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2ZO9
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BU of 2zo9 by Molmil
Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal ion preference
Descriptor: FE (II) ION, MALONATE ION, Phosphohydrolase
Authors:Jackson, C.J, Carr, P.D, Ollis, D.L.
Deposit date:2008-05-07
Release date:2008-10-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal-ion preference.
Acta Crystallogr.,Sect.F, 64, 2008
3A4J
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BU of 3a4j by Molmil
arPTE (K185R/D208G/N265D/T274N)
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, Phosphotriesterase
Authors:Foo, J.L, Jackson, C.J, Carr, P.D, Ollis, D.L.
Deposit date:2009-07-07
Release date:2010-01-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase
Proc.Natl.Acad.Sci.USA, 2009
2ZOA
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BU of 2zoa by Molmil
Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) COLLECTED AT 1.280 ANGSTROM
Descriptor: FE (II) ION, MALONATE ION, Phosphohydrolase
Authors:Ollis, D.L, Jackson, C.J, Carr, P.D.
Deposit date:2008-05-07
Release date:2008-10-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal-ion preference.
Acta Crystallogr.,Sect.F, 64, 2008
6WO1
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BU of 6wo1 by Molmil
Hybrid acetohydroxyacid synthase complex structure with Cryptococcus neoformans AHAS catalytic subunit and Saccharomyces cerevisiae AHAS regulatory subunit
Descriptor: 2-methylpyrimidin-4-amine, Acetohydroxyacid synthase catalytic subunit, Acetohydroxyacid synthase regulatory subunit, ...
Authors:Guddat, L.W, Lonhienne, T.
Deposit date:2020-04-23
Release date:2020-07-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of fungal and plant acetohydroxyacid synthases.
Nature, 586, 2020
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
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
4Q00
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BU of 4q00 by Molmil
Crystal structure of an S150A mutant of the E. coli FeoB G-domain
Descriptor: Ferrous iron transport protein B, SULFATE ION
Authors:Jormakka, M, Guilfoyle, A.P, Deshpande, C.N.
Deposit date:2014-03-31
Release date:2015-02-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploring the correlation between the sequence composition of the nucleotide binding G5 loop of the FeoB GTPase domain (NFeoB) and intrinsic rate of GDP release.
Biosci.Rep., 34, 2014
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:2024-10-16
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis of resistance to herbicides that target acetohydroxyacid synthase.
Nat Commun, 13, 2022
4Q5I
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BU of 4q5i by Molmil
Crystal structure of a T151A mutant of the E. coli FeoB G-domain
Descriptor: Ferrous iron transport protein B, SULFATE ION
Authors:Jormakka, M, Guilfoyle, A.P, Deshpande, C.N, Maher, M.
Deposit date:2014-04-17
Release date:2015-04-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Exploring the correlation between the sequence composition of the nucleotide binding G5 loop of the FeoB GTPase domain (NFeoB) and intrinsic rate of GDP release.
Biosci.Rep., 34, 2014
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
6G46
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BU of 6g46 by Molmil
Red kidney bean purple acid phosphatase in complex with 2-(Naphthalen-1-yl)thiazole-4-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid, ...
Authors:Feder, D.F.
Deposit date:2018-03-26
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Purple acid phosphatase inhibitors as leads for osteoporosis chemotherapeutics.
Eur J Med Chem, 157, 2018
6U9H
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BU of 6u9h by Molmil
Arabidopsis thaliana acetohydroxyacid synthase complex
Descriptor: Acetolactate synthase small subunit 2, chloroplastic, Acetolactate synthase, ...
Authors:Guddat, L.W, Low, Y.S, Rao, Z.
Deposit date:2019-09-08
Release date:2020-07-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of fungal and plant acetohydroxyacid synthases.
Nature, 586, 2020
6U9D
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BU of 6u9d by Molmil
Saccharomyces cerevisiae acetohydroxyacid synthase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Acetolactate synthase catalytic subunit, mitochondrial, ...
Authors:Guddat, L.W, Lonhienne, T.
Deposit date:2019-09-08
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.194 Å)
Cite:Structures of fungal and plant acetohydroxyacid synthases.
Nature, 586, 2020
6VZ8
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BU of 6vz8 by Molmil
Arabidopsis thaliana acetohydroxyacid synthase complex with valine bound
Descriptor: Acetolactate synthase small subunit 2, chloroplastic, Acetolactate synthase, ...
Authors:Guddat, L.W, Low, Y.S.
Deposit date:2020-02-27
Release date:2020-07-15
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structures of fungal and plant acetohydroxyacid synthases.
Nature, 586, 2020
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.
Descriptor: 3-(methylsulfonyl)-2-oxopropanoic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ...
Authors:Bayaraa, T, Patel, K.M, Guddat, L.W.
Deposit date:2020-01-29
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery, Synthesis and Evaluation of a Ketol-Acid Reductoisomerase Inhibitor.
Chemistry, 26, 2020
8SXD
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BU of 8sxd by Molmil
Campylobacter jejuni keto-acid reductoisomerase in complex with intermediate and NADP+
Descriptor: 3-hydroxy-3-methyl-2-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase, ...
Authors:Lin, X, Lonhienne, T, Guddat, L.W.
Deposit date:2023-05-21
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8SWM
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BU of 8swm by Molmil
Crystal structure of Campylobacter jejuni ketol-acid reductoisomerase in complex with 2-acetolactate
Descriptor: (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase (NADP(+)), ...
Authors:Lin, X, Lonhienne, T, Guddat, L.W.
Deposit date:2023-05-19
Release date:2024-04-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
7LAT
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BU of 7lat by Molmil
Campylobacter jejuni keto-acid reductoisomerase in complex with Mg2+
Descriptor: Ketol-acid reductoisomerase, MAGNESIUM ION
Authors:Guddat, L.W.
Deposit date:2021-01-06
Release date:2022-01-12
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8UPP
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BU of 8upp by Molmil
Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and Hoe704
Descriptor: (2R)-(dimethylphosphoryl)(hydroxy)acetic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
Authors:Lin, X, Lv, Y, Lonhienne, T, Guddat, L.W.
Deposit date:2023-10-23
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8UPN
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BU of 8upn by Molmil
Campylobacter jejuni ketol-acid reductoisomerase in complex with NADP+ and HMKB
Descriptor: 3-hydroxy-3-methyl-2-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase, ...
Authors:Lin, X, Lonhienne, T, Guddat, L.W.
Deposit date:2023-10-23
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8UPQ
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BU of 8upq by Molmil
Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3-dihydroxy-3-isovalerate.
Descriptor: (2R)-2,3-dihydroxy-3-methylbutanoic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION
Authors:Lin, X, Lonhienne, T, Guddat, L.W.
Deposit date:2023-10-23
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
7KE2
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BU of 7ke2 by Molmil
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+ and NSC116565
Descriptor: 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION
Authors:Kurz, J.L, Patel, K.P, Guddat, L.W.
Deposit date:2020-10-09
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Discovery of a Pyrimidinedione Derivative with Potent Inhibitory Activity against Mycobacterium tuberculosis Ketol-Acid Reductoisomerase.
Chemistry, 27, 2021

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