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8TR1
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BU of 8tr1 by Molmil
Crystal structure of trypanosome brucei hypoxanthine guanine phosphopribosyltransferase in complex with [2S,4R]-4-Guanin-9-yl-2-(2- phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
分子名称: (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase
著者Guddat, L.W.
登録日2023-08-09
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8TPV
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BU of 8tpv by Molmil
Structure of human hypoxanthine guanine phosphoribzosyltransferase in complex with [2S,4R]-4-Guanin-9-yl-2-(2-phosphonoethoxymethyl)-1-N-(3-phosphonopropionyl)pyrrolidine
分子名称: (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
著者Guddat, L.W.
登録日2023-08-05
公開日2024-05-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Development of Prolinol Containing Inhibitors of Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase: Rational Structure-Based Drug Design.
J.Med.Chem., 67, 2024
6BD3
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BU of 6bd3 by Molmil
Saccharomyces cerevisiae acetohydroxyacid synthase
分子名称: 2-ACETYL-THIAMINE DIPHOSPHATE, ACETATE ION, Acetolactate synthase catalytic subunit, ...
著者Guddat, L.W, Lonhienne, T.
登録日2017-10-21
公開日2017-11-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism
Chemistryselect, 2017
6BO7
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BU of 6bo7 by Molmil
Crystal structure of Plasmodium vivax hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine
分子名称: Hypoxanthine 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Guddat, L.W, Keough, D.T, Rejman, D.
登録日2017-11-18
公開日2017-12-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.856 Å)
主引用文献Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics.
ACS Chem. Biol., 13, 2018
6BD9
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BU of 6bd9 by Molmil
Saccharomyces cerevisiae acetohydroxyacid synthase
分子名称: Acetolactate synthase catalytic subunit, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Guddat, L.W, Lonhienne, T.
登録日2017-10-22
公開日2017-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism
Chemistryselect, 2017
5WJ1
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BU of 5wj1 by Molmil
Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam
分子名称: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide, Acetolactate synthase, ...
著者Garcia, M.D, Lonhienne, T, Guddat, L.W.
登録日2017-07-21
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Structural insights into the mechanism of inhibition of AHAS by herbicides.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7EIZ
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BU of 7eiz by Molmil
Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading
分子名称: Helicase, MAGNESIUM ION, Non-structural protein 10, ...
著者Yan, L, Yang, Y.X, Li, M.Y, Zhang, Y, Zheng, L.T, Ge, J, Huang, Y.C, Liu, Z.Y, Wang, T, Gao, S, Zhang, R, Huang, Y.Y, Guddat, L.W, Gao, Y, Rao, Z.H, Lou, Z.Y.
登録日2021-04-01
公開日2021-09-22
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY
主引用文献Coupling of N7-methyltransferase and 3'-5' exoribonuclease with SARS-CoV-2 polymerase reveals mechanisms for capping and proofreading
Cell, 184, 2021
6VO2
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BU of 6vo2 by Molmil
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg, NADPH and inhibitor.
分子名称: 3-(methylsulfonyl)-2-oxopropanoic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ...
著者Bayaraa, T, Patel, K.M, Guddat, L.W.
登録日2020-01-29
公開日2020-04-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Discovery, Synthesis and Evaluation of a Ketol-Acid Reductoisomerase Inhibitor.
Chemistry, 26, 2020
6VJ7
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BU of 6vj7 by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine 5'-(beta,gamma imido)triphosphate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Feder, D, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S.
登録日2020-01-15
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops.
Plant Sci., 294, 2020
3D65
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BU of 3d65 by Molmil
Crystal structure of Textilinin-1, a Kunitz-type serine protease inhibitor from the Australian Common Brown snake venom, in complex with trypsin
分子名称: CALCIUM ION, Cationic trypsin, Textilinin
著者Millers, E.-K.I, Masci, P.P, Lavin, M.F, de Jersey, J, Guddat, L.W.
登録日2008-05-19
公開日2009-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of Textilinin-1, a Kunitz-type serine protease inhibitor from the Australian Common Brown snake venom, in complex with trypsin
To be Published
6PY9
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BU of 6py9 by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine diphosphate metavanadate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADP METAVANADATE, ...
著者Feder, D, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S.
登録日2019-07-29
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops.
Plant Sci., 294, 2020
4YPO
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BU of 4ypo by Molmil
Crystal structure of Mycobacterium tuberculosis ketol-acid reductoisomerase in complex with Mg2+
分子名称: CHLORIDE ION, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
著者Lv, Y, Guddat, L.W.
登録日2015-03-13
公開日2016-02-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.001 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis ketol-acid reductoisomerase at 1.0 angstrom resolution - a potential target for anti-tuberculosis drug discovery.
Febs J., 283, 2016
3BYB
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BU of 3byb by Molmil
Crystal structure of Textilinin-1, a Kunitz-type serine protease inhibitor from the Australian Common Brown snake venom
分子名称: 2-ETHOXYETHANOL, SULFATE ION, Textilinin
著者Millers, E.K, Guddat, L.W.
