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4JLS
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BU of 4jls by Molmil
Crystal Structure of E. coli XGPRT in complex with (3R,4S)-4-(Guanin-9-yl)-3-hydroxypyrrolidin-1-N-ylacetylphosphonic acid
分子名称: Xanthine phosphoribosyltransferase, {2-[(3S,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxypyrrolidin-1-yl]-2-oxoethyl}phosphonic acid
著者Keough, D.T, Hockova, D, Rejman, D, Spacek, P, Vrbkova, S, Krecmerova, M, Eng, W.S, Jans, H, West, N.P, Naesens, L.M.J, de Jersey, J, Guddat, L.W.
登録日2013-03-12
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibition of the Escherichia coli 6-oxopurine phosphoribosyltransferases by nucleoside phosphonates: potential for new antibacterial agents.
J.Med.Chem., 56, 2013
1YBH
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Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide Chlorimuron Ethyl
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, Acetolactate synthase, ...
著者McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G.
登録日2004-12-20
公開日2006-01-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase
Proc.Natl.Acad.Sci.Usa, 103, 2006
1YI1
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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
1YI0
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Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide, Sulfometuron 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2024-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase
Proc.Natl.Acad.Sci.Usa, 103, 2006
1XZW
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Sweet potato purple acid phosphatase/phosphate complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, ...
著者Schenk, G, Carrington, L.E, Gahan, L.R, Hamilton, S.E, de Jersey, J, Guddat, L.W.
登録日2004-11-12
公開日2004-12-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Phosphate forms an unusual tripodal complex with the Fe-Mn center of sweet potato purple acid phosphatase
Proc.Natl.Acad.Sci.USA, 102, 2005
1DQL
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CRYSTAL STRUCTURE OF AN UNLIGANDED (NATIVE) FV FROM A HUMAN IGM ANTI-PEPTIDE ANTIBODY
分子名称: IGM MEZ IMMUNOGLOBULIN
著者Ramsland, P.A, Shan, L, Moomaw, C.R, Slaughter, C.A, Guddat, L.W, Edmundson, A.B.
登録日2000-01-04
公開日2000-10-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献An unusual human IgM antibody with a protruding HCDR3 and high avidity for its peptide ligands.
Mol.Immunol., 37, 2000
1T9D
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Crystal Structure Of Yeast Acetohydroxyacid Synthase In Complex With A Sulfonylurea Herbicide, Metsulfuron methyl
分子名称: 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE, Acetolactate synthase, mitochondrial, ...
著者McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G.
登録日2004-05-16
公開日2004-12-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase.
Biochemistry, 44, 2005
1T9B
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Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron
分子名称: 1-(2-CHLOROPHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-L,3,5-TRIAZIN-2-YL)UREA, 2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL, 5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE, ...
著者McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G.
登録日2004-05-16
公開日2004-12-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase.
Biochemistry, 44, 2005
1T9A
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Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl
分子名称: 2-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}PROPANE-1-THIOL, 5-{[ETHYL(METHYL)AMINO]METHYL}-2-METHYL-5,6-DIHYDROPYRIMIDIN-4-AMINE, Acetolactate synthase, ...
著者McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G.
登録日2004-05-16
公開日2004-12-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase.
Biochemistry, 44, 2005
1T9C
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Crystal Structure Of Yeast Acetohydroxyacid Synthase In Complex With A Sulfonylurea Herbicide, Sulfometuron methyl
分子名称: Acetolactate synthase, mitochondrial, ETHYL DIHYDROGEN DIPHOSPHATE, ...
著者McCourt, J.A, Pang, S.S, Guddat, L.W, Duggleby, R.G.
登録日2004-05-16
公開日2004-12-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Elucidating the specificity of binding of sulfonylurea herbicides to acetohydroxyacid synthase.
Biochemistry, 44, 2005
1PEN
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ALPHA-CONOTOXIN PNI1
分子名称: ALPHA-CONOTOXIN PNIA
著者Hu, S.-H, Gehrmann, J, Guddat, L.W, Alewood, P.F, Craik, D.J, Martin, J.L.
登録日1996-01-29
公開日1997-04-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The 1.1 A crystal structure of the neuronal acetylcholine receptor antagonist, alpha-conotoxin PnIA from Conus pennaceus.
