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8S65
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1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) as target for anti Toxoplasma gondii compounds: crystal structure, biochemical characterization and biological evaluation of inhibitors
Descriptor: 1-deoxy-D-xylulose-5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CHLORIDE ION, ...
Authors:Mazzone, F, Hoeppner, A, Reiners, J, Applegate, V, Abdullaziz, M, Gottstein, J, Wesemann, M, Kurz, T, Smits, S.H, Pfeffer, K.
Deposit date:2024-02-26
Release date:2024-08-21
Last modified:2024-09-04
Method:SOLUTION SCATTERING (2.56 Å), X-RAY DIFFRACTION
Cite:1-Deoxy-d-xylulose 5-phosphate reductoisomerase as target for anti Toxoplasma gondii agents: crystal structure, biochemical characterization and biological evaluation of inhibitors.
Biochem.J., 481, 2024
8JNW
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PfDXR - Mn2+ - NADPH - MAMK89 quaternary complex
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ...
Authors:Takada, S, Sakamoto, Y, Tanaka, N.
Deposit date:2023-06-08
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
8JNV
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PfDXR - Mn2+ - MAMK89 ternary complex
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ...
Authors:Takada, S, Sakamoto, Y, Tanaka, N.
Deposit date:2023-06-06
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Reverse N -Substituted Hydroxamic Acid Derivatives of Fosmidomycin Target a Previously Unknown Subpocket of 1-Deoxy-d-xylulose 5-Phosphate Reductoisomerase (DXR).
Acs Infect Dis., 10, 2024
7S04
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BU of 7s04 by Molmil
1-deoxy-D-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii in complex with FR900098, NADPH, and a magnesium ion
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, MAGNESIUM ION, ...
Authors:Noble, S.M, Ball, H.S, Couch, R.D.
Deposit date:2021-08-28
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Characterization and Inhibition of 1-Deoxy-d-Xylulose 5-Phosphate Reductoisomerase: A Promising Drug Target in Acinetobacter baumannii and Klebsiella pneumoniae .
Acs Infect Dis., 7, 2021
5KRY
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BU of 5kry by Molmil
1-deoxy-D-xylulose 5-phosphate reductoisomerase from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase
Authors:Ussin, N, Abdulsalam, R.W, Chruszcz, M.
Deposit date:2016-07-07
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of 1-deoxy-D-xylulose 5-phosphate Reductoisomerase from Vibrio vulnificus.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
5KS1
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BU of 5ks1 by Molmil
1-deoxy-D-xylulose 5-phosphate reductoisomerase from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, ...
Authors:Ussin, N, Abdulsalam, R.W, Offermann, L.R, Chruszcz, M.
Deposit date:2016-07-07
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural characterization of 1-deoxy-D-xylulose 5-phosphate Reductoisomerase from Vibrio vulnificus.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
5KRV
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1-deoxy-D-xylulose 5-phosphate reductoisomerase from Vibrio vulnificus in complex Arginine
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, ARGININE, ...
Authors:Ussin, N, Abdulsalam, R.W, Magee, P, Chruszcz, M.
Deposit date:2016-07-07
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of 1-deoxy-D-xylulose 5-phosphate Reductoisomerase from Vibrio vulnificus.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
5KRR
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1-deoxy-D-xylulose 5-phosphate reductoisomerase from Vibrio vulnificus in complex with Mn(2+)
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, CHLORIDE ION, ...
Authors:Ussin, N, Abdulsalam, R.W, Offermann, L.R, Perdue, M, Chruszcz, M.
Deposit date:2016-07-07
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural characterization of 1-deoxy-D-xylulose 5-phosphate Reductoisomerase from Vibrio vulnificus.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
5KQO
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1-deoxy-D-xylulose 5-phosphate reductoisomerase from Vibrio vulnificus
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, PHOSPHATE ION
Authors:Ussin, N, Offermann, L.R, Perdue, M, Chruszcz, M.
Deposit date:2016-07-06
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural characterization of 1-deoxy-D-xylulose 5-phosphate Reductoisomerase from Vibrio vulnificus.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
5JO0
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BU of 5jo0 by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC56 and manganese
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-05-01
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
5JNL
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BU of 5jnl by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC54 and manganese
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-04-30
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
5JMW
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BU of 5jmw by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC50 and manganese
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-04-29
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
5JMP
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BU of 5jmp by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC57 and manganese
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-04-29
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
5JC1
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BU of 5jc1 by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC55 and manganese
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-04-14
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
5JBI
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BU of 5jbi by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC52 and manganese
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-04-13
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
5JAZ
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BU of 5jaz by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC51 and manganese
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, FORMIC ACID, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2016-04-12
Release date:2016-08-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
5DUL
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BU of 5dul by Molmil
1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis in complex with NADPH
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Osipiuk, J, Mulligan, R, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-09-18
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis in complex with NADPH .
to be published
4ZN6
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BU of 4zn6 by Molmil
X-ray Crystal Structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-05-04
Release date:2015-05-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-ray Crystal Structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii
to be published
4Y6R
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BU of 4y6r by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC137, and manganese
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CHLORIDE ION, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2015-02-13
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
4Y6S
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BU of 4y6s by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC134, and manganese
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2015-02-13
Release date:2015-04-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
4Y6P
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BU of 4y6p by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC177, and manganese
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2015-02-13
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
4Y67
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BU of 4y67 by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2015-02-12
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
4RCV
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BU of 4rcv by Molmil
M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase bound to 1-deoxy-L-erythrulose
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 1-deoxy-L-erythrulose, MANGANESE (II) ION, ...
Authors:Gulick, A.M, Allen, C.L, Kholodar, S.A, Murkin, A.S.
Deposit date:2014-09-17
Release date:2015-03-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:The role of phosphate in a multistep enzymatic reaction: reactions of the substrate and intermediate in pieces.
J.Am.Chem.Soc., 137, 2015
3WQR
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Crystal structure of pfdxr complexed with inhibitor-12
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ...
Authors:Tanaka, N, Umeda, T.
Deposit date:2014-01-31
Release date:2014-11-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.
J.Med.Chem., 57, 2014
3WQQ
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Crystal structure of PfDXR complexed with inhibitor-3
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ...
Authors:Tanaka, N, Umeda, T.
Deposit date:2014-01-31
Release date:2014-11-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.
J.Med.Chem., 57, 2014

 

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