4D41
| Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(4-nitrophenoxy)phenol | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5-HEXYL-2-(4-NITROPHENOXY)PHENOL, ... | 著者 | Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | 登録日 | 2014-10-26 | 公開日 | 2015-03-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry, 54, 2015
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4CV1
| Crystal structure of S. aureus FabI in complex with NADPH and CG400549 | 分子名称: | 1,2-ETHANEDIOL, 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one, CHLORIDE ION, ... | 著者 | Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | 登録日 | 2014-03-22 | 公開日 | 2014-04-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor. J.Biol.Chem., 289, 2014
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4CV2
| Crystal structure of E. coli FabI in complex with NADH and CG400549 | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | 著者 | Tareilus, M, Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | 登録日 | 2014-03-22 | 公開日 | 2014-04-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor. J.Biol.Chem., 289, 2014
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4D45
| Crystal structure of S. aureus FabI in complex with NADP and 5-bromo- 2-(4-chloro-2-hydroxyphenoxy)benzonitrile | 分子名称: | 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | 著者 | Tareilus, M, Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | 登録日 | 2014-10-26 | 公開日 | 2015-03-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry, 54, 2015
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4D43
| Crystal structure of S. aureus FabI in complex with NADP and 2-(2- chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(2-chloro-4-nitrophenoxy)-5-ethyl-4-fluorophenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ... | 著者 | Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | 登録日 | 2014-10-26 | 公開日 | 2015-03-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry, 54, 2015
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5JAQ
| Yersinia pestis FabV variant T276C | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | 登録日 | 2016-04-12 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase. Biochemistry, 55, 2016
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6W6Z
| BlsA ground state | 分子名称: | BLUF domain-containing protein, FLAVIN MONONUCLEOTIDE | 著者 | Chitrakar, I, French, J.B. | 登録日 | 2020-03-18 | 公開日 | 2020-10-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | Structural Basis for the Regulation of Biofilm Formation and Iron Uptake in A. baumannii by the Blue-Light-Using Photoreceptor, BlsA. Acs Infect Dis., 6, 2020
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6W72
| BlsA photo-activated state | 分子名称: | BLUF domain-containing protein, FLAVIN MONONUCLEOTIDE | 著者 | Chitrakar, I, French, J.B. | 登録日 | 2020-03-18 | 公開日 | 2020-10-07 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural Basis for the Regulation of Biofilm Formation and Iron Uptake in A. baumannii by the Blue-Light-Using Photoreceptor, BlsA. Acs Infect Dis., 6, 2020
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3ZU3
| Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH (MR, cleaved Histag) | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ... | 著者 | Hirschbeck, M.W, Kuper, J, Kisker, C. | 登録日 | 2011-07-13 | 公開日 | 2012-01-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | 主引用文献 | Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors Structure, 20, 2012
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3ZU2
| Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH (SIRAS) | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, SODIUM ION | 著者 | Hirschbeck, M.W, Kuper, J, Kisker, C. | 登録日 | 2011-07-13 | 公開日 | 2012-01-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors Structure, 20, 2012
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4ALN
| Crystal structure of S. aureus FabI (P32) | 分子名称: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH] | 著者 | Schiebel, J, Kisker, C. | 登録日 | 2012-03-04 | 公開日 | 2012-05-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality Structure, 20, 2012
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4ALM
| Crystal structure of S. aureus FabI (P43212) | 分子名称: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], SULFATE ION | 著者 | Schiebel, J, Kisker, C. | 登録日 | 2012-03-04 | 公開日 | 2012-05-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Staphylococcus Aureus Fabi: Inhibition, Substrate Recognition and Potential Implications for in Vivo Essentiality Structure, 20, 2012
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3T8B
| Crystal structure of Mycobacterium tuberculosis MenB with altered hexameric assembly | 分子名称: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, GLYCEROL | 著者 | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | 登録日 | 2011-08-01 | 公開日 | 2011-08-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.649 Å) | 主引用文献 | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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3T88
| Crystal structure of Escherichia coli MenB in complex with substrate analogue, OSB-NCoA | 分子名称: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, CHLORIDE ION, GLYCEROL, ... | 著者 | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | 登録日 | 2011-08-01 | 公開日 | 2011-08-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | 主引用文献 | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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3T8A
| Crystal structure of Mycobacterium tuberculosis MenB in complex with substrate analogue, OSB-NCoA | 分子名称: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, o-succinylbenzoyl-N-coenzyme A | 著者 | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | 登録日 | 2011-08-01 | 公開日 | 2011-08-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.245 Å) | 主引用文献 | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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3T89
| Crystal structure of Escherichia coli MenB, the 1,4-dihydroxy-2-naphthoyl-CoA synthase in vitamin K2 biosynthesis | 分子名称: | 1,4-Dihydroxy-2-naphthoyl-CoA synthase, GLYCEROL, MALONATE ION | 著者 | Li, H.-J, Li, X, Liu, N, Zhang, H, Truglio, J, Mishra, S, Kisker, C, Garcia-Diaz, M, Tonge, P. | 登録日 | 2011-08-01 | 公開日 | 2011-08-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | 主引用文献 | Mechanism of the Intramolecular Claisen Condensation Reaction Catalyzed by MenB, a Crotonase Superfamily Member. Biochemistry, 50, 2011
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5VRN
| CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333. | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | 著者 | Abendroth, J, Edwards, T.E, Lorimer, D. | 登録日 | 2017-05-11 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA. Life Sci Alliance, 1, 2018
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5VRM
| CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333. | 分子名称: | Enoyl-[acyl-carrier-protein] reductase [NADH], [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | 著者 | Abendroth, J, Edwards, T.E, Lorimer, D. | 登録日 | 2017-05-11 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA. Life Sci Alliance, 1, 2018
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5VRL
| CRYSTAL STRUCTURE OF THE INHA FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH AN12855, EBSI 4333. | 分子名称: | (~{N}~{E})-~{N}-[[2-[[2-ethylsulfonyl-1,1-bis(oxidanyl)-3,4-dihydro-2,3,1$l^{4}-benzodiazaborinin-7-yl]oxy]-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine, Enoyl-[acyl-carrier-protein] reductase [NADH] | 著者 | Abendroth, J, Edwards, T.E, Lorimer, D. | 登録日 | 2017-05-11 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery of a cofactor-independent inhibitor ofMycobacterium tuberculosisInhA. Life Sci Alliance, 1, 2018
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2WGF
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2WGG
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2WGD
| Crystal structure of KasA of Mycobacterium tuberculosis | 分子名称: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, GLYCEROL, ISOPROPYL ALCOHOL, ... | 著者 | Luckner, S.R, Kisker, C. | 登録日 | 2009-04-17 | 公開日 | 2009-07-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Crystal Structures of Mycobacterium Tuberculosis Kasa Show Mode of Action within Cell Wall Biosynthesis and its Inhibition by Thiolactomycin Structure, 17, 2009
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2WGE
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5G2O
| Yersinia pestis FabV variant T276A | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | 登録日 | 2016-04-11 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. Biochemistry, 55, 2016
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5JAI
| Yersinia pestis FabV variant T276G | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | 著者 | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | 登録日 | 2016-04-12 | 公開日 | 2016-05-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase. Biochemistry, 55, 2016
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