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3RAS
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Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with a lipophilic phosphonate inhibitor
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ...
著者Diao, J, Deng, L, Prasad, B.V.V, Song, Y.
登録日2011-03-28
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies.
J.Med.Chem., 54, 2011
7S04
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1-deoxy-D-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii in complex with FR900098, NADPH, and a magnesium ion
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, MAGNESIUM ION, ...
著者Noble, S.M, Ball, H.S, Couch, R.D.
登録日2021-08-28
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献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
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
分子名称: 1-deoxy-D-xylulose-5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CHLORIDE ION, ...
著者Mazzone, F, Hoeppner, A, Reiners, J, Applegate, V, Abdullaziz, M, Gottstein, J, Wesemann, M, Kurz, T, Smits, S.H, Pfeffer, K.
登録日2024-02-26
公開日2024-08-21
最終更新日2024-09-04
実験手法SOLUTION SCATTERING (2.56 Å), X-RAY DIFFRACTION
主引用文献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
5DUL
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1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis in complex with NADPH
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Osipiuk, J, Mulligan, R, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-09-18
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis in complex with NADPH .
to be published
4GAE
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BU of 4gae by Molmil
Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor
分子名称: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, ...
著者Diao, J, Xue, J, Cai, G, Deng, L, Song, Y.
登録日2012-07-25
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antimalarial and Structural Studies of Pyridine-containing Inhibitors of 1-Deoxyxylulose-5-phosphate Reductoisomerase.
ACS Med Chem Lett, 4, 2013
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
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 1-deoxy-L-erythrulose, MANGANESE (II) ION, ...
著者Gulick, A.M, Allen, C.L, Kholodar, S.A, Murkin, A.S.
登録日2014-09-17
公開日2015-03-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献The role of phosphate in a multistep enzymatic reaction: reactions of the substrate and intermediate in pieces.
J.Am.Chem.Soc., 137, 2015
3IIE
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BU of 3iie by Molmil
1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis.
分子名称: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MAGNESIUM ION
著者Osipiuk, J, Mulligan, R, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-07-31
公開日2009-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献X-ray crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis.
To be Published
4KP7
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Structure of Plasmodium IspC in complex with a beta-thia-isostere derivative of Fosmidomycin
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (III) ION, ...
著者Kunfermann, A, Bacher, A, Groll, M.
登録日2013-05-13
公開日2013-10-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献IspC as Target for Antiinfective Drug Discovery: Synthesis, Enantiomeric Separation, and Structural Biology of Fosmidomycin Thia Isosters.
J.Med.Chem., 56, 2013
3R0I
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BU of 3r0i by Molmil
IspC in complex with an N-methyl-substituted hydroxamic acid
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, {(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid
著者Behrendt, C.T, Kunfermann, A, Illarionova, V, Matheeussen, A, Pein, M.K, Graewert, T, Bacher, A, Eisenreich, W, Illarionov, B, Fischer, M, Maes, L, Groll, M, Kurz, T.
登録日2011-03-08
公開日2011-09-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Reverse Fosmidomycin Derivatives against the Antimalarial Drug Target IspC (Dxr).
J.Med.Chem., 54, 2011
1T1S
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BU of 1t1s by Molmil
Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MAGNESIUM ION, SULFATE ION, ...
著者Yajima, S, Hara, K, Sanders, J.M, Yin, F, Ohsawa, K, Wiesner, J, Jomaa, H, Oldfield, E.
登録日2004-04-17
公開日2004-09-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic Structures of Two Bisphosphonate:1-Deoxyxylulose-5-Phosphate Reductoisomerase Complexes
J.Am.Chem.Soc., 126, 2004
1R0K
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BU of 1r0k by Molmil
Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Zymomonas mobilis
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, ACETATE ION
著者Ricagno, S, Grolle, S, Bringer-Meyer, S, Sahm, H, Lindqvist, Y, Schneider, G.
登録日2003-09-22
公開日2004-07-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of 1-deoxy-d-xylulose-5-phosphate reductoisomerase from Zymomonas mobilis at 1.9-A resolution.
Biochim.Biophys.Acta, 1698, 2004
1R0L
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BU of 1r0l by Molmil
1-deoxy-D-xylulose 5-phosphate reductoisomerase from zymomonas mobilis in complex with NADPH
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ricagno, S, Grolle, S, Bringer-Meyer, S, Sahm, H, Lindqvist, Y, Schneider, G.