Structure, 4, 1996
9C85
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Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with 2022-LS5
分子名称: 2-(3-fluoropropoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
著者Gao, Y, Guddat, L.W.
登録日2024-06-12
公開日2025-06-18
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with 2022-LS5
To Be Published
9BAG
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BU of 9bag by Molmil
Crystal structure of Oryza sativa ketol-acid reductoisomerase in complex with Mg2+, and JK-5-114
分子名称: 6-hydroxy-2-phenyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, Ketol-acid reductoisomerase, chloroplastic, ...
著者Lin, X, Guddat, L.W.
登録日2024-04-04
公開日2025-04-09
最終更新日2025-07-09
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A Ketol-Acid Reductoisomerase Inhibitor That Has Antituberculosis and Herbicidal Activity.
Chemistry, 31, 2025
9BAE
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Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+, and JK-5-115
分子名称: 6-hydroxy-2-phenyl[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION
著者Kurz, J.L, Lin, X, Guddat, L.W.
登録日2024-04-03
公開日2025-04-09
最終更新日2025-07-09
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献A Ketol-Acid Reductoisomerase Inhibitor That Has Antituberculosis and Herbicidal Activity.
Chemistry, 31, 2025
9C4P
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Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with commercial herbicide triasulfuron
分子名称: 2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzene-1-sulfonamide, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
著者Cheng, Y, Guddat, L.W.
登録日2024-06-05
公開日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of Arabidopsis thaliana Acetohydroxyacid Synthase in Complex with the Herbicide Triasulfuron and Two Analogues with Herbicidal Activity in Field Trials.
J.Agric.Food Chem., 2024
9C4R
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Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with newly designed herbicide CMO
分子名称: 2-(2-chloroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
著者Cheng, Y, Guddat, L.W.
登録日2024-06-05
公開日2024-10-23
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Crystal Structures of Arabidopsis thaliana Acetohydroxyacid Synthase in Complex with the Herbicide Triasulfuron and Two Analogues with Herbicidal Activity in Field Trials.
J.Agric.Food Chem., 2024
9C4Q
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Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with newly designed herbicide FMO
分子名称: 2-(2-fluoroethoxy)-N-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]benzene-1-sulfonamide, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
著者Cheng, Y, Guddat, L.W.
登録日2024-06-05
公開日2024-10-23
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Crystal Structures of Arabidopsis thaliana Acetohydroxyacid Synthase in Complex with the Herbicide Triasulfuron and Two Analogues with Herbicidal Activity in Field Trials.
J.Agric.Food Chem., 2024
8SXD
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BU of 8sxd by Molmil
Campylobacter jejuni keto-acid reductoisomerase in complex with intermediate and NADP+
分子名称: 3-hydroxy-3-methyl-2-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase, ...
著者Lin, X, Lonhienne, T, Guddat, L.W.
登録日2023-05-21
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8SWM
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Crystal structure of Campylobacter jejuni ketol-acid reductoisomerase in complex with 2-acetolactate
分子名称: (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase (NADP(+)), ...
著者Lin, X, Lonhienne, T, Guddat, L.W.
登録日2023-05-19
公開日2024-04-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8UPP
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Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and Hoe704
分子名称: (2R)-(dimethylphosphoryl)(hydroxy)acetic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
著者Lin, X, Lv, Y, Lonhienne, T, Guddat, L.W.
登録日2023-10-23
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8UPN
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Campylobacter jejuni ketol-acid reductoisomerase in complex with NADP+ and HMKB
分子名称: 3-hydroxy-3-methyl-2-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase, ...
著者Lin, X, Lonhienne, T, Guddat, L.W.
登録日2023-10-23
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8UPQ
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Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3-dihydroxy-3-isovalerate.
分子名称: (2R)-2,3-dihydroxy-3-methylbutanoic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION
著者Lin, X, Lonhienne, T, Guddat, L.W.
登録日2023-10-23
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
4RAQ
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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-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-phosphonoethyl)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 (2.53 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
4RAD
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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-3,6-dihydro-9H-purin-9-yl)ethyl][2-(2-phosphonoethoxy)ethyl]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 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
4RAN
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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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