PDB: 23765 件ウェブページステータス検索Chemie searchBIRD

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5IBF	Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 19a 分子名称: 4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Levy, C. 登録日 2016-02-22 公開日 2016-04-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J.Med.Chem., 59, 2016
3OXH	Mycobacterium tuberculosis kinase inhibitor homolog RV0577 分子名称: CHLORIDE ION, PARA-MERCURY-BENZENESULFONIC ACID, RV0577 PROTEIN, ... 著者 Echols, N, Flynn, E.M, Stephenson, S, Ng, H.-L, Alber, T, TB Structural Genomics Consortium (TBSGC) 登録日 2010-09-21 公開日 2011-10-19 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural and Biophysical Characterization of the Mycobacterium tuberculosis Protein Rv0577, a Protein Associated with Neutral Red Staining of Virulent Tuberculosis Strains and Homologue of the Streptomyces coelicolor Protein KbpA. Biochemistry, 2017
2I3G	Crystal structure of N-Acetyl-gamma-Glutamyl-Phosphate Reductase (Rv1652) from Mycobacterium tuberculosis in complex with NADP+. 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-gamma-glutamyl-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Cherney, L.T, Cherney, M.M, Garen, C.R, Moraidin, F, James, M.N.G, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB), TB Structural Genomics Consortium (TBSGC) 登録日 2006-08-18 公開日 2006-09-05 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal Structure of N-acetyl-gamma-glutamyl-phosphate Reductase from Mycobacterium tuberculosis in Complex with NADP(+). J.Mol.Biol., 367, 2007
5KWA	complete structure of the Mycobacterium tuberculosis proteasomal ATPase Mpa 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Proteasome-associated ATPase 著者 Wang, T, WU, Y.J. 登録日 2016-07-17 公開日 2017-06-07 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease Mol. Microbiol., 105, 2017
3LAJ	The Structure of the Intermediate Complex of the Arginine Repressor from Mycobacterium tuberculosis Bound to its DNA Operator and L-arginine. 分子名称: 5'-D(*TP*TP*GP*CP*AP*TP*AP*AP*CP*GP*AP*TP*GP*CP*AP*A)-3', 5'-D(*TP*TP*GP*CP*AP*TP*CP*GP*TP*TP*AP*TP*GP*CP*AP*A)-3', ARGININE, ... 著者 Cherney, L.T, Cherney, M.M, Garen, C.R, James, M.N.G, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) 登録日 2010-01-06 公開日 2010-05-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.306 Å) 主引用文献 crystal structure of the intermediate complex of the arginine repressor from Mycobacterium tuberculosis bound with its DNA operator reveals detailed mechanism of arginine repression. J.Mol.Biol., 399, 2010
5KZF	Crystal structure of near full-length hexameric Mycobacterium tuberculosis proteasomal ATPase Mpa in apo form 分子名称: Proteasome-associated ATPase 著者 Li, H, Hu, K, Yang, S, Bai, L. 登録日 2016-07-25 公開日 2017-05-17 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (3.49 Å) 主引用文献 Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease. Mol. Microbiol., 105, 2017
5CWA	Structure of Anthranilate Synthase Component I (TrpE) from Mycobacterium tuberculosis with inhibitor bound 分子名称: 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Anthranilate synthase component 1, GLYCEROL, ... 著者 Johnston, J.M, Bashiri, G, Evans, G.L, Lott, J.S, Baker, E.N. 登録日 2015-07-28 公開日 2015-08-12 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure and inhibition of subunit I of the anthranilate synthase complex of Mycobacterium tuberculosis and expression of the active complex. Acta Crystallogr.,Sect.D, 71, 2015
5H8P	Crystal structure of Mycobacterium tuberculosis malate synthase in apo form 分子名称: Malate synthase G 著者 Krieger, I.V, Huang, H.-L, Sacchettini, J.C. 登録日 2015-12-23 公開日 2016-10-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.105 Å) 主引用文献 Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016
