3R0I
| IspC in complex with an N-methyl-substituted hydroxamic acid | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, {(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid | Authors: | 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. | Deposit date: | 2011-03-08 | Release date: | 2011-09-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Reverse Fosmidomycin Derivatives against the Antimalarial Drug Target IspC (Dxr). J.Med.Chem., 54, 2011
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8S65
| 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
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3O6B
| A Dual E3 Mechanism for Rub1 Ligation to Cdc53: Dcn1(P)-Cdc53(WHB) low resolution | Descriptor: | Cell division control protein 53, Defective in cullin neddylation protein 1 | Authors: | Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A. | Deposit date: | 2010-07-28 | Release date: | 2010-09-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A dual E3 mechanism for Rub1 ligation to Cdc53. Mol.Cell, 39, 2010
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3O2U
| S. cerevisiae Ubc12 | Descriptor: | GLYCEROL, NEDD8-conjugating enzyme UBC12 | Authors: | Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A. | Deposit date: | 2010-07-22 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | A dual E3 mechanism for Rub1 ligation to Cdc53. Mol.Cell, 39, 2010
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3O2P
| A Dual E3 Mechanism for Rub1 Ligation to Cdc53: Dcn1(P)-Cdc53(WHB) | Descriptor: | Cell division control protein 53, Defective in cullin neddylation protein 1, GLYCEROL | Authors: | Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A. | Deposit date: | 2010-07-22 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.233 Å) | Cite: | A dual E3 mechanism for Rub1 ligation to Cdc53. Mol.Cell, 39, 2010
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4CHB
| Crystal structure of the human KLHL2 Kelch domain in complex with a WNK4 peptide | Descriptor: | 1,2-ETHANEDIOL, DODECAETHYLENE GLYCOL, KELCH-LIKE PROTEIN 2, ... | Authors: | Sorrell, F.J, Schumacher, F.R, Kurz, T, Alessi, D.R, Newman, J, Cooper, C.D.O, Canning, P, Kopec, J, Williams, E, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2013-11-29 | Release date: | 2014-01-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural and Biochemical Characterisation of the Klhl3-Wnk Kinase Interaction Important in Blood Pressure Regulation. Biochem.J., 460, 2014
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4CH9
| Crystal structure of the human KLHL3 Kelch domain in complex with a WNK4 peptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, KELCH-LIKE PROTEIN 3, ... | Authors: | Sorrell, F.J, Schumacher, F.R, Kurz, T, Alessi, D.R, Newman, J, Goubin, S, Chalk, R, Kopec, J, Tallant, C, Williams, E, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2013-11-29 | Release date: | 2014-01-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural and Biochemical Characterisation of the Klhl3-Wnk Kinase Interaction Important in Blood Pressure Regulation. Biochem.J., 460, 2014
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3BQ3
| Crystal structure of S. cerevisiae Dcn1 | Descriptor: | Defective in cullin neddylation protein 1, GLYCEROL | Authors: | Chou, Y.C, Sicheri, F. | Deposit date: | 2007-12-19 | Release date: | 2008-01-29 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dcn1 Functions as a Scaffold-Type E3 Ligase for Cullin Neddylation. Mol.Cell, 29, 2008
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6CW8
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with RTS-V5 | Descriptor: | 1,2-ETHANEDIOL, Hdac6 protein, N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2018-03-30 | Release date: | 2018-11-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor. J. Med. Chem., 61, 2018
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6DVM
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-122 | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide, ... | Authors: | Porter, N.J, Christianson, D.W. | Deposit date: | 2018-06-24 | Release date: | 2018-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity. J. Med. Chem., 61, 2018
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6DVO
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with Bavarostat | Descriptor: | 1,2-ETHANEDIOL, 3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide, Hdac6 protein, ... | Authors: | Porter, N.J, Christianson, D.W. | Deposit date: | 2018-06-24 | Release date: | 2018-08-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity. J. Med. Chem., 61, 2018
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6DVL
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6DVN
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8JNW
| 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
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8JNV
| 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
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4KP7
| Structure of Plasmodium IspC in complex with a beta-thia-isostere derivative of Fosmidomycin | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (III) ION, ... | Authors: | Kunfermann, A, Bacher, A, Groll, M. | Deposit date: | 2013-05-13 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | IspC as Target for Antiinfective Drug Discovery: Synthesis, Enantiomeric Separation, and Structural Biology of Fosmidomycin Thia Isosters. J.Med.Chem., 56, 2013
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6H39
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3WQR
| 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
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3WQQ
| 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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3WQS
| Crystal structure of pfdxr complexed with inhibitor-126 | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MAGNESIUM 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 (2.35 Å) | Cite: | Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC. J.Med.Chem., 57, 2014
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3UPL
| Crystal structure of the Brucella abortus enzyme catalyzing the first committed step of the methylerythritol 4-phosphate pathway. | Descriptor: | GLYCEROL, MAGNESIUM ION, Oxidoreductase | Authors: | Calisto, B.M, Perez-Gil, J, Fita, I, Rodriguez-Concepcion, M. | Deposit date: | 2011-11-18 | Release date: | 2012-03-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of Brucella abortus deoxyxylulose-5-phosphate reductoisomerase-like (DRL) enzyme involved in isoprenoid biosynthesis. J.Biol.Chem., 287, 2012
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3UPY
| Crystal structure of the Brucella abortus enzyme catalyzing the first committed step of the methylerythritol 4-phosphate pathway. | Descriptor: | 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MAGNESIUM ION, Oxidoreductase | Authors: | Calisto, B.M, Perez-Gil, J, Fita, I, Rodriguez-Concepcion, M. | Deposit date: | 2011-11-18 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Brucella abortus deoxyxylulose-5-phosphate reductoisomerase-like (DRL) enzyme involved in isoprenoid biosynthesis. J.Biol.Chem., 287, 2012
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