9KP9
 
 | | PfDXR - Mn2+ - NADPH - TAKK443 quaternary complex | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, MANGANESE (II) ION, ... | | Authors: | Takada, S, Sakamoto, Y, Tanaka, N. | | Deposit date: | 2024-11-22 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Expanding the Chemical Space of Reverse Fosmidomycin Analogs.
Acs Med.Chem.Lett., 16, 2025
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9FZJ
 | | A new crystal structure of the hPXR-LBD in complex with SR12813 (P43212 form) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Carivenc, C, Blanc, P, Bourguet, W, Delfosse, V. | | Deposit date: | 2024-07-05 | | Release date: | 2025-02-19 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A two-in-one expression construct for biophysical and structural studies of the human pregnane X receptor ligand-binding domain, a pharmaceutical and environmental target.
Acta Crystallogr.,Sect.F, 81, 2025
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9FZI
 | | A new crystal structure of the hPXR-LBD in fusion with an SRC1 co-activator peptide and in complex with SR12813 (P212121 form) | | Descriptor: | Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1, [2-(3,5-DI-TERT-BUTYL-4-HYDROXY-PHENYL)-1-(DIETHOXY-PHOSPHORYL)-VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | | Authors: | Carivenc, C, Blanc, P, Bourguet, W, Delfosse, V. | | Deposit date: | 2024-07-05 | | Release date: | 2025-02-19 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A two-in-one expression construct for biophysical and structural studies of the human pregnane X receptor ligand-binding domain, a pharmaceutical and environmental target.
Acta Crystallogr.,Sect.F, 81, 2025
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3K19
 | | OmpF porin | | Descriptor: | Outer membrane protein F | | Authors: | Kefala, G, Ahn, C, Krupa, M, Maslennikov, I, Kwiatkowski, W, Choe, S, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2009-09-26 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.79 Å) | | Cite: | Structures of the OmpF porin crystallized in the presence of foscholine-12.
Protein Sci., 19, 2010
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3K1B
 | | Structure of OmpF porin | | Descriptor: | Outer membrane protein F | | Authors: | Kefala, G, Ahn, C, Krupa, M, Maslennikov, I, Kwiatkowski, W, Choe, S, Center for Structures of Membrane Proteins (CSMP) | | Deposit date: | 2009-09-26 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (4.39 Å) | | Cite: | Structures of the OmpF porin crystallized in the presence of foscholine-12.
Protein Sci., 19, 2010
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7Z18
 | | E. coli C-P lyase bound to a PhnK ABC dimer and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnG, ... | | Authors: | Amstrup, S.K, Sofos, N, Karlsen, J.L, Skjerning, R.B, Boesen, T, Enghild, J.J, Hove-Jensen, B, Brodersen, D.E. | | Deposit date: | 2022-02-24 | | Release date: | 2022-05-25 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (1.98 Å) | | Cite: | Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase.
Nat Commun, 14, 2023
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7Z19
 | | E. coli C-P lyase bound to a single PhnK ABC domain | | Descriptor: | Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnG, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnH, ... | | Authors: | Amstrup, S.K, Sofos, N, Karlsen, J.L, Skjerning, R.B, Boesen, T, Enghild, J.J, Hove-Jensen, B, Brodersen, D.E. | | Deposit date: | 2022-02-24 | | Release date: | 2022-05-25 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase.
Nat Commun, 14, 2023
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7Z17
 | | E. coli C-P lyase bound to a PhnK ABC dimer in an open conformation | | Descriptor: | Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnG, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnH, ... | | Authors: | Amstrup, S.K, Sofos, N, Karlsen, J.L, Skjerning, R.B, Boesen, T, Enghild, J.J, Hove-Jensen, B, Brodersen, D.E. | | Deposit date: | 2022-02-24 | | Release date: | 2022-05-25 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase.
Nat Commun, 14, 2023
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7Z15
 | | E. coli C-P lyase bound to a PhnK/PhnL dual ABC dimer and ADP + Pi | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, ... | | Authors: | Amstrup, S.K, Sofos, N, Karlsen, J.L, Skjerning, R.B, Boesen, T, Enghild, J.J, Hove-Jensen, B, Brodersen, D.E. | | Deposit date: | 2022-02-24 | | Release date: | 2022-06-22 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (1.93 Å) | | Cite: | Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase.
