5WCM
| Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement | 分子名称: | 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION | 著者 | Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S. | 登録日 | 2017-06-30 | 公開日 | 2017-07-19 | 最終更新日 | 2024-10-30 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides. Antimicrob. Agents Chemother., 54, 2010
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6N7F
| 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase from Streptococcus pyogenes in Complex with FAD. | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICARBONATE ION, ... | 著者 | Minasov, G, Shuvalova, L, Shabalin, I.G, Grabowski, M, Olphie, A, Cardona-Correa, A, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-11-27 | 公開日 | 2018-12-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase from Streptococcus pyogenes in Complex with FAD. To Be Published
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4H73
| Thermostable aldehyde dehydrogenase from Pyrobaculum sp. complexed with NADP+ | 分子名称: | Aldehyde dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NICKEL (II) ION | 著者 | Petrova, T, Shabalin, I.G, Bezsudnova, E.Y, Boyko, K.M, Mardanov, A.V, Gumerov, V.M, Ravin, N.V, Popov, V.O. | 登録日 | 2012-09-20 | 公開日 | 2013-10-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Thermostable aldehyde dehydrogenase from Pyrobaculum sp. complexed with NADP+ To be Published
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4HX0
| Crystal structure of a putative nucleotidyltransferase (TM1012) from Thermotoga maritima at 1.87 A resolution | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-BUTANEDIOL, Putative nucleotidyltransferase TM1012, ... | 著者 | Boyko, K.M, Gorbacheva, M.A, Korzhenevskiy, D.A, Lipkin, A.V, Popov, V.O, Kovalchuk, M.V, Shumilin, I.A, Minor, W, Shabalin, I.G, Golubev, A.M. | 登録日 | 2012-11-09 | 公開日 | 2013-09-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Crystal structure of putative nucleotidyltransferase with two MPD molecules in the active site. To be Published
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6EX7
| Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement | 分子名称: | 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ... | 著者 | Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A. | 登録日 | 2017-11-07 | 公開日 | 2017-12-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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4NPO
| Crystal structure of protein with unknown function from Deinococcus radiodurans at P61 spacegroup | 分子名称: | ACETATE ION, ACETYL GROUP, GLYCEROL, ... | 著者 | Boyko, K.M, Gorbacheva, M.A, Rakitina, T.V, Korgenevsky, D.A, Shabalin, I.G, Shumilin, I.A, Dorovatovsky, P.V, Lipkin, A.V, Popov, V.O. | 登録日 | 2013-11-22 | 公開日 | 2013-12-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Crystal structure of protein with unknown function at P61 spacegroup To be Published
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4PMJ
| Crystal structure of a putative oxidoreductase from Sinorhizobium meliloti 1021 in complex with NADP | 分子名称: | GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative oxidoreductase | 著者 | Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Szlachta, K, Zimmerman, M.D, Hillerich, B.S, Gizzi, A, Toro, R, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2014-05-21 | 公開日 | 2014-06-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of a putative oxidoreductase from Sinorhizobiummeliloti 1021 in complex with NADP to be published
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4N18
| Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase family protein from Klebsiella pneumoniae 342 | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CITRIC ACID, D-isomer specific 2-hydroxyacid dehydrogenase family protein | 著者 | Bacal, P, Shabalin, I.G, Cooper, D.R, Majorek, K.A, Osinski, T, Hillerich, B.S, Hammonds, J, Nawar, A, Stead, M, Chowdhury, S, Gizzi, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2013-10-03 | 公開日 | 2013-10-16 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase family protein from Klebsiella pneumoniae 342 To be Published
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4QGM
| Acireductone dioxygenase from Bacillus anthracis with cadmium ion in active center | 分子名称: | Acireductone dioxygenase, CADMIUM ION | 著者 | Milaczewska, A.M, Chruszcz, M, Shabalin, I.G, Cooper, D.R, Borowski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2014-05-23 | 公開日 | 2014-06-18 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | 主引用文献 | Acireductone dioxygenase from Bacillus anthracis with cadmium ion in active center To be Published
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5HOZ
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5IIU
| Crystal structure of Equine Serum Albumin in the presence of 10 mM zinc at pH 6.9 | 分子名称: | SULFATE ION, Serum albumin, ZINC ION | 著者 | Handing, K.B, Shabalin, I.G, Cooper, D.R, Cymborowski, M.T, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2016-03-01 | 公開日 | 2016-03-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins. Chem Sci, 7, 2016
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5IJF
| Crystal structure of Human Serum Albumin in the presence of 0.5 mM zinc at pH 9.0 | 分子名称: | Serum albumin, UNKNOWN LIGAND, ZINC ION | 著者 | Handing, K.B, Shabalin, I.G, Cooper, D.R, Grabowski, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2016-03-02 | 公開日 | 2016-03-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins. Chem Sci, 7, 2016
