3ZHY
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![BU of 3zhy by Molmil](/molmil-images/mine/3zhy) | Structure of Mycobacterium tuberculosis DXR in complex with a di- substituted fosmidomycin analogue | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Bjorkelid, C, Jansson, A.M, Bergfors, T, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2012-12-30 | Release date: | 2013-10-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dxr Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues. J.Med.Chem., 56, 2013
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3ZHZ
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![BU of 3zhz by Molmil](/molmil-images/mine/3zhz) | Structure of Mycobacterium tuberculosis DXR in complex with a fosmidomycin analogue | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, [(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonyl-amino]propyl]phosphonic acid | Authors: | Bjorkelid, C, Jansson, A.M, Bergfors, T, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2012-12-30 | Release date: | 2013-10-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Dxr Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues. J.Med.Chem., 56, 2013
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3ZHX
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![BU of 3zhx by Molmil](/molmil-images/mine/3zhx) | Structure of Mycobacterium tuberculosis DXR in complex with a fosmidomycin analogue | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, [(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl(phenylcarbonyl)amino]propyl]phosphonic acid | Authors: | Bjorkelid, C, Jansson, A.M, Bergfors, T, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2012-12-30 | Release date: | 2013-10-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dxr Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues. J.Med.Chem., 56, 2013
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6I8R
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![BU of 6i8r by Molmil](/molmil-images/mine/6i8r) | |
3CBS
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![BU of 3cbs by Molmil](/molmil-images/mine/3cbs) | CELLULAR RETINOIC ACID BINDING PROTEIN II IN COMPLEX WITH A SYNTHETIC RETINOIC ACID (RO-12 7310) | Descriptor: | (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid, PROTEIN (CRABP-II) | Authors: | Chaudhuri, B, Kleywegt, G.J, Bergfors, T, Jones, T.A. | Deposit date: | 1999-02-22 | Release date: | 1999-12-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of cellular retinoic acid binding proteins I and II in complex with synthetic retinoids. Acta Crystallogr.,Sect.D, 55, 1999
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6HTW
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![BU of 6htw by Molmil](/molmil-images/mine/6htw) | |
7BBN
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![BU of 7bbn by Molmil](/molmil-images/mine/7bbn) | |
1CBR
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![BU of 1cbr by Molmil](/molmil-images/mine/1cbr) | |
2VEO
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![BU of 2veo by Molmil](/molmil-images/mine/2veo) | X-ray structure of Candida antarctica lipase A in its closed state. | Descriptor: | GLYCEROL, LIPASE A, TETRAETHYLENE GLYCOL, ... | Authors: | Ericsson, D.J, Kasrayan, A, Johansson, P, Bergfors, T, Sandstrom, A.G, Backvall, J.E, Mowbray, S.L. | Deposit date: | 2007-10-25 | Release date: | 2007-11-06 | Last modified: | 2015-04-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-Ray Structure of Candida Antarctica Lipase a Shows a Novel Lid Structure and a Likely Mode of Interfacial Activation. J.Mol.Biol., 376, 2008
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3ZI0
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![BU of 3zi0 by Molmil](/molmil-images/mine/3zi0) | Structure of Mycobacterium tuberculosis DXR in complex with a fosmidomycin analogue | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, [(1S)-1-(3,4-dichlorophenyl)-3-{hydroxy[2-(1H-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid | Authors: | Bjorkelid, C, Jansson, A.M, Bergfors, T, Unge, T, Mowbray, S.L, Jones, T.A. | Deposit date: | 2012-12-30 | Release date: | 2013-10-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dxr Inhibition by Potent Mono- and Disubstituted Fosmidomycin Analogues. J.Med.Chem., 56, 2013
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1CBS
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![BU of 1cbs by Molmil](/molmil-images/mine/1cbs) | |
1CBQ
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![BU of 1cbq by Molmil](/molmil-images/mine/1cbq) | CRYSTAL STRUCTURE OF CELLULAR RETINOIC-ACID-BINDING PROTEINS I AND II IN COMPLEX WITH ALL-TRANS-RETINOIC ACID AND A SYNTHETIC RETINOID | Descriptor: | 6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIMETHYL-1-METYLENEINDEN-2-YL)-3-METHYLHEXA-2,4-DIENOIC ACID, CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II, PHOSPHATE ION | Authors: | Kleywegt, G.J, Bergfors, T, Jones, T.A. | Deposit date: | 1994-09-28 | Release date: | 1995-01-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of cellular retinoic acid binding proteins I and II in complex with all-trans-retinoic acid and a synthetic retinoid. Structure, 2, 1994
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5JO0
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![BU of 5jo0 by Molmil](/molmil-images/mine/5jo0) | 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
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5JBI
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![BU of 5jbi by Molmil](/molmil-images/mine/5jbi) | 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
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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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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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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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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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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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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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4Y67
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![BU of 4y67 by Molmil](/molmil-images/mine/4y67) | 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
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4Y6P
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![BU of 4y6p by Molmil](/molmil-images/mine/4y6p) | 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
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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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