8J90
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![BU of 8j90 by Molmil](/molmil-images/mine/8j90) | Cryo-EM structure of DDM1-nucleosome complex | Descriptor: | ATP-dependent DNA helicase DDM1, DNA (169-MER), HTA6, ... | Authors: | Osakabe, A, Takizawa, Y, Horikoshi, N, Hatazawa, S, Berger, F, Kurumizaka, H, Kakutani, T. | Deposit date: | 2023-05-02 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.71 Å) | Cite: | Molecular and structural basis of the chromatin remodeling activity by Arabidopsis DDM1 Nat Commun, 2024
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8J92
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![BU of 8j92 by Molmil](/molmil-images/mine/8j92) | Cryo-EM structure of nucleosome containing Arabidopsis thaliana H2A.W | Descriptor: | DNA (169-MER), HTA6, HTB9, ... | Authors: | Osakabe, A, Takizawa, Y, Horikoshi, N, Hatazawa, S, Berger, F, Kurumizaka, H, Kakutani, T. | Deposit date: | 2023-05-02 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular and structural basis of the chromatin remodeling activity by Arabidopsis DDM1 Nat Commun, 2024
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2C13
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![BU of 2c13 by Molmil](/molmil-images/mine/2c13) | 5-hydroxy-levulinic acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | Descriptor: | CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | Deposit date: | 2005-09-11 | Release date: | 2006-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. Biochemistry, 45, 2006
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2BQV
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![BU of 2bqv by Molmil](/molmil-images/mine/2bqv) | HIV-1 protease in complex with inhibitor AHA455 | Descriptor: | 6-AMINO HEXANOIC ACID, HIV-1 PROTEASE | Authors: | Unge, T, Ekegren, J.K, Schenk, H.V, Zreik Safa, M, Wallberg, H, Samuelsson, B, Hallberg, A. | Deposit date: | 2005-04-28 | Release date: | 2005-12-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A New Class of HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimicking Scaffold. J.Med.Chem., 48, 2005
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2C15
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![BU of 2c15 by Molmil](/molmil-images/mine/2c15) | 5-(4-Carboxy-2-oxo-butoxy)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | Descriptor: | DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | Deposit date: | 2005-09-11 | Release date: | 2006-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. Biochemistry, 45, 2006
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2Y6J
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![BU of 2y6j by Molmil](/molmil-images/mine/2y6j) | X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | Descriptor: | CALCIUM ION, XYLANASE | Authors: | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | Deposit date: | 2011-01-24 | Release date: | 2012-03-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules. Glycobiology, 22, 2012
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8OKV
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![BU of 8okv by Molmil](/molmil-images/mine/8okv) | lipoprotein BT2095 from Bacteroides thetaiotamicron bound to cyanocobalamin CnCbl | Descriptor: | CYANOCOBALAMIN, Putative surface layer protein | Authors: | Javier Abellon-Ruiz, J, van den Berg, B, Jana, K, Kleinekathofer, U, Silale, A, Frey, A.M, Basle, A, Trost, M. | Deposit date: | 2023-03-29 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B 12 uptake in gut Bacteroides. Nat Commun, 14, 2023
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2CEM
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![BU of 2cem by Molmil](/molmil-images/mine/2cem) | P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold | Descriptor: | POL PROTEIN, {(1S)-1-[N'-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N'-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC ACID METHYL ESTER | Authors: | Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T. | Deposit date: | 2006-02-08 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold. J.Med.Chem., 49, 2006
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2CEJ
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![BU of 2cej by Molmil](/molmil-images/mine/2cej) | P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold | Descriptor: | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE, POL PROTEIN | Authors: | Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T. | Deposit date: | 2006-02-07 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold J.Med.Chem., 49, 2006
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1Q5K
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![BU of 1q5k by Molmil](/molmil-images/mine/1q5k) | crystal structure of Glycogen synthase kinase 3 in complexed with inhibitor | Descriptor: | Glycogen synthase kinase-3 beta, N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA | Authors: | Bhat, R, Xue, Y, Berg, S, Hellberg, S, Ormo, M, Nilsson, Y, Radesater, A.C, Jerning, E, Markgren, P.O, Borgegard, T, Nylof, M, Gimenez-Cassina, A, Hernandez, F, Lucas, J.J, Diaz-Mido, J, Avila, J. | Deposit date: | 2003-08-08 | Release date: | 2004-08-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural insights and biological effects of glycogen synthase kinase 3-specific inhibitor AR-A014418. J.Biol.Chem., 278, 2003
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3JXU
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![BU of 3jxu by Molmil](/molmil-images/mine/3jxu) | Crystal structure of the human 70kDa heat shock protein 1A (Hsp70-1) ATPase domain in complex with ADP and inorganic phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1, MAGNESIUM ION, ... | Authors: | Wisniewska, M.M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-21 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78 Plos One, 5, 2010
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2C19
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![BU of 2c19 by Molmil](/molmil-images/mine/2c19) | 5-(4-Carboxy-2-oxo-butylsulfanyl)-4-oxo-pentanoic acid acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | Descriptor: | DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION, SODIUM ION | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | Deposit date: | 2005-09-11 | Release date: | 2006-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. Biochemistry, 45, 2006
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8OJ6