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5IIH
| Crystal structure of Equine Serum Albumin in the presence of 2.5 mM zinc at pH 7.4 | 分子名称: | SULFATE ION, Serum albumin, ZINC ION | 著者 | Handing, K.B, Shabalin, I.G, Cooper, D.R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2016-03-01 | 公開日 | 2016-03-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins. Chem Sci, 7, 2016
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5IJE
| Crystal structure of Equine Serum Albumin in the presence of 30 mM zinc at pH 7.4 | 分子名称: | SULFATE ION, Serum albumin, ZINC ION | 著者 | Handing, K.B, Shabalin, I.G, Cooper, D.R, Szlachta, K, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2016-03-01 | 公開日 | 2016-04-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins. Chem Sci, 7, 2016
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5IJ5
| Crystal structure of Equine Serum Albumin in the presence of 50 mM zinc at pH 4.5 | 分子名称: | GLYCEROL, Serum albumin, ZINC ION | 著者 | Handing, K.B, Majorek, K.A, Shabalin, I.G, Cymborowski, M.T, Zheng, H, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2016-03-01 | 公開日 | 2016-03-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins. Chem Sci, 7, 2016
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5IIX
| Crystal structure of Equine Serum Albumin in the presence of 15 mM zinc at pH 6.5 | 分子名称: | SULFATE ION, Serum albumin, UNKNOWN LIGAND, ... | 著者 | Handing, K.B, Shabalin, I.G, Cooper, D.R, Gasiorowska, O.A, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2016-03-01 | 公開日 | 2016-03-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins. Chem Sci, 7, 2016
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6CHK
| Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound TRIS | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SODIUM ION, ... | 著者 | Patskovsky, Y, Toro, R, Shabalin, I.G, Kowiel, M, Porebski, P.J, Minor, W, Jaskolski, M, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative, E.F.I. | 登録日 | 2018-02-22 | 公開日 | 2018-03-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Automatic recognition of ligands in electron density by machine learning. Bioinformatics, 35, 2019
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6CIA
| Crystal structure of aldo-keto reductase from Klebsiella pneumoniae in complex with NADPH. | 分子名称: | Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Lipowska, J, Leung, E.S, Shabalin, I.G, Grabowski, M, Almo, S.C, Satchell, K.J, Joachimiak, A, Lewinski, K, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-02-23 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of of aldo-keto reductase from Klebsiella pneumoniae in complex with NADPH. to be published
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6CI6
| Crystal structure of equine serum albumin in complex with nabumetone | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Serum albumin, ... | 著者 | Venkataramany, B.S, Czub, M.P, Shabalin, I.G, Handing, K.B, Steen, E.H, Cooper, D.R, Joachimiak, A, Satchell, K.J.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-02-23 | 公開日 | 2018-03-07 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma. J.Med.Chem., 2020
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6CTY
| Crystal structure of dihydroorotase pyrC from Yersinia pestis in complex with zinc and malate at 2.4 A resolution | 分子名称: | D-MALATE, Dihydroorotase, ZINC ION | 著者 | Lipowska, J, Shabalin, I.G, Winsor, J, Woinska, M, Cooper, D.R, Kwon, K, Shuvalova, L, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-03-23 | 公開日 | 2018-04-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Pyrimidine biosynthesis in pathogens - Structures and analysis of dihydroorotases from Yersinia pestis and Vibrio cholerae. Int.J.Biol.Macromol., 136, 2019
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5N0H
| Crystal structure of NDM-1 in complex with hydrolyzed meropenem - new refinement | 分子名称: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, King, D.T, Strynadka, N.C.J. | 登録日 | 2017-02-03 | 公開日 | 2017-04-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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5N0I
| Crystal structure of NDM-1 in complex with beta-mercaptoethanol - new refinement | 分子名称: | BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, King, D.T, Strynadka, N.C.J. | 登録日 | 2017-02-03 | 公開日 | 2017-04-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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5NBK
| NDM-1 metallo-beta-lactamase: a parsimonious interpretation of the diffraction data | 分子名称: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Metallo-beta-lactamase type 2, ... | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | 登録日 | 2017-03-02 | 公開日 | 2018-10-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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5O2E
| Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement | 分子名称: | (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | 登録日 | 2017-05-20 | 公開日 | 2018-12-26 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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5O2F
| Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | 登録日 | 2017-05-20 | 公開日 | 2018-12-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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