8UAS
| Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 1a | Descriptor: | 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | Authors: | Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C. | Deposit date: | 2023-09-22 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics Catalysts, 14, 2024
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3A3W
| Structure of OpdA mutant (G60A/A80V/S92A/R118Q/K185R/Q206P/D208G/I260T/G273S) with diethyl 4-methoxyphenyl phosphate bound in the active site | Descriptor: | COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, Phosphotriesterase | Authors: | Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K. | Deposit date: | 2009-06-23 | Release date: | 2010-01-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase Proc.Natl.Acad.Sci.USA, 2009
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3A3X
| Structure of OpdA mutant (G60A/A80V/R118Q/K185R/Q206P/D208G/I260T/G273S) | Descriptor: | COBALT (II) ION, Phosphotriesterase | Authors: | Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K. | Deposit date: | 2009-06-23 | Release date: | 2010-01-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase Proc.Natl.Acad.Sci.USA, 2009
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3D03
| 1.9A structure of Glycerophoshphodiesterase (GpdQ) from Enterobacter aerogenes | Descriptor: | COBALT (II) ION, Phosphohydrolase | Authors: | 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. | Deposit date: | 2008-04-30 | Release date: | 2008-10-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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
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7OV3
| Crystal structure of pig purple acid phosphatase in complex with Maybridge fragment CC063346, dimethyl sulfoxide and citrate | Descriptor: | 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, ... | Authors: | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | Deposit date: | 2021-06-14 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach. Chemmedchem, 16, 2021
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7OV2
| Crystal structure of pig purple acid phosphatase in complex with L-glutamine, (poly)ethylene glycol fragments and glycerol | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, FE (III) ION, ... | Authors: | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | Deposit date: | 2021-06-14 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach. Chemmedchem, 16, 2021
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7OV8
| Crystal structure of pig purple acid phosphatase in complex with 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) and glycerol | Descriptor: | 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, ... | Authors: | Feder, D, McGeary, R.P, Guddat, L.W, Schenk, G. | Deposit date: | 2021-06-14 | Release date: | 2022-03-23 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach. Chemmedchem, 16, 2021
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6DR8
| Metallo-beta-lactamase from Cronobacter sakazakii (Enterobacter sakazakii) HARLDQ motif mutant S60/R118H/Q121H/K254H | Descriptor: | (2-hydroxyethoxy)acetaldehyde, Beta-lactamase, PHOSPHATE ION, ... | Authors: | Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G. | Deposit date: | 2018-06-11 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.476 Å) | Cite: | Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse Protein Cell, 2020
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6DN4
| Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif | Descriptor: | Beta-lactamase | Authors: | Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G. | Deposit date: | 2018-06-06 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse Protein Cell, 2020
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6DQH
| Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif | Descriptor: | Beta-lactamase, PHOSPHATE ION, ZINC ION | Authors: | Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G. | Deposit date: | 2018-06-11 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.104 Å) | Cite: | Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse Protein Cell, 2020
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6DQ2
| Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif mutant S60 | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G. | Deposit date: | 2018-06-10 | Release date: | 2019-06-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.158 Å) | Cite: | Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse Protein Cell, 2020
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6VJ7
| Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine 5'-(beta,gamma imido)triphosphate | Descriptor: | 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, ... | Authors: | Feder, D, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S. | Deposit date: | 2020-01-15 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops. Plant Sci., 294, 2020
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7LUU
| Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active Site Glutamic Acid | Descriptor: | GLYCEROL, SULFATE ION, Subclass B3 metallo-beta-lactamase, ... | Authors: | Wilson, L, Knaven, E, Morris, M.T, Schenk, G. | Deposit date: | 2021-02-23 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Kinetic and Structural Characterization of the First B3 Metallo-beta-Lactamase with an Active-Site Glutamic Acid. Antimicrob.Agents Chemother., 65, 2021
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3OOD
| Structure of OpdA Y257F mutant soaked with diethyl 4-methoxyphenyl phosphate for 20 hours. | Descriptor: | COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, Phosphotriesterase | Authors: | Ely, F, Guddat, L.W, Ollis, D.L, Schenk, G. | Deposit date: | 2010-08-31 | Release date: | 2011-11-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | The organophosphate-degrading enzyme from Agrobacterium radiobacter displays mechanistic flexibility for catalysis. Biochem.J., 432, 2010
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3OQE
| Structure of OpdA mutant Y257F | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, Phosphotriesterase | Authors: | Ely, F, Guddat, L.W, Ollis, D.L, Schenk, G. | Deposit date: | 2010-09-02 | Release date: | 2011-11-02 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The organophosphate-degrading enzyme from Agrobacterium radiobacter displays mechanistic flexibility for catalysis. Biochem.J., 432, 2010
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2QFP
| Crystal structure of red kidney bean purple acid phosphatase in complex with fluoride | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, FLUORIDE ION, ... | Authors: | Guddat, L.W, Schenk, G.S, Gahan, L.R, Elliot, T.W, Leung, E. | Deposit date: | 2007-06-27 | Release date: | 2008-10-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of a purple acid phosphatase, representing different steps of this enzyme's catalytic cycle. Bmc Struct.Biol., 8, 2008
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5EDF
| Crystal structure of the selenomethionine-substituted iron-regulated protein FrpD from Neisseria meningitidis | Descriptor: | AZIDE ION, FrpC operon protein, HEXAETHYLENE GLYCOL, ... | Authors: | Sviridova, E, Bumba, L, Rezacova, P, Sebo, P, Kuta Smatanova, I. | Deposit date: | 2015-10-21 | Release date: | 2017-02-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis. Sci Rep, 7, 2017
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5EDJ
| Crystal structure of the Neisseria meningitidis iron-regulated outer membrane lipoprotein FrpD | Descriptor: | FrpC operon protein | Authors: | Sviridova, E, Bumba, L, Rezacova, P, Sebo, P, Kuta Smatanova, I. | Deposit date: | 2015-10-21 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis. Sci Rep, 7, 2017
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8EJ0
| Crystal structure of Fe-S cluster-dependent dehydratase from Paralcaligenes ureilyticus in complex with Mg | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, Dihydroxyacid dehydratase, ... | Authors: | Bayaraa, T, Lonhienne, T, Guddat, L.W. | Deposit date: | 2022-09-16 | Release date: | 2023-08-30 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural and Functional Insight into the Mechanism of the Fe-S Cluster-Dependent Dehydratase from Paralcaligenes ureilyticus. Chemistry, 29, 2023
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4YPO
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5VEJ
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8CY8
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8ET5
| Crystal structure of arabidopsis thaliana acetohydroxyacid synthase S653T mutant in complex with amidosulfuron | Descriptor: | 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, ... | Authors: | Guddat, L.W, Cheng, Y. | Deposit date: | 2022-10-16 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Crystal Structure of the Commercial Herbicide, Amidosulfuron, in Complex with Arabidopsis thaliana Acetohydroxyacid Synthase. J.Agric.Food Chem., 71, 2023
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8ET4
| Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with amidosulfuron | Descriptor: | 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, ... | Authors: | Guddat, L.W, Cheng, Y. | Deposit date: | 2022-10-16 | Release date: | 2023-03-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structure of the Commercial Herbicide, Amidosulfuron, in Complex with Arabidopsis thaliana Acetohydroxyacid Synthase. J.Agric.Food Chem., 71, 2023
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4NON
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