5B4U
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![BU of 5b4u by Molmil](/molmil-images/mine/5b4u) | Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor malonate | Descriptor: | 3-hydroxybutyrate dehydrogenase, CHLORIDE ION, MALONIC ACID, ... | Authors: | Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. | Deposit date: | 2016-04-19 | Release date: | 2016-08-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase Acta Crystallogr.,Sect.F, 72, 2016
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5B4V
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![BU of 5b4v by Molmil](/molmil-images/mine/5b4v) | Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate | Descriptor: | 3-hydroxybutyrate dehydrogenase, CHLORIDE ION, METHYLMALONIC ACID, ... | Authors: | Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. | Deposit date: | 2016-04-19 | Release date: | 2016-08-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase Acta Crystallogr.,Sect.F, 72, 2016
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5B4T
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![BU of 5b4t by Molmil](/molmil-images/mine/5b4t) | Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and a substrate D-3-hydroxybutyrate | Descriptor: | (3R)-3-hydroxybutanoic acid, 3-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. | Deposit date: | 2016-04-19 | Release date: | 2016-08-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structural insights into the catalytic reaction trigger and inhibition of D-3-hydroxybutyrate dehydrogenase Acta Crystallogr.,Sect.F, 72, 2016
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5XWG
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![BU of 5xwg by Molmil](/molmil-images/mine/5xwg) | |
5XZ1
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![BU of 5xz1 by Molmil](/molmil-images/mine/5xz1) | |
5Z1I
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![BU of 5z1i by Molmil](/molmil-images/mine/5z1i) | Crystal structure of the protozoal cytoplasmic ribosomal decoding site in complex with 6'-fluoro sisomicin | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(P*GP*CP*GP*UP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Kanazawa, H, Hanessian, S, Kondo, J. | Deposit date: | 2017-12-26 | Release date: | 2018-05-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Structure-Based Design of a Eukaryote-Selective Antiprotozoal Fluorinated Aminoglycoside. ChemMedChem, 13, 2018
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5Z71
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![BU of 5z71 by Molmil](/molmil-images/mine/5z71) | |
5ZEI
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![BU of 5zei by Molmil](/molmil-images/mine/5zei) | Crystal structure of the bacterial A1408me1A-mutant ribosomal decoding site in complex with geneticin | Descriptor: | GENETICIN, RNA (5'-R(P*GP*CP*GP*UP*CP*(1MA)P*CP*GP*UP*CP*GP*AP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3'), RNA (5'-R(P*UP*GP*CP*GP*UP*CP*(1MA)P*CP*GP*UP*CP*GP*AP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Kanazawa, H, Baba, F, Koganei, M, Kondo, J. | Deposit date: | 2018-02-27 | Release date: | 2018-03-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structural basis for the antibiotic resistance conferred by an N1-methylation of A1408 in 16S rRNA. Nucleic Acids Res., 45, 2017
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5Z1H
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![BU of 5z1h by Molmil](/molmil-images/mine/5z1h) | Crystal structure of the bacterial ribosomal decoding site in complex with 6'-fluoro sisomicin | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Kanazawa, H, Hanessian, S, Kondo, J. | Deposit date: | 2017-12-26 | Release date: | 2018-05-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Design of a Eukaryote-Selective Antiprotozoal Fluorinated Aminoglycoside. ChemMedChem, 13, 2018
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5ZEG
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![BU of 5zeg by Molmil](/molmil-images/mine/5zeg) | |
5ZEM
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![BU of 5zem by Molmil](/molmil-images/mine/5zem) | |
5ZEJ
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![BU of 5zej by Molmil](/molmil-images/mine/5zej) | Crystal structure of the bacterial A1408me1A-mutant ribosomal decoding site in complex with paromomycin | Descriptor: | PAROMOMYCIN, RNA (5'-R(P*UP*GP*CP*GP*UP*CP*(1MA)P*CP*GP*UP*CP*GP*AP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Kanazawa, H, Baba, F, Koganei, M, Kondo, J. | Deposit date: | 2018-02-27 | Release date: | 2018-03-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | A structural basis for the antibiotic resistance conferred by an N1-methylation of A1408 in 16S rRNA. Nucleic Acids Res., 45, 2017
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3W8D
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![BU of 3w8d by Molmil](/molmil-images/mine/3w8d) | Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate | Descriptor: | CHLORIDE ION, D-3-hydroxybutyrate dehydrogenase, METHYLMALONIC ACID, ... | Authors: | Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. | Deposit date: | 2013-03-12 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | X-ray diffraction of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and methylmalonate To be Published
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3W8F
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![BU of 3w8f by Molmil](/molmil-images/mine/3w8f) | Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and an inhibitor malonate | Descriptor: | CHLORIDE ION, D-3-hydroxybutyrate dehydrogenase, MALONIC ACID, ... | Authors: | Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. | Deposit date: | 2013-03-12 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | X-ray diffraction of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and malonate To be Published
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3W8E
