3GBP
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![BU of 3gbp by Molmil](/molmil-images/mine/3gbp) | |
1DBP
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![BU of 1dbp by Molmil](/molmil-images/mine/1dbp) | |
1DRJ
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![BU of 1drj by Molmil](/molmil-images/mine/1drj) | |
1DRK
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![BU of 1drk by Molmil](/molmil-images/mine/1drk) | |
2DRI
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2CJP
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![BU of 2cjp by Molmil](/molmil-images/mine/2cjp) | Structure of potato (Solanum tuberosum) epoxide hydrolase I (StEH1) | Descriptor: | 1,2-ETHANEDIOL, 2-PROPYLPENTANAMIDE, EPOXIDE HYDROLASE, ... | Authors: | Mowbray, S.L, Elfstrom, L.T, Ahlgren, K.M, Andersson, C.E, Widersten, M. | Deposit date: | 2006-04-05 | Release date: | 2006-06-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | X-Ray Structure of Potato Epoxide Hydrolase Sheds Light on Substrate Specificity in Plant Enzymes. Protein Sci., 15, 2006
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3MA0
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![BU of 3ma0 by Molmil](/molmil-images/mine/3ma0) | |
1BA2
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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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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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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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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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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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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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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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1Z3W
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![BU of 1z3w by Molmil](/molmil-images/mine/1z3w) | Structure of Phanerochaete chrysosporium cellobiohydrolase Cel7D (CBH58) in complex with cellobioimidazole | Descriptor: | (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, cellulase | Authors: | Ubhayasekera, W, Vasella, A, Stahlberg, J, Mowbray, S.L. | Deposit date: | 2005-03-14 | Release date: | 2005-04-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of Phanerochaete chrysosporium Cel7D in complex with product and inhibitors Febs J., 272, 2005
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1Z3T
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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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1Z3V
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![BU of 1z3v by Molmil](/molmil-images/mine/1z3v) | Structure of Phanerochaete chrysosporium cellobiohydrolase Cel7D (CBH58) in complex with lactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, cellulase | Authors: | Ubhayasekera, W, Munoz, I.G, Stahlberg, J, Mowbray, S.L. | Deposit date: | 2005-03-14 | Release date: | 2005-04-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structures of Phanerochaete chrysosporium Cel7D in complex with product and inhibitors Febs J., 272, 2005
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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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