6XK0
 
 | | Albumin-dexamethasone complex | | Descriptor: | Albumin, CITRATE ANION, DEXAMETHASONE, ... | | Authors: | Czub, M.P, Majorek, K.A, Shabalin, I.G, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2020-06-24 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy.
Iucrj, 7, 2020
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4Z0P
 | | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADPH and oxalate | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sroka, P, Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Porebski, P.J, Hillerich, B.S, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-03-26 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
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4IIN
 | | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 complexed with NAD+ | | Descriptor: | 3-ketoacyl-acyl carrier protein reductase (FabG), ACETATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Hou, J, Osinski, T, Zheng, H, Shumilin, I, Shabalin, I, Shatsman, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-12-20 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 complexed with NAD+
To be Published
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4IJK
 | | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 | | Descriptor: | 3-ketoacyl-acyl carrier protein reductase (FabG), SODIUM ION | | Authors: | Hou, J, Osinski, T, Zheng, H, Shumilin, I, Shabalin, I.G, Shatsman, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-12-21 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695
To be Published
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4IIV
 | | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Escherichia coli strain CFT073 complexed with NADP+ at 2.5 A resolution | | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hou, J, Osinski, T, Zheng, H, Shumilin, I, Shabalin, I, Shatsman, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-12-20 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Escherichia coli strain CFT073 complexed with NADP+ at 2.5 A resolution
To be Published
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4IIU
 | | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Escherichia coli strain CFT073 complexed with NADP+ at 2.1 A resolution | | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hou, J, Osinski, T, Zheng, H, Shumilin, I, Shabalin, I, Shatsman, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-12-20 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Escherichia coli strain CFT073 complexed with NADP+ at 2.1 A resolution
To be Published
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4IW7
 | | Crystal structure of 8-amino-7-oxononanoate synthase (bioF) from Francisella tularensis. | | Descriptor: | 8-amino-7-oxononanoate synthase | | Authors: | Newcomb, W, Niedzialkowska, E, Porebski, P.J, Grimshaw, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-01-23 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of 8-amino-7-oxononanoate synthase (bioF) from Francisella tularensis.
To be Published
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6E5Z
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4WJZ
 | | Crystal structure of beta-ketoacyl-acyl carrier protein reductase (FabG)(G141A) from Vibrio cholerae | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase FabG, PHOSPHATE ION | | Authors: | Hou, J, Zheng, H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-10-01 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae.
J.Bacteriol., 198, 2015
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6U60
 | | Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with NAD and L-tyrosine | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, Prephenate dehydrogenase, ... | | Authors: | Shabalin, I.G, Hou, J, Kutner, J, Grimshaw, S, Christendat, D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-08-28 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
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4X9O
 | | Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae soaked with octanoyl-CoA: conformational changes without clearly bound substrate | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2 | | Authors: | Hou, J, Cooper, D.R, Shabalin, I.G, Grabowski, M, Shumilin, I, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-12-11 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and enzymatic studies of beta-ketoacyl-(acyl carrier protein) synthase III (FabH) from Vibrio cholerae
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 | | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ... | | Authors: | 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. | | Deposit date: | 2017-11-07 | | Release date: | 2017-12-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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4YEN
 | | Room temperature X-ray diffraction studies of cisplatin binding to HEWL in DMSO media after 14 months of crystal storage - new refinement | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2015-02-24 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
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4YEO
 | | Triclinic HEWL co-crystallised with cisplatin, studied at a data collection temperature of 150K - new refinement | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cisplatin, ... | | Authors: | Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2015-02-24 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Crystallogr.,Sect.D, 71, 2015
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6G81
 | | Solution structure of the Ni metallochaperone HypA from Helicobacter pylori | | Descriptor: | Hydrogenase maturation factor HypA, ZINC ION | | Authors: | Spronk, C.A.E.M, Zerko, S, Gorka, M, Kozminski, W, Bardiaux, B, Zambelli, B, Musiani, F, Piccioli, M, Hu, H, Maroney, M, Ciurli, S. | | Deposit date: | 2018-04-07 | | Release date: | 2018-10-10 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structure and dynamics of Helicobacter pylori nickel-chaperone HypA: an integrated approach using NMR spectroscopy, functional assays and computational tools.
J. Biol. Inorg. Chem., 23, 2018
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4WRR
 | | A putative diacylglycerol kinase from Bacillus anthracis str. Sterne | | Descriptor: | MAGNESIUM ION, putative diacylglycerol kinase | | Authors: | Hou, J, Zheng, H, Cooper, D.R, Zimmerman, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-10-24 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal structure of a putative diacylglycerol kinase from Bacillus anthracis str. Sterne
to be published
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4WK6
 | | Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (FabG) (G141A) from Vibrio cholerae in complex with NADPH | | Descriptor: | 3-oxoacyl-[acyl-carrier protein] reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL | | Authors: | Hou, J, Zheng, H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-10-01 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae.
J.Bacteriol., 198, 2015
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4I08
 | | Crystal structure of beta-ketoacyl-acyl carrier protein reductase (FabG) from Vibrio cholerae in complex with NADