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8UAS
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BU of 8uas by Molmil
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
3A3W
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BU of 3a3w by Molmil
Structure of OpdA mutant (G60A/A80V/S92A/R118Q/K185R/Q206P/D208G/I260T/G273S) with diethyl 4-methoxyphenyl phosphate bound in the active site
分子名称: COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, Phosphotriesterase
著者Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K.
登録日2009-06-23
公開日2010-01-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
3A3X
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BU of 3a3x by Molmil
Structure of OpdA mutant (G60A/A80V/R118Q/K185R/Q206P/D208G/I260T/G273S)
分子名称: COBALT (II) ION, Phosphotriesterase
著者Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K.
登録日2009-06-23
公開日2010-01-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 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
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2024-10-09
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
6DR8
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BU of 6dr8 by Molmil
Metallo-beta-lactamase from Cronobacter sakazakii (Enterobacter sakazakii) HARLDQ motif mutant S60/R118H/Q121H/K254H
分子名称: (2-hydroxyethoxy)acetaldehyde, Beta-lactamase, PHOSPHATE ION, ...
著者Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G.
登録日2018-06-11
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.476 Å)
主引用文献Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 2020
6DN4
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BU of 6dn4 by Molmil
Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif
分子名称: Beta-lactamase
著者Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G.
登録日2018-06-06
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 2020
6DQH
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BU of 6dqh by Molmil
Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif
分子名称: Beta-lactamase, PHOSPHATE ION, ZINC ION
著者Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G.
登録日2018-06-11
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.104 Å)
主引用文献Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 2020
6DQ2
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BU of 6dq2 by Molmil
Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif mutant S60
分子名称: Beta-lactamase, PHOSPHATE ION
著者Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G.
登録日2018-06-10
公開日2019-06-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.158 Å)
主引用文献Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 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
7LUU
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BU of 7luu by Molmil
Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active Site Glutamic Acid
分子名称: GLYCEROL, SULFATE ION, Subclass B3 metallo-beta-lactamase, ...
著者Wilson, L, Knaven, E, Morris, M.T, Schenk, G.
登録日2021-02-23
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active-Site Glutamic Acid.
Antimicrob.Agents Chemother., 65, 2021
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
2QFP
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BU of 2qfp by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with fluoride
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, FLUORIDE ION, ...
著者Guddat, L.W, Schenk, G.S, Gahan, L.R, Elliot, T.W, Leung, E.
登録日2007-06-27
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of a purple acid phosphatase, representing different steps of this enzyme's catalytic cycle.
Bmc Struct.Biol., 8, 2008
5EDF
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BU of 5edf by Molmil
Crystal structure of the selenomethionine-substituted iron-regulated protein FrpD from Neisseria meningitidis
分子名称: AZIDE ION, FrpC operon protein, HEXAETHYLENE GLYCOL, ...
著者Sviridova, E, Bumba, L, Rezacova, P, Sebo, P, Kuta Smatanova, I.
登録日2015-10-21
公開日2017-02-01
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis.
Sci Rep, 7, 2017
5EDJ
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BU of 5edj by Molmil
Crystal structure of the Neisseria meningitidis iron-regulated outer membrane lipoprotein FrpD
分子名称: FrpC operon protein
著者Sviridova, E, Bumba, L, Rezacova, P, Sebo, P, Kuta Smatanova, I.
登録日2015-10-21
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis.
Sci Rep, 7, 2017
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
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
5VEJ
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BU of 5vej by Molmil
High resolution crystal structure of a fluoride-inhibited organo-phosphate-degrading metallohydrolase
分子名称: ACETATE ION, COBALT (II) ION, FLUORIDE ION, ...
著者Selleck, C.
登録日2017-04-04
公開日2017-07-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献High resolution crystal structure of a fluoride-inhibited organophosphate-degrading metallohydrolase.
J. Inorg. Biochem., 177, 2017
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
8ET5
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BU of 8et5 by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase S653T mutant in complex with amidosulfuron
分子名称: 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, Acetolactate synthase, ...
著者Guddat, L.W, Cheng, Y.
登録日2022-10-16
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Crystal Structure of the Commercial Herbicide, Amidosulfuron, in Complex with Arabidopsis thaliana Acetohydroxyacid Synthase.
J.Agric.Food Chem., 71, 2023
8ET4
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BU of 8et4 by Molmil
Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with amidosulfuron
分子名称: 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, Acetolactate synthase, ...
著者Guddat, L.W, Cheng, Y.
登録日2022-10-16
公開日2023-03-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal Structure of the Commercial Herbicide, Amidosulfuron, in Complex with Arabidopsis thaliana Acetohydroxyacid Synthase.
J.Agric.Food Chem., 71, 2023
4NON
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BU of 4non by Molmil
Crystal structure of GDP-bound A143S mutant of the S. thermophilus FeoB G-domain
分子名称: Ferrous iron uptake transporter protein B, GUANOSINE-5'-DIPHOSPHATE
著者Guilfoyle, A.P, Deshpande, C.N, Jormakka, M.
登録日2013-11-20
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional analysis of a FeoB A143S G5 loop mutant explains the accelerated GDP release rate.
Febs J., 281, 2014

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