DNA gyrase possesses two functional GyrA-boxes. Biochem.J., 455, 2013

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