登録日2003-09-22
公開日2004-07-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of 1-deoxy-d-xylulose-5-phosphate reductoisomerase from Zymomonas mobilis at 1.9-A resolution.
Biochim.Biophys.Acta, 1698, 2004
8JNW
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BU of 8jnw by Molmil
PfDXR - Mn2+ - NADPH - MAMK89 quaternary complex
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ...
著者Takada, S, Sakamoto, Y, Tanaka, N.
登録日2023-06-08
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献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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BU of 8jnv by Molmil
PfDXR - Mn2+ - MAMK89 ternary complex
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, CALCIUM ION, ...
著者Takada, S, Sakamoto, Y, Tanaka, N.
登録日2023-06-06
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
4OOF
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BU of 4oof by Molmil
M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase W203F mutant bound to fosmidomycin and NADPH
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ...
著者Allen, C.L, Kholodar, S.A, Murkin, A.S, Gulick, A.M.
登録日2014-01-31
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alteration of the Flexible Loop in 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase Boosts Enthalpy-Driven Inhibition by Fosmidomycin.
Biochemistry, 53, 2014
2C82
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X-Ray Structure Of 1-Deoxy-D-xylulose 5-phosphate Reductoisomerase, DXR, Rv2870c, From Mycobacterium tuberculosis
分子名称: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, SULFATE ION
著者Henriksson, L.M, Bjorkelid, C, Mowbray, S.L, Unge, T.
登録日2005-11-30
公開日2006-06-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The 1.9 A Resolution Structure of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, a Potential Drug Target.
Acta Crystallogr.,Sect.D, 62, 2006
2EGH
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BU of 2egh by Molmil
Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase complexed with a magnesium ion, NADPH and fosmidomycin
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MAGNESIUM ION, ...
著者Yajima, S, Hara, K, Iino, D, Sasaki, Y, Kuzuyama, T, Seto, H.
登録日2007-03-01
公開日2007-06-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase in a quaternary complex with a magnesium ion, NADPH and the antimalarial drug fosmidomycin
Acta Crystallogr.,Sect.F, 63, 2007
1JVS
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BU of 1jvs by Molmil
Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase; a target enzyme for antimalarial drugs
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
著者Yajima, S, Nonaka, T, Kuzuyama, T, Seto, H, Ohsawa, K.
登録日2001-08-31
公開日2002-10-09
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase complexed with cofactors: implications of a flexible loop movement upon substrate binding.
J.Biochem., 131, 2002
1K5H
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BU of 1k5h by Molmil
1-deoxy-D-xylulose-5-phosphate reductoisomerase
分子名称: 1-deoxy-D-xylulose-5-phosphate reductoisomerase
著者Reuter, K, Sanderbrand, S, Jomaa, H, Wiesner, J, Steinbrecher, I, Beck, E, Hintz, M, Klebe, G, Stubbs, M.T.
登録日2001-10-10
公開日2002-02-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of 1-deoxy-D-xylulose-5-phosphate reductoisomerase, a crucial enzyme in the non-mevalonate pathway of isoprenoid biosynthesis.
J.Biol.Chem., 277, 2002
4OOE
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BU of 4ooe by Molmil
M. tuberculosis 1-deoxy-d-xylulose-5-phosphate reductoisomerase W203Y mutant bound to fosmidomycin and NADPH
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ...
著者Allen, C.L, Kholodar, S.A, Murkin, A.S, Gulick, A.M.
登録日2014-01-31
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.826 Å)
主引用文献Alteration of the Flexible Loop in 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase Boosts Enthalpy-Driven Inhibition by Fosmidomycin.
Biochemistry, 53, 2014
1T1R
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BU of 1t1r by Molmil
Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, SULFATE ION, [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID
著者Yajima, S, Hara, K, Sanders, J.M, Yin, F, Ohsawa, K, Wiesner, J, Jomaa, H, Oldfield, E.
登録日2004-04-17
公開日2004-09-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic Structures of Two Bisphosphonate:1-Deoxyxylulose-5-Phosphate Reductoisomerase Complexes
J.Am.Chem.Soc., 126, 2004
5JO0
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Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC56 and manganese
分子名称: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2016-05-01
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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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Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC52 and manganese
分子名称: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2016-04-13
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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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Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC54 and manganese
分子名称: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2016-04-30
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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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Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC55 and manganese
分子名称: 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ...
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2016-04-14
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016

 

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