5WP2	1.44 Angstrom crystal structure of CYP121 from Mycobacterium tuberculosis in complex with substrate and CN 分子名称: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, CYANIDE ION, Mycocyclosin synthase, ... 著者 Fielding, A, Dornevil, K, Liu, A. 登録日 2017-08-03 公開日 2018-05-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.439 Å) 主引用文献 Probing Ligand Exchange in the P450 Enzyme CYP121 from Mycobacterium tuberculosis: Dynamic Equilibrium of the Distal Heme Ligand as a Function of pH and Temperature. J. Am. Chem. Soc., 139, 2017
3MH8	Crystal structure of LprG from Mycobacterium tuberculosis 分子名称: Lipoprotein lprG 著者 Tsai, H.-C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) 登録日 2010-04-07 公開日 2010-09-01 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.995 Å) 主引用文献 Mycobacterium tuberculosis lipoprotein LprG (Rv1411c) binds triacylated glycolipid agonists of Toll-like receptor 2. Nat.Struct.Mol.Biol., 17, 2010
3MHA	Crystal structure of LprG from Mycobacterium tuberculosis bound to PIM 分子名称: (1S,2R,3R,4S,5R,6S)-2-(alpha-L-allopyranosyloxy)-3,4,5-trihydroxy-6-({6-O-[(1R)-1-hydroxyhexadecyl]-beta-L-gulopyranosyl}oxy)cyclohexyl (2R)-2-{[(1S)-1-hydroxyhexadecyl]oxy}-3-{[(1S,10S)-1-hydroxy-10-methyloctadecyl]oxy}propyl hydrogen (R)-phosphate, Lipoprotein lprG 著者 Tsai, H.-C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) 登録日 2010-04-07 公開日 2010-09-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Mycobacterium tuberculosis lipoprotein LprG (Rv1411c) binds triacylated glycolipid agonists of Toll-like receptor 2. Nat.Struct.Mol.Biol., 17, 2010
3MH9	Crystal structure of LprG mutant V91W from Mycobacterium tuberculosis 分子名称: Lipoprotein lprG 著者 Tsai, H.-C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) 登録日 2010-04-07 公開日 2010-09-01 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.794 Å) 主引用文献 Mycobacterium tuberculosis lipoprotein LprG (Rv1411c) binds triacylated glycolipid agonists of Toll-like receptor 2. Nat.Struct.Mol.Biol., 17, 2010
5H8M	Crystal structure of Mycobacterium tuberculosis malate synthase C619A, G459A mutant in complex with product malate 分子名称: (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Malate synthase G 著者 Krieger, I.V, Huang, H.-L, Sacchettini, J.C. 登録日 2015-12-23 公開日 2016-10-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016
5H8U	Crystal structure of mycobacterium tuberculosis wild-type malate synthase in complex with product malate 分子名称: (2S)-2-hydroxybutanedioic acid, GLYOXYLIC ACID, MAGNESIUM ION, ... 著者 Krieger, I.V, Huang, H.-L, Sacchettini, J.C. 登録日 2015-12-23 公開日 2016-10-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016
5JA3	Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta- NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-b iphenyl]-4-carboxylic acid (UCP1106) 分子名称: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hajian, B, Anderson, A.C. 登録日 2016-04-11 公開日 2016-08-24 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.814 Å) 主引用文献 Propargyl-Linked Antifolates Are Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis. Plos One, 11, 2016
5E57	Crystal structure of Mycobacterium smegmatis AmtR 分子名称: ACETATE ION, Transcription regulator AmtR 著者 Vickers, C.J, McKenzie, J.L, Arcus, V.L. 登録日 2015-10-07 公開日 2016-09-28 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Structure and Function of AmtR in Mycobacterium smegmatis: Implications for Post-Transcriptional Regulation of Urea Metabolism through a Small Antisense RNA. J.Mol.Biol., 428, 2016
