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1BVR
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BU of 1bvr by Molmil
M.TB. ENOYL-ACP REDUCTASE (INHA) IN COMPLEX WITH NAD+ AND C16-FATTY-ACYL-SUBSTRATE
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE), TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTEAMINE)-THIOESTER
著者Rozwarski, D.A, Vilcheze, C, Sugantino, M, Bittman, R, Jacobs, W, TB Structural Genomics Consortium (TBSGC)
登録日1998-09-17
公開日1999-09-17
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the Mycobacterium tuberculosis enoyl-ACP reductase, InhA, in complex with NAD+ and a C16 fatty acyl substrate.
J.Biol.Chem., 274, 1999
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
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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BU of 3oew by Molmil
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
2NV6
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BU of 2nv6 by Molmil
Mycobacterium tuberculosis InhA (S94A) bound with INH-NAD adduct
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH, ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
著者Wang, F, Sacchettini, J.C.
登録日2006-11-10
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Transfer of a point mutation in Mycobacterium tuberculosis inhA resolves the target of isoniazid.
NAT.MED. (N.Y.), 12, 2006
5W0C
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BU of 5w0c by Molmil
Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex
分子名称: Cytochrome P450 2C9, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Johnson, E.F, Hsu, M.-H.
登録日2017-05-30
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
5I7N
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BU of 5i7n by Molmil
MaoC-like dehydratase
分子名称: MaoC-like dehydratase
著者Blaise, M.
登録日2016-02-18
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Deletion of a dehydratase important for intracellular growth and cording renders rough Mycobacterium abscessus avirulent.
Proc.Natl.Acad.Sci.USA, 113, 2016
5OEP
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BU of 5oep by Molmil
Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481
分子名称: Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ...
著者Futterer, K, Batt, S.M, Besra, G.S.
登録日2017-07-09
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OEL
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BU of 5oel by Molmil
Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1
分子名称: Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate
著者Futterer, K, Batt, S.M, Besra, G.S.
登録日2017-07-08
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
5OEQ
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BU of 5oeq by Molmil
Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020
分子名称: Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ...
著者Futterer, K, Batt, S.M, Besra, G.S.
登録日2017-07-09
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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
3F4B
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BU of 3f4b by Molmil
Crystal structure of Plasmodium berghei Enoyl-acyl-carrier-protein reductase with TRICLOSAN
分子名称: Enoyl-acyl carrier protein reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Sacchettini, J.C, Tsai, H.-C.
登録日2008-10-31
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献The fatty acid biosynthesis enzyme FabI plays a key role in the development of liver-stage malarial parasites.
Cell Host Microbe, 4, 2008
3FNF
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BU of 3fnf by Molmil
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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BU of 3fng by Molmil
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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