Nat Commun, 14, 2023
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6B2Z
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4UFT
 | | Structure of the helical Measles virus nucleocapsid | | Descriptor: | 5'-R(*CP*CP*CP*CP*CP*CP)-3', NUCLEOPROTEIN | | Authors: | Gutsche, I, Desfosses, A, Effantin, G, Ling, W.L, Haupt, M, Ruigrok, R.W.H, Sachse, C, Schoehn, G. | | Deposit date: | 2015-03-19 | | Release date: | 2015-04-29 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Near-Atomic Cryo-Em Structure of the Helical Measles Virus Nucleocapsid.
Science, 348, 2015
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3A06
 | | Crystal structure of DXR from Thermooga maritia, in complex with fosmidomycin and NADPH | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MAGNESIUM ION, ... | | Authors: | Takenoya, M, Ohtaki, A, Noguchi, K, Sasaki, Y, Ohsawa, K, Yohda, M, Yajima, S. | | Deposit date: | 2009-03-02 | | Release date: | 2010-03-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of 1-deoxy-d-xylulose 5-phosphate reductoisomerase from the hyperthermophile Thermotoga maritima for insights into the coordination of conformational changes and an inhibitor binding
J.Struct.Biol., 170, 2010
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4AIC
 | | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin, manganese and NADPH | | Descriptor: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MANGANESE (II) ION, ... | | Authors: | Henriksson, L.M, Unge, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2012-02-09 | | Release date: | 2012-02-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structures of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose- 5-Phosphate Reductoisomerase Provide New Insights Into Catalysis.
J.Biol.Chem., 282, 2007
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1SUL
 | | Crystal Structure of the apo-YsxC | | Descriptor: | GTP-binding protein YsxC | | Authors: | Ruzheinikov, S.N, Das, K.S, Sedelnikova, S.E, Baker, P.J, Artymiuk, P.J, Garcia-Lara, J, Foster, S.J, Rice, D.W. | | Deposit date: | 2004-03-26 | | Release date: | 2004-05-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Analysis of the Open and Closed Conformations of the GTP-binding Protein YsxC from Bacillus subtilis.
J.Mol.Biol., 339, 2004
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1SVI
 | | Crystal Structure of the GTP-binding protein YsxC complexed with GDP | | Descriptor: | GTP-binding protein YSXC, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Ruzheinikov, S.N, Das, S.K, Sedelnikova, S.E, Baker, P.J, Artymiuk, P.J, Garcia-Lara, J, Foster, S.J, Rice, D.W. | | Deposit date: | 2004-03-29 | | Release date: | 2004-05-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Analysis of the Open and Closed Conformations of the GTP-binding Protein YsxC from Bacillus subtilis.
J.Mol.Biol., 339, 2004
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4ZSD
 | | Human Cyclophilin D Complexed with an Inhibitor at room temperature | | Descriptor: | 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F. | | Deposit date: | 2015-05-13 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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4ZSC
 | | Human Cyclophilin D Complexed with an Inhibitor at room temperature | | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | | Authors: | Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F. | | Deposit date: | 2015-05-13 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
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1KEZ
 | | Crystal Structure of the Macrocycle-forming Thioesterase Domain of Erythromycin Polyketide Synthase (DEBS TE) | | Descriptor: | ERYTHRONOLIDE SYNTHASE | | Authors: | Tsai, S.-C, Miercke, L.J.W, Krucinski, J, Gokhale, R, Chen, J.C.-H, Foster, P.G, Cane, D.E, Khosla, C, Stroud, R.M. | | Deposit date: | 2001-11-19 | | Release date: | 2002-01-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the macrocycle-forming thioesterase domain of the erythromycin polyketide synthase: versatility from a unique substrate channel.
Proc.Natl.Acad.Sci.USA, 98, 2001
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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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5I3U
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4WWM
 | | X-ray crystal structure of Sulfolobus solfataricus Urm1 | | Descriptor: | SULFATE ION, Uncharacterized protein | | Authors: | Bray, S.M, Anjum, S.R, Blackwood, J.K, Kilkenny, M.L, Coelho, M.A, Foster, B.M, Pellegrini, L, Robinson, N.P. | | Deposit date: | 2014-11-11 | | Release date: | 2015-09-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Involvement of a eukaryotic-like ubiquitin-related modifier in the proteasome pathway of the archaeon Sulfolobus acidocaldarius.
Nat Commun, 6, 2015
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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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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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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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