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![BU of 8oj6 by Molmil](/molmil-images/mine/8oj6) | HSV-1 DNA polymerase-processivity factor complex in pre-translocation state | Descriptor: | DNA (22-MER), DNA (48-MER), DNA polymerase catalytic subunit, ... | Authors: | Gustavsson, E, Grunewald, K, Elias, P, Hallberg, B.M. | Deposit date: | 2023-03-24 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.41 Å) | Cite: | Dynamics of the Herpes simplex virus DNA polymerase holoenzyme during DNA synthesis and proof-reading revealed by Cryo-EM. Nucleic Acids Res., 52, 2024
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8OJD
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![BU of 8ojd by Molmil](/molmil-images/mine/8ojd) | HSV-1 DNA polymerase beta-hairpin loop | Descriptor: | CALCIUM ION, DNA (47-MER), DNA (68-MER), ... | Authors: | Gustavsson, E, Grunewald, K, Elias, P, Hallberg, B.M. | Deposit date: | 2023-03-24 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | Dynamics of the Herpes simplex virus DNA polymerase holoenzyme during DNA synthesis and proof-reading revealed by Cryo-EM. Nucleic Acids Res., 52, 2024
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8BI8
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![BU of 8bi8 by Molmil](/molmil-images/mine/8bi8) | Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase | Descriptor: | Nitric oxide synthase, brain | Authors: | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction. J.Med.Chem., 66, 2023
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8OJ7
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![BU of 8oj7 by Molmil](/molmil-images/mine/8oj7) | HSV-1 DNA polymerase-processivity factor complex in halted elongation state | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (53-MER), DNA (67-MER), ... | Authors: | Gustavsson, E, Grunewald, K, Elias, P, Hallberg, B.M. | Deposit date: | 2023-03-24 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | Dynamics of the Herpes simplex virus DNA polymerase holoenzyme during DNA synthesis and proof-reading revealed by Cryo-EM. Nucleic Acids Res., 52, 2024
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8OJB
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![BU of 8ojb by Molmil](/molmil-images/mine/8ojb) | HSV-1 DNA polymerase-processivity factor complex in exonuclease state active site | Descriptor: | CALCIUM ION, DNA (47-MER), DNA polymerase catalytic subunit | Authors: | Gustavsson, E, Grunewald, K, Elias, P, Hallberg, B.M. | Deposit date: | 2023-03-24 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | Dynamics of the Herpes simplex virus DNA polymerase holoenzyme during DNA synthesis and proof-reading revealed by Cryo-EM. Nucleic Acids Res., 52, 2024
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8BI9
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![BU of 8bi9 by Molmil](/molmil-images/mine/8bi9) | Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase (T112W/T116E variant) | Descriptor: | Nitric oxide synthase, brain, TERTIARY-BUTYL ALCOHOL | Authors: | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction. J.Med.Chem., 66, 2023
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8OJC
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![BU of 8ojc by Molmil](/molmil-images/mine/8ojc) | HSV-1 DNA polymerase active site in alternative exonuclease state | Descriptor: | CALCIUM ION, DNA (47-MER), DNA polymerase catalytic subunit | Authors: | Gustavsson, E, Grunewald, K, Elias, P, Hallberg, B.M. | Deposit date: | 2023-03-24 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.08 Å) | Cite: | Dynamics of the Herpes simplex virus DNA polymerase holoenzyme during DNA synthesis and proof-reading revealed by Cryo-EM. Nucleic Acids Res., 52, 2024
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8OJA
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![BU of 8oja by Molmil](/molmil-images/mine/8oja) | HSV-1 DNA polymerase-processivity factor complex in exonuclease state | Descriptor: | CALCIUM ION, DNA (47-MER), DNA (68-MER), ... | Authors: | Gustavsson, E, Grunewald, K, Elias, P, Hallberg, B.M. | Deposit date: | 2023-03-24 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (1.87 Å) | Cite: | Dynamics of the Herpes simplex virus DNA polymerase holoenzyme during DNA synthesis and proof-reading revealed by Cryo-EM. Nucleic Acids Res., 52, 2024
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5X2D
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![BU of 5x2d by Molmil](/molmil-images/mine/5x2d) | |
2ODT
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![BU of 2odt by Molmil](/molmil-images/mine/2odt) | Structure of human Inositol 1,3,4-trisphosphate 5/6-kinase | Descriptor: | Inositol-tetrakisphosphate 1-kinase | Authors: | Busam, R.D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Hammarstrom, M, Holmberg, S.L, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Sundstrom, M, Uppenberg, J, Van Den Berg, S, Weigelt, J, Persson, C, Thorsell, A.G, Hallberg, B.M, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-26 | Release date: | 2007-02-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure of human Inositol 1,3,4-trisphosphate 5/6-kinase To be Published
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2C18
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![BU of 2c18 by Molmil](/molmil-images/mine/2c18) | 5-(4-Carboxy-2-oxo-butane-1-sulfonyl)-4-oxo-pentanoic acid bound to Porphobilinogen synthase from Pseudomonas aeruginosa | Descriptor: | CHLORIDE ION, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, MAGNESIUM ION, ... | Authors: | Frere, F, Nentwich, M, Gacond, S, Heinz, D.W, Neier, R, Frankenberg-Dinkel, N. | Deposit date: | 2005-09-11 | Release date: | 2006-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. Biochemistry, 45, 2006
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2CEN
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![BU of 2cen by Molmil](/molmil-images/mine/2cen) | P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold | Descriptor: | POL PROTEIN, {(1S)-1-[N'-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N'-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC ACID METHYL ESTER | Authors: | Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T. | Deposit date: | 2006-02-08 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold. J.Med.Chem., 49, 2006
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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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