6CN8	High-resolution structure of ClpC1-NTD binding to Rufomycin-I 分子名称: ATP-dependent Clp protease ATP-binding subunit ClpC1, CHLORIDE ION, PHOSPHATE ION, ... 著者 Abad-Zapatero, C, Wolf, N.W. 登録日 2018-03-07 公開日 2019-06-05 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 High-Resolution Structure of ClpC1-Rufomycin and Ligand Binding Studies Provide a Framework to Design and Optimize Anti-Tuberculosis Leads. Acs Infect Dis., 5, 2019
9IQE	Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ADP-bound IFasym-3 (peptidisc) state (ATP 37degrees C treated) 分子名称: ABC transporter transmembrane region, ABC transporter, ATP-binding protein, ... 著者 Lan, Y, Li, J. 登録日 2024-07-12 公開日 2025-05-14 実験手法 ELECTRON MICROSCOPY (3.78 Å) 主引用文献 Structure and mechanism of a mycobacterial isoniazid efflux pump MsRv1273c/72c with a degenerate nucleotide-binding site. Nat Commun, 16, 2025
9IQF	Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the ADP-bound IFasym-3 (peptidisc) state (ADP 4degrees C treated) 分子名称: ABC transporter transmembrane region, ABC transporter, ATP-binding protein, ... 著者 Lan, Y, Li, J. 登録日 2024-07-12 公開日 2025-05-14 実験手法 ELECTRON MICROSCOPY (4.01 Å) 主引用文献 Structure and mechanism of a mycobacterial isoniazid efflux pump MsRv1273c/72c with a degenerate nucleotide-binding site. Nat Commun, 16, 2025
6C67	Mycobacterium tuberculosis adenosine kinase bound to iodotubercidin 分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Adenosine kinase, GLYCEROL, ... 著者 Crespo, R.A, TB Structural Genomics Consortium (TBSGC) 登録日 2018-01-17 公開日 2019-05-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase. J.Med.Chem., 62, 2019
5ECV	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(4-methyl-1H-indol-5-yl)-4-oxobut-2-enoic acid 分子名称: (~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid, MAGNESIUM ION, Malate synthase G 著者 Krieger, I.V, Huang, H.-L, Sacchettini, J.C. 登録日 2015-10-20 公開日 2016-10-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.085 Å) 主引用文献 Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016
4Y0L	Mycobacterial membrane protein MmpL11D2 分子名称: IODIDE ION, Putative membrane protein mmpL11, SULFATE ION 著者 Torres, R, Chim, N, Goulding, C.W. 登録日 2015-02-06 公開日 2015-08-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 The Structure and Interactions of Periplasmic Domains of Crucial MmpL Membrane Proteins from Mycobacterium tuberculosis. Chem.Biol., 22, 2015
2X5W	X-ray structure of Mycobacterium tuberculosis cytochrome P450 CYP125 in complex with substrate cholest-4-en-3-one 分子名称: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, 1,2-ETHANEDIOL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Ouellet, H, Guan, S, Johnston, J.B, Chow, E.D, Kells, P.M, Burlingame, A.L, Cox, J.S, Podust, L.M, Ortiz de Montellano, P.R. 登録日 2010-02-10 公開日 2010-06-16 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Mycobacterium Tuberculosis Cyp125A1, a Steroid C27 Monooxygenase that Detoxifies Intracellularly Generated Cholest-4-En-3-One. Mol.Microbiol., 77, 2010
5E9X	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-chloro-6H-thieno[2,3-b]pyrrole-5-carboxylic acid 分子名称: 2-chloranyl-6~{H}-thieno[2,3-b]pyrrole-5-carboxylic acid, MAGNESIUM ION, Malate synthase G 著者 Huang, H.-L, Sacchettini, J.C. 登録日 2015-10-15 公開日 2016-10-26 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.943 Å) 主引用文献 Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange. J. Biol. Chem., 291, 2016
9DIN	Structure of ClpC1 N-terminal Domain complexed with semi-synthetic Rufomycin analog 分子名称: ACETIC ACID, ATP-dependent Clp protease ATP-binding subunit ClpC1, CHLORIDE ION, ... 著者 Abad-Zapatero, C, Wolf, N.M. 登録日 2024-09-05 公開日 2025-04-16 最終更新日 2025-05-07 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Structure-Based Analysis of Semisynthetic Anti-TB Rufomycin Analogues. J.Nat.Prod., 88, 2025

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