5JNL
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![BU of 5jnl by Molmil](/molmil-images/mine/5jnl) | 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
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5JAZ
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![BU of 5jaz by Molmil](/molmil-images/mine/5jaz) | 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
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5JMP
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![BU of 5jmp by Molmil](/molmil-images/mine/5jmp) | 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
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5JMW
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![BU of 5jmw by Molmil](/molmil-images/mine/5jmw) | 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
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5JC1
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![BU of 5jc1 by Molmil](/molmil-images/mine/5jc1) | 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
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8QK2
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![BU of 8qk2 by Molmil](/molmil-images/mine/8qk2) | Structure of K.pneumoniae LpxH in complex with EBL-3339 | Descriptor: | MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase, ~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2023-09-14 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QK9
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![BU of 8qk9 by Molmil](/molmil-images/mine/8qk9) | Structure of E. coli LpxH in complex with JEDI-1444 | Descriptor: | 2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2023-09-14 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QK5
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![BU of 8qk5 by Molmil](/molmil-images/mine/8qk5) | Structure of K. pneumoniae LpxH in complex with EBL-3647 | Descriptor: | 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2023-09-14 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QJZ
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![BU of 8qjz by Molmil](/molmil-images/mine/8qjz) | Crystal structure of E. coli LpxH in complex with lipid X | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2023-09-14 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
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8QKA
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![BU of 8qka by Molmil](/molmil-images/mine/8qka) | Structure of K. pneumoniae LpxH in complex with JEDI-852 | Descriptor: | 2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2023-09-14 | Release date: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria. Proc.Natl.Acad.Sci.USA, 121, 2024
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2Y1F
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![BU of 2y1f by Molmil](/molmil-images/mine/2y1f) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue, manganese and NADPH. | Descriptor: | (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, ... | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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2Y1G
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![BU of 2y1g by Molmil](/molmil-images/mine/2y1g) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted FR900098 analogue and manganese. | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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2Y1D
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![BU of 2y1d by Molmil](/molmil-images/mine/2y1d) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue and manganese. | Descriptor: | (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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2Y1E
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![BU of 2y1e by Molmil](/molmil-images/mine/2y1e) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese. | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, SULFATE ION | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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2Y1C
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![BU of 2y1c by Molmil](/molmil-images/mine/2y1c) | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with manganese. | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION | Authors: | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2010-12-08 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase J.Med.Chem, 54, 2011
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3G02
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![BU of 3g02 by Molmil](/molmil-images/mine/3g02) | |
3G0I
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![BU of 3g0i by Molmil](/molmil-images/mine/3g0i) | |
2BES
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![BU of 2bes by Molmil](/molmil-images/mine/2bes) | Structure of Mycobacterium tuberculosis Ribose-5-Phosphate Isomerase, RpiB, Rv2465c, in complex with 4-phospho-D-erythronohydroxamic acid. | Descriptor: | 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID, CARBOHYDRATE-PHOSPHATE ISOMERASE | Authors: | Roos, A.K, Ericsson, D.J, Mowbray, S.L. | Deposit date: | 2004-11-30 | Release date: | 2004-12-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Competitive Inhibitors of Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase B Reveal New Information About the Reaction Mechanism. J.Biol.Chem., 280, 2005
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2BET
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![BU of 2bet by Molmil](/molmil-images/mine/2bet) | Structure of Mycobacterium tuberculosis Ribose-5-Phosphate Isomerase, RpiB, Rv2465c, in complex with 4-phospho-D-erythronate. | Descriptor: | 4-PHOSPHO-D-ERYTHRONATE, CARBOHYDRATE-PHOSPHATE ISOMERASE | Authors: | Roos, A.K, Ericsson, D.J, Mowbray, S.L. | Deposit date: | 2004-11-30 | Release date: | 2004-12-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Competitive Inhibitors of Mycobacterium Tuberculosis Ribose-5-Phosphate Isomerase B Reveal New Information About the Reaction Mechanism J.Biol.Chem., 280, 2005
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3CAI
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![BU of 3cai by Molmil](/molmil-images/mine/3cai) | Crystal structure of Mycobacterium tuberculosis Rv3778c protein | Descriptor: | POSSIBLE AMINOTRANSFERASE | Authors: | Covarrubias, A.S, Larsson, A.M, Jones, T.A, Bergfors, T, Mowbray, S.L, Unge, T. | Deposit date: | 2008-02-20 | Release date: | 2008-03-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and biochemical function studies of Mycobacterium tuberculosis essential protein Rv3778c To be published
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2Z39
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![BU of 2z39 by Molmil](/molmil-images/mine/2z39) | |
2Z37
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![BU of 2z37 by Molmil](/molmil-images/mine/2z37) | |
2Z38
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![BU of 2z38 by Molmil](/molmil-images/mine/2z38) | |
4Y6R
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![BU of 4y6r by Molmil](/molmil-images/mine/4y6r) | 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
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4Y6S
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![BU of 4y6s by Molmil](/molmil-images/mine/4y6s) | 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
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