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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
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
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
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
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
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:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rational Design of Potent Inhibitors of a Metallohydrolase Using a Fragment-Based Approach.
Chemmedchem, 16, 2021
6DQH
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BU of 6dqh by Molmil
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
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
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
6DQ2
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BU of 6dq2 by Molmil
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
6DN4
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BU of 6dn4 by Molmil
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
6HWR
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BU of 6hwr by Molmil
Red kidney bean purple acid phosphatase in complex with adenosine divanadate
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, Gahan, L.R, McGeary, R.P, Guddat, L.W, Schenk, G.
Deposit date:2018-10-13
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Binding Mode of an ADP Analogue to a Metallohydrolase Mimics the Likely Transition State.
Chembiochem, 20, 2019
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
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
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
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
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
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADP METAVANADATE, ...
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:2019-07-29
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 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
2QFP
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BU of 2qfp by Molmil
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
7OFL
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BU of 7ofl by Molmil
Crystal structure of the sesquiterpene synthase Copu9 from coniophora puteana in complex with alendronate
Descriptor: 1,2-ETHANEDIOL, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, ...
Authors:Dimos, N, Loll, B.
Deposit date:2021-05-05
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Biotechnological potential and initial characterization of two novel sesquiterpene synthases from Basidiomycota Coniophora puteana for heterologous production of delta-cadinol.
Microb Cell Fact, 21, 2022
4R98
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BU of 4r98 by Molmil
Chimera of the N-terminal domain of E. coli FeoB
Descriptor: AMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ferrous iron transport protein B
Authors:Maher, M.J, Jormakka, M.
Deposit date:2014-09-03
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:A GTPase Chimera Illustrates an Uncoupled Nucleotide Affinity and Release Rate, Providing Insight into the Activation Mechanism.
Biophys.J., 107, 2014
7STQ
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BU of 7stq by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase W574L mutant in complex with chlorimuron-ethyl
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ...
Authors:Guddat, L.W, Cheng, Y.
Deposit date:2021-11-15
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
4YPO
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BU of 4ypo by Molmil
Crystal structure of Mycobacterium tuberculosis ketol-acid reductoisomerase in complex with Mg2+
Descriptor: CHLORIDE ION, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
Authors:Lv, Y, Guddat, L.W.
Deposit date:2015-03-13
Release date:2016-02-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.001 Å)
Cite: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
7U1D
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BU of 7u1d by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase P197T mutant in complex with chlorimuron-ethyl
Descriptor: (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, ...
Authors:Guddat, L.W, Cheng, Y.
Deposit date:2022-02-21
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
7U25
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BU of 7u25 by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase W574L mutant in complex with bispyribac-sodium
Descriptor: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid, 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, ...
Authors:Guddat, L.W, Cheng, Y.
Deposit date:2022-02-23
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
7U1U
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BU of 7u1u by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase W574L mutant
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, chloroplastic, ...
Authors:Guddat, L.W, Cheng, Y.
Deposit date:2022-02-22
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
7TZZ
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BU of 7tzz by Molmil
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase P197T mutant in complex with bispyribac-sodium
Descriptor: 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid, 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, ...
Authors:Guddat, L.W, Cheng, Y.
Deposit date:2022-02-16
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
8CY8
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BU of 8cy8 by Molmil
apo form Cryo-EM structure of Campylobacter jejune ketol-acid reductoisommerase crosslinked by Glutaraldehyde
Descriptor: Ketol-acid reductoisomerase (NADP(+)), PENTANEDIAL
Authors:Zheng, S, Guddat, L.W.
Deposit date:2022-05-23
Release date:2023-02-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite: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
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
8ET4
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BU of 8et4 by Molmil
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:2023-10-25
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
5EDF
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BU of 5edf by Molmil
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
5EDJ
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BU of 5edj by Molmil
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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