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4KBJ
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BU of 4kbj by Molmil
Structure of Mtb RNAP Beta subunit B1 and B2 domains
分子名称: DNA-directed RNA polymerase subunit beta
著者Gulten, G, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2013-04-23
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4532 Å)
主引用文献Structure of the Mtb CarD/RNAP beta-Lobes Complex Reveals the Molecular Basis of Interaction and Presents a Distinct DNA-Binding Domain for Mtb CarD.
Structure, 21, 2013
4KBM
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BU of 4kbm by Molmil
Structure of the Mtb CarD/RNAP Beta subunit B1-B2 domains complex
分子名称: DNA-directed RNA polymerase subunit beta, RNA polymerase-binding transcription factor CarD
著者Gulten, G, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2013-04-23
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1146 Å)
主引用文献Structure of the Mtb CarD/RNAP beta-Lobes Complex Reveals the Molecular Basis of Interaction and Presents a Distinct DNA-Binding Domain for Mtb CarD.
Structure, 21, 2013
5JFO
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BU of 5jfo by Molmil
Structure of the M.tuberculosis enoyl-reductase InhA in complex with GSK625
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], N-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(1S)-1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Gulten, G, Sacchettini, J.C.
登録日2016-04-19
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.907 Å)
主引用文献Antitubercular drugs for an old target: GSK693 as a promising InhA direct inhibitor.
Ebiomedicine, 8, 2016
4QXM
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BU of 4qxm by Molmil
Crystal structure of the InhA:GSK_SB713 complex
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], N-(2-chloro-4-fluorobenzyl)-4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Gulten, G, Sacchettini, J.C.
登録日2014-07-21
公開日2015-07-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献N-Benzyl-4-((heteroaryl)methyl)benzamides: A New Class of Direct NADH-Dependent 2-trans Enoyl-Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular Activity.
Chemmedchem, 11, 2016
6W32
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BU of 6w32 by Molmil
Crystal structure of Sfh5
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Phosphatidylinositol transfer protein SFH5
著者Gulten, G, Khan, D, Aggarwal, A, Krieger, I, Sacchettini, J.C, Bankaitis, V.A.
登録日2020-03-08
公開日2020-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Sec14-like phosphatidylinositol transfer protein paralog defines a novel class of heme-binding proteins.
Elife, 9, 2020
3OEY
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BU of 3oey by Molmil
Crystal structure of InhA_T266E:NADH complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Molle, V, Gulten, G, Vilcheze, C, Veyron-Churlet, R, Zanella-Cleon, I, Sacchettini, J.C, Jacobs Jr, W.R, Kremer, L.
登録日2010-08-13
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosphorylation of InhA inhibits mycolic acid biosynthesis and growth of Mycobacterium tuberculosis.
Mol.Microbiol., 78, 2010
3OEW
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Crystal structure of wild-type InhA:NADH complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Molle, V, Gulten, G, Vilcheze, C, Veyron-Churlet, R, Zanella-Cleon, I, Sacchettini, J.C, Jacobs Jr, W.R, Kremer, L.
登録日2010-08-13
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Phosphorylation of InhA inhibits mycolic acid biosynthesis and growth of Mycobacterium tuberculosis.
Mol.Microbiol., 78, 2010
3OF2
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BU of 3of2 by Molmil
Crystal structure of InhA_T266D:NADH complex
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Molle, V, Gulten, G, Vilcheze, C, Veyron-Churlet, R, Zanella-Cleon, I, Sacchettini, J.C, Jacobs Jr, W.R, Kremer, L.
登録日2010-08-13
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Phosphorylation of InhA inhibits mycolic acid biosynthesis and growth of Mycobacterium tuberculosis.
Mol.Microbiol., 78, 2010
6VC8
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BU of 6vc8 by Molmil
Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K.
登録日2019-12-20
公開日2021-02-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
2H9I
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BU of 2h9i by Molmil
Mycobacterium tuberculosis InhA bound with ETH-NAD adduct
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-ETHYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}METHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
著者Wang, F, Sacchettini, J.C.
登録日2006-06-09
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of thioamide drug action against tuberculosis and leprosy.
J.Exp.Med., 204, 2007
8U1M
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BU of 8u1m by Molmil
Cryo-EM structure of the HSP90 dimer (NTD-MD) in the semi-open state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 83, MAGNESIUM ION
著者Finci, L.I, Simanshu, D.K.
登録日2023-09-01
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural dynamics of RAF1-HSP90-CDC37 and HSP90 complexes reveal asymmetric client interactions and key structural elements.
Commun Biol, 7, 2024
8U1N
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BU of 8u1n by Molmil
Cryo-EM structure of the cross-linked HSP90 dimer (NTD-MD) in the semi-open state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 83, MAGNESIUM ION
著者Finci, L.I, Simanshu, D.K.
登録日2023-09-01
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural dynamics of RAF1-HSP90-CDC37 and HSP90 complexes reveal asymmetric client interactions and key structural elements.
Commun Biol, 7, 2024
8U1L
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BU of 8u1l by Molmil
Cryo-EM structure of the RAF1-HSP90-CDC37 complex in the closed state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 83, Hsp90 co-chaperone Cdc37, ...
著者Finci, L.I, Simanshu, D.K.
登録日2023-09-01
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural dynamics of RAF1-HSP90-CDC37 and HSP90 complexes reveal asymmetric client interactions and key structural elements.
Commun Biol, 7, 2024
2NTJ
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BU of 2ntj by Molmil
Mycobacterium tuberculosis InhA bound with PTH-NAD adduct
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH, {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
著者Wang, F, Sacchettini, J.C.
登録日2006-11-07
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism of thioamide drug action against tuberculosis and leprosy.
J.Exp.Med., 204, 2007
2NTV
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BU of 2ntv by Molmil
Mycobacterium leprae InhA bound with PTH-NAD adduct
分子名称: Enoyl-[ACP] reductase, {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
著者Wang, F, Sacchettini, J.C.
登録日2006-11-08
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanism of thioamide drug action against tuberculosis and leprosy.
J.Exp.Med., 204, 2007
2PFC
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BU of 2pfc by Molmil
Structure of Mycobacterium tuberculosis Rv0098
分子名称: Hypothetical protein Rv0098/MT0107, PALMITIC ACID
著者Wang, F, Sacchettini, J.C.
登録日2007-04-04
公開日2008-04-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of a type III thioesterase reveals the function of an operon crucial for Mtb virulence.
Chem.Biol., 14, 2007
3FNH
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BU of 3fnh by Molmil
Crystal structure of InhA bound to triclosan derivative
分子名称: 2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Wang, F.
登録日2008-12-24
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Triclosan Derivatives: Towards Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis.
Chemmedchem, 4, 2009
3FNE
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BU of 3fne by Molmil
Crystal structure of InhA bound to triclosan derivative 17
分子名称: 2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Wang, F.
登録日2008-12-24
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Triclosan Derivatives: Towards Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis.
Chemmedchem, 4, 2009
3FNF
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Crystal structure of InhA bound to triclosan derivative
分子名称: 5-benzyl-2-(2,4-dichlorophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Wang, F.
登録日2008-12-24
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Triclosan Derivatives: Towards Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis.
Chemmedchem, 4, 2009
3FNG
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Crystal structure of InhA bound to triclosan derivative
分子名称: 5-(cyclohexylmethyl)-2-(2,4-dichlorophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Wang, F.
登録日2008-12-24
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Triclosan Derivatives: Towards Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis.
Chemmedchem, 4, 2009

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