登録日2008-01-15
公開日2009-01-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of textilinin-1, a Kunitz-type serine protease inhibitor from the venom of the Australian common brown snake (Pseudonaja textilis).
Febs J., 276, 2009
3D03
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BU of 3d03 by Molmil
1.9A structure of Glycerophoshphodiesterase (GpdQ) from Enterobacter aerogenes
分子名称: COBALT (II) ION, Phosphohydrolase
著者Hadler, K.S, Tanifum, E, Yip, S.H.-C, Miti, N, Guddat, L.W, Jackson, C.J, Gahan, L.R, Carr, P.D, Nguyen, K, Ollis, D.L, Hengge, A.C, Larrabee, J.A, Schenk, G.
登録日2008-04-30
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate-promoted formation of a catalytically competent binuclear center and regulation of reactivity in a glycerophosphodiesterase from Enterobacter aerogenes.
J.Am.Chem.Soc., 130, 2008
8BRN
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BU of 8brn by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with an alpha-aminonaphthylmethylphosphonic acid inhibitor
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Feder, D, Hussein, W.M, Guddat, L.W, Schenk, G.
登録日2022-11-23
公開日2023-08-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of an alpha-aminonaphthylmethylphosphonic acid inhibitor of purple acid phosphatase using rational structure-based design approaches.
Eur.J.Med.Chem., 254, 2023
7OV3
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BU of 7ov3 by Molmil
Crystal structure of pig purple acid phosphatase in complex with Maybridge fragment CC063346, dimethyl sulfoxide and citrate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G.
登録日2021-06-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
7OV2
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BU of 7ov2 by Molmil
Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, FE (III) ION, ...
著者Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G.
登録日2021-06-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
7OV8
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BU of 7ov8 by Molmil
Crystal structure of pig purple acid phosphatase in complex with 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) and glycerol
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G.
登録日2021-06-14
公開日2022-03-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
5W3K
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BU of 5w3k by Molmil
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, Mg2+ and CPD
分子名称: Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Patel, K.M, Teran, D, Zheng, S, Kandale, A, Schembri, M, McGeary, R.P, Schenk, G, Guddat, L.W.
登録日2017-06-08
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.589 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
6HWR
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BU of 6hwr by Molmil
Red kidney bean purple acid phosphatase in complex with adenosine divanadate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Feder, D, Gahan, L.R, McGeary, R.P, Guddat, L.W, Schenk, G.
登録日2018-10-13
公開日2019-04-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Binding Mode of an ADP Analogue to a Metallohydrolase Mimics the Likely Transition State.
Chembiochem, 20, 2019
8EJ0
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BU of 8ej0 by Molmil
Crystal structure of Fe-S cluster-dependent dehydratase from Paralcaligenes ureilyticus in complex with Mg
分子名称: BICARBONATE ION, CARBON DIOXIDE, Dihydroxyacid dehydratase, ...
著者Bayaraa, T, Lonhienne, T, Guddat, L.W.
登録日2022-09-16
公開日2023-08-30
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural and Functional Insight into the Mechanism of the Fe-S Cluster-Dependent Dehydratase from Paralcaligenes ureilyticus.
Chemistry, 29, 2023
8CY8
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BU of 8cy8 by Molmil
apo form Cryo-EM structure of Campylobacter jejune ketol-acid reductoisommerase crosslinked by Glutaraldehyde
分子名称: Ketol-acid reductoisomerase (NADP(+)), PENTANEDIAL
著者Zheng, S, Guddat, L.W.
登録日2022-05-23
公開日2023-02-01
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Enhancing the Thermal and Kinetic Stability of Ketol-Acid Reductoisomerase, a Central Catalyst of a Cell-Free Enzyme Cascade for the Manufacture of Platform Chemicals
Appl Biosci, 2022
8EPZ
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BU of 8epz by Molmil
Crystal structure of Fe-S cluster-dependent dehydratase from Paralcaligenes ureilyticus in complex with Mn
分子名称: BICARBONATE ION, CARBON DIOXIDE, Dihydroxyacid dehydratase, ...
著者Bayaraa, T, Lonhienne, T, Guddat, L.W.
登録日2022-10-07
公開日2023-02-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Fe-S cluster-dependent dehydratase from Paralcaligenes ureilyticus in complex with Mg
To Be Published
3OOD
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BU of 3ood by Molmil
Structure of OpdA Y257F mutant soaked with diethyl 4-methoxyphenyl phosphate for 20 hours.
分子名称: COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, Phosphotriesterase
著者Ely, F, Guddat, L.W, Ollis, D.L, Schenk, G.
登録日2010-08-31
公開日2011-11-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The organophosphate-degrading enzyme from Agrobacterium radiobacter displays mechanistic flexibility for catalysis.
Biochem.J., 432, 2010
3OQE
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BU of 3oqe by Molmil
Structure of OpdA mutant Y257F
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, Phosphotriesterase
著者Ely, F, Guddat, L.W, Ollis, D.L, Schenk, G.
登録日2010-09-02
公開日2011-11-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The organophosphate-degrading enzyme from Agrobacterium radiobacter displays mechanistic flexibility for catalysis.
Biochem.J., 432, 2010

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