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5WCM
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BU of 5wcm by Molmil
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
6N7F
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BU of 6n7f by Molmil
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
4H73
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BU of 4h73 by Molmil
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
4HX0
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BU of 4hx0 by Molmil
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
6EX7
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BU of 6ex7 by Molmil
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
4NPO
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BU of 4npo by Molmil
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
4PMJ
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BU of 4pmj by Molmil
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
4N18
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BU of 4n18 by Molmil
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
4QGM
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BU of 4qgm by Molmil
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
5HOZ
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BU of 5hoz by Molmil
Crystal structure of Equine Serum Albumin (ESA) at pH 9.0
分子名称: Serum albumin
著者Handing, K.B, Shabalin, I.G, Minor, W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2016-01-19
公開日2016-02-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of Equine Serum Albumin (ESA) at pH 9.0
To Be Published
5IIU
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BU of 5iiu by Molmil
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
5IJF
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BU of 5ijf by Molmil
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
5IIH
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BU of 5iih by Molmil
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
5IJE
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BU of 5ije by Molmil
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
5IJ5
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BU of 5ij5 by Molmil
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
5IIX
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BU of 5iix by Molmil
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
6CHK
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BU of 6chk by Molmil
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
6CIA
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BU of 6cia by Molmil
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
6CI6
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BU of 6ci6 by Molmil
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
6CTY
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BU of 6cty by Molmil
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
5N0H
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BU of 5n0h by Molmil
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
5N0I
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BU of 5n0i by Molmil
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
5NBK
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BU of 5nbk by Molmil
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
5O2E
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BU of 5o2e by Molmil
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
5O2F
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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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