4D46
 
 | | Crystal structure of E. coli FabI in complex with NAD 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 [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 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 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
|
|
4D42
 | | Crystal structure of S. aureus FabI in complex with NADP and 4-fluoro- 5-hexyl-2-phenoxyphenol | | 分子名称: | 4-fluoro-5-hexyl-2-phenoxyphenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | 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 (2.02 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
|
|
4D44
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-ethyl- 4-fluoro-2-((2-fluoropyridin-3-yl)oxy)phenol | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol, 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 (1.8 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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
4BKO
 | | Enoyl-ACP reducatase FabV from Burkholderia pseudomallei (apo) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PUTATIVE REDUCTASE BURPS305_1051, ... | | 著者 | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | | 登録日 | 2013-04-29 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Point Mutation Changes Substrate Binding Mechanism and Inhibitor Specificity of Yersinia Pestis Enoyl- Acp Reductase Fabv
To be Published
|
|
4CV0
 | | Crystal structure of S. aureus FabI in complex with NADPH and CG400549 (small unit cell) | | 分子名称: | 1,2-ETHANEDIOL, 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ... | | 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 (2.2 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
|
|
4BKQ
 | | Enoyl-ACP reductase from Yersinia pestis (wildtype)with cofactor NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPZ3_3519 | | 著者 | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | | 登録日 | 2013-04-29 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 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
|
|
4CUZ
 | | Crystal structure of S. aureus FabI in complex with NADPH and PT173 | | 分子名称: | 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one, ENOYL-ACP REDUCTASE MOLECULE ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 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 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.1 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
|
|
4CV3
 | | Crystal structure of E. coli FabI in complex with NADH and PT166 | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | | 著者 | Eltschkner, S, 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
|
|
4BKU
 | | Enoyl-ACP reductase FabI from Burkholderia pseudomallei with cofactor NADH and inhibitor PT155 | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | | 著者 | Hirschbeck, M.W, Liu, N, Neckles, C, Tonge, P.J, Kisker, C. | | 登録日 | 2013-04-29 | | 公開日 | 2014-04-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.841 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
|
|
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
|
|
4BKR
 | | Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | | 登録日 | 2013-04-29 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.798 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
|
|
4BNF
 | | Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol | | 分子名称: | 2-phenoxy-5-propyl-phenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | 著者 | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | 登録日 | 2013-05-15 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
|
|
4C71
 | | Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18 | | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE, 1,2-ETHANEDIOL, ... | | 著者 | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | | 登録日 | 2013-09-19 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
|
|
4BNK
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-fluoro- 2-phenoxyphenol | | 分子名称: | 5-fluoro-2-phenoxyphenol, CHLORIDE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ... | | 著者 | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | 登録日 | 2013-05-15 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
|
|
4BNM
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(2-methylphenoxy)phenol | | 分子名称: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | 著者 | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | 登録日 | 2013-05-15 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
|
|
4C6V
 | | Crystal structure of M. tuberculosis KasA in complex with TLM5 (Soak for 5 min) | | 分子名称: | (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ... | | 著者 | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | | 登録日 | 2013-09-19 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
|
|
4BNJ
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-methyl- 2-phenoxyphenol | | 分子名称: | 5-methyl-2-phenoxyphenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | 著者 | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | 登録日 | 2013-05-15 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
|
|
4BNN
 | | Crystal structure of S. aureus FabI in complex with NADP and 2-(2- cyanophenoxy)-5-hexylphenol | | 分子名称: | 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | 著者 | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | 登録日 | 2013-05-15 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
|
|
4C6X
 | | Crystal structure of M. tuberculosis C171Q KasA in complex with thiolactomycin (TLM) | | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ... | | 著者 | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | | 登録日 | 2013-09-19 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
|
|
4C73
 | | Crystal structure of M. tuberculosis C171Q KasA in complex with TLM6 | | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one, 1,2-ETHANEDIOL, ... | | 著者 | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | | 登録日 | 2013-09-19 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
|
|
4C72
 | | Crystal structure of M. tuberculosis C171Q KasA in complex with TLM5 | | 分子名称: | (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, ... | | 著者 | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | | 登録日 | 2013-09-19 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
|
|
