1YI1
| Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide, Tribenuron methyl | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ETHYL DIHYDROGEN DIPHOSPHATE, ... | 著者 | McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G. | 登録日 | 2005-01-10 | 公開日 | 2006-01-17 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase Proc.Natl.Acad.Sci.Usa, 103, 2006
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1YRL
| Escherichia coli ketol-acid reductoisomerase | 分子名称: | Ketol-acid reductoisomerase, SULFATE ION | 著者 | Tyagi, R, Duquerroy, S, Navaza, J, Guddat, L.W, Duggleby, R.G. | 登録日 | 2005-02-04 | 公開日 | 2005-10-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The crystal structure of a bacterial class II ketol-acid reductoisomerase: domain conservation and evolution Protein Sci., 14, 2005
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4RAC
| Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid | 著者 | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | 登録日 | 2014-09-10 | 公開日 | 2015-01-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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4RAN
| Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their pro-drugs as antimalarial agents | 分子名称: | (2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](3-aminopropyl)amino}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | 著者 | Keough, D.T, Hockova, D, Janeba, Z, Wang, T.-H, Naesens, L, Edstein, M.D, Chavchich, M, Guddat, L.W. | 登録日 | 2014-09-10 | 公開日 | 2015-01-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.549 Å) | 主引用文献 | Aza-acyclic Nucleoside Phosphonates Containing a Second Phosphonate Group As Inhibitors of the Human, Plasmodium falciparum and vivax 6-Oxopurine Phosphoribosyltransferases and Their Prodrugs As Antimalarial Agents. J.Med.Chem., 58, 2015
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1Z7G
| Free human HGPRT | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase | 著者 | Keough, D.T, Brereton, I.M, de Jersey, J, Guddat, L.W. | 登録日 | 2005-03-24 | 公開日 | 2005-08-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Crystal Structure of Free Human Hypoxanthine-guanine Phosphoribosyltransferase Reveals Extensive Conformational Plasticity Throughout the Catalytic Cycle J.Mol.Biol., 351, 2005
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8UAR
| Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 4b | 分子名称: | 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | 著者 | Wilson, L.A, Schenk, G, Guddat, L.W, Scott, C. | 登録日 | 2023-09-22 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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8UAT
| Thermus scotoductus SA-01 Ene-reductase Compound 3b Complex | 分子名称: | 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | 著者 | Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C. | 登録日 | 2023-09-22 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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8UAS
| Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 1a | 分子名称: | 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | 著者 | Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C. | 登録日 | 2023-09-22 | 公開日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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6AQJ
| Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Ketol-acid reductoisomerase (NADP(+)), ... | 著者 | Patel, K.M, Teran, D, Zheng, S, Gracia, M, Lv, Y, Schembri, M.A, McGeary, R.P, Schenk, G, Guddat, L.W. | 登録日 | 2017-08-20 | 公開日 | 2017-10-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.373 Å) | 主引用文献 | Crystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity. Chemistry, 23, 2017
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6BNJ
| Human hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((R)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine | 分子名称: | (3-{(3R,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-[(2R)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy l)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | 著者 | Keough, D.T, Rejman, D, Guddat, L.W. | 登録日 | 2017-11-16 | 公開日 | 2017-12-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.909 Å) | 主引用文献 | Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics. ACS Chem. Biol., 13, 2018
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6BUL
| Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2 | 分子名称: | Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schembri, M.A, McFeary, R.P. | 登録日 | 2017-12-10 | 公開日 | 2018-12-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductoisomerase (KARI) inhibitors To Be Published
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5K6Q
| Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase catalytic subunit | 分子名称: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... | 著者 | Garcia, M.D, Wang, J.-G, Lonhienne, T, Guddat, L.W. | 登録日 | 2016-05-25 | 公開日 | 2017-05-31 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.952 Å) | 主引用文献 | Crystal structure of plant acetohydroxyacid synthase, the target for several commercial herbicides. FEBS J., 284, 2017
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5K6R
| Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, thiencarbazone-methyl | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ... | 著者 | Garcia, M.D, Lonhienne, T, Guddat, L.W. | 登録日 | 2016-05-25 | 公開日 | 2017-02-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.734 Å) | 主引用文献 | Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5K6T
| Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, propoxycarbazone-sodium | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ... | 著者 | Garcia, M.D, Lonhienne, T, Guddat, L.W. | 登録日 | 2016-05-25 | 公開日 | 2017-02-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.763 Å) | 主引用文献 | Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5K2O
| Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, pyrithiobac | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid, Acetolactate synthase, ... | 著者 | Garcia, M.D, Lonhienne, T, Guddat, L.W. | 登録日 | 2016-05-19 | 公開日 | 2017-02-08 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.873 Å) | 主引用文献 | Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5K3S
| Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, bispyribac-sodium | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid, Acetolactate synthase, ... | 著者 | Garcia, M.D, Lonhienne, T, Guddat, L.W. | 登録日 | 2016-05-19 | 公開日 | 2017-02-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.873 Å) | 主引用文献 | Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6C5N
| Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1 | 分子名称: | (cyclopentylamino)(oxo)acetic acid, IMIDAZOLE, Ketol-acid reductoisomerase (NADP(+)), ... | 著者 | Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schembri, M.A, McGeary, R.P. | 登録日 | 2018-01-16 | 公開日 | 2019-01-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.673 Å) | 主引用文献 | Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductosiomerase (KARI) inhibitor To Be Published
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6C55
| Crystal structure of Staphylococcus aureus Ketol-acid Reductosimerrase with hydroxyoxamate inhibitor 3 | 分子名称: | (cyclohexylamino)(oxo)acetic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ... | 著者 | Kandale, A, Patel, K.M, Zheng, S, You, L, Guddat, L.W, Schenk, G, Schmbri, M, McGeary, R.P. | 登録日 | 2018-01-14 | 公開日 | 2019-01-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Design, synthesis, in vitro activity and crystallisation of novel N-isopropyl-N-hydroxyoxamate derivatives as ketol-acid reductoisomerase (KARI) inhibitors To Be Published
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5KNX
| Crystal structure of E. coli hypoxanthine phosphoribosyltransferase in complexed with {[(2-[(Hypoxanthin-9H-yl)methyl]propane-1,3-diyl)bis(oxy)]bis- (methylene)}diphosphonic Acid | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [2-[(6-oxidanylidene-1~{H}-purin-9-yl)methyl]-3-(phosphonomethoxy)propoxy]methylphosphonic acid | 著者 | Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z, Guddat, L.W. | 登録日 | 2016-06-28 | 公開日 | 2017-07-19 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase Chemistryselect, 1, 2016
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5KNQ
| Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with [3S,4R]-(4-(Guanin-9-yl)pyrrolidin-3-yl)oxymethanephosphonic acid and pyrophosphate | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | 著者 | Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. | 登録日 | 2016-06-28 | 公開日 | 2017-09-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.553 Å) | 主引用文献 | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate To Be Published
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5KNY
| Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with (3-((3R,4R)-3-(Guanin-9-yl)-4-((S)-2-hydroxy-2-phosphonoethoxy)pyrrolidin-1-yl)-3-oxopropyl)phosphonic acid | 分子名称: | Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid | 著者 | Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W. | 登録日 | 2016-06-28 | 公開日 | 2017-09-20 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate To Be Published
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6DEL
| Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide chlorimuron ethyl | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, ... | 著者 | Garcia, M.D, Guddat, L.W. | 登録日 | 2018-05-12 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.119 Å) | 主引用文献 | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DES
| Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide propoxycarbazone | 分子名称: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Garcia, M.D, Guddat, L.W. | 登録日 | 2018-05-12 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | 主引用文献 | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DEP
| Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide sulfometuron methyl | 分子名称: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ... | 著者 | Garcia, M.D, Guddat, L.W. | 登録日 | 2018-05-12 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.149 Å) | 主引用文献 | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1JSC
| Crystal Structure of the Catalytic Subunit of Yeast Acetohydroxyacid Synthase: A target for Herbicidal Inhibitors | 分子名称: | ACETOHYDROXY-ACID SYNTHASE, DIHYDROGENPHOSPHATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Pang, S.S, Duggleby, R.G, Guddat, L.W. | 登録日 | 2001-08-17 | 公開日 | 2002-01-16 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of yeast acetohydroxyacid synthase: a target for herbicidal inhibitors. J.Mol.Biol., 317, 2002
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