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![BU of 3w8e by Molmil](/molmil-images/mine/3w8e) | Crystal structure of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and a substrate D-3-hydroxybutyrate | Descriptor: | (3R)-3-hydroxybutanoic acid, D-3-hydroxybutyrate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Kanazawa, H, Tsunoda, M, Hoque, M.M, Suzuki, K, Yamamoto, T, Takenaka, A. | Deposit date: | 2013-03-12 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | High resolution X-ray diffraction of D-3-hydroxybutyrate dehydrogenase from Alcaligenes faecalis complexed with NAD+ and D-3-hydroxybutyrate To be Published
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6JBF
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![BU of 6jbf by Molmil](/molmil-images/mine/6jbf) | Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (axial 4'-F) | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Kanazawa, H, Auffinger, P, Hanessian, S, Kondo, J. | Deposit date: | 2019-01-25 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (axial 4'-F) To Be Published
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6JBG
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![BU of 6jbg by Molmil](/molmil-images/mine/6jbg) | Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (equatorial 4'-F) | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3'), RNA (5'-R(P*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Kanazawa, H, Auffinger, P, Hanessian, S, Kondo, J. | Deposit date: | 2019-01-25 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (axial 4'-F) To Be Published
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2CT9
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![BU of 2ct9 by Molmil](/molmil-images/mine/2ct9) | The crystal structure of calcineurin B homologous proein 1 (CHP1) | Descriptor: | CALCIUM ION, Calcium-binding protein p22 | Authors: | Naoe, Y, Arita, K, Hashimoto, H, Kanazawa, H, Sato, M, Shimizu, T. | Deposit date: | 2005-05-23 | Release date: | 2005-07-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural characterization of calcineurin B homologous protein 1 J.Biol.Chem., 280, 2005
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5CPG
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![BU of 5cpg by Molmil](/molmil-images/mine/5cpg) | R-Hydratase PhaJ1 from Pseudomonas aeruginosa in the unliganded form | Descriptor: | (R)-specific enoyl-CoA hydratase, GLYCEROL | Authors: | Tsuge, T, Sato, S, Hiroe, A, Ishizuka, K, Kanazawa, H, Kanagarajan, S, Shiro, Y, Hisano, T. | Deposit date: | 2015-07-21 | Release date: | 2015-10-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | Contribution of the Distal Pocket Residue to the Acyl-Chain-Length Specificity of (R)-Specific Enoyl-Coenzyme A Hydratases from Pseudomonas spp. Appl.Environ.Microbiol., 81, 2015
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6IUE
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![BU of 6iue by Molmil](/molmil-images/mine/6iue) | DNA helical wire containing Hg(II) | Descriptor: | DNA (5'-D(*TP*TP*TP*GP*C)-3'), MERCURY (II) ION | Authors: | Ono, A, Kanazawa, H, Ito, H, Goto, M, Nakamura, K, Saneyoshi, H, Kondo, J. | Deposit date: | 2018-11-28 | Release date: | 2019-10-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | A Novel DNA Helical Wire Containing HgII-Mediated T:T and T:G Pairs. Angew.Chem.Int.Ed.Engl., 58, 2019
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4PDQ
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![BU of 4pdq by Molmil](/molmil-images/mine/4pdq) | Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neomycin analog | Descriptor: | (2S)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide, MAGNESIUM ION, RNA (5'-*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C-3') | Authors: | Hanessian, S, Saavedra, O.M, Vilchis-Reyes, M.A, Maianti, J.P, Kanazawa, H, Dozzo, P, Feeney, L.A, Armstrong, E.S, Kondo, J. | Deposit date: | 2014-04-21 | Release date: | 2015-01-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis, broad spectrum antibacterial activity, and X-ray co-crystal structure of the decoding bacterial ribosomal A-site with 4'-deoxy-4'-fluoro neomycin analogs Chem Sci, 5, 2014
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6JR4
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![BU of 6jr4 by Molmil](/molmil-images/mine/6jr4) | Crystal structure of a NIR-emitting DNA-stabilized Ag16 nanocluster | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*AP*CP*CP*TP*AP*GP*CP*GP*A)-3'), SILVER ION | Authors: | Kondo, J, Cerretani, C, Kanazawa, H, Vosch, T. | Deposit date: | 2019-04-02 | Release date: | 2019-08-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Crystal structure of a NIR-Emitting DNA-Stabilized Ag16Nanocluster. Angew.Chem.Int.Ed.Engl., 58, 2019
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3WRU
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![BU of 3wru by Molmil](/molmil-images/mine/3wru) | Crystal structure of the bacterial ribosomal decoding site in complex with synthetic aminoglycoside with F-HABA group | Descriptor: | (2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide, POTASSIUM ION, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Maianti, J.P, Kanazawa, H, Dozzo, P, Feeney, L.A, Armstrong, E.S, Kondo, J, Hanessian, S. | Deposit date: | 2014-02-27 | Release date: | 2014-11-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Toxicity Modulation, Resistance Enzyme Evasion, and A-Site X-ray Structure of Broad-Spectrum Antibacterial Neomycin Analogs Acs Chem.Biol., 9, 2014
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6KZX
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![BU of 6kzx by Molmil](/molmil-images/mine/6kzx) | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | Descriptor: | 3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B | Authors: | Mima, M, Takeuchi, T, Ushiyama, F. | Deposit date: | 2019-09-25 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation. Acs Omega, 5, 2020
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6L01
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![BU of 6l01 by Molmil](/molmil-images/mine/6l01) | Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline derivative | Descriptor: | 2-[3-[[8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]phenyl]ethanoic acid, DNA gyrase subunit B | Authors: | Mima, M, Takeuchi, T, Ushiyama, F. | Deposit date: | 2019-09-25 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation. Acs Omega, 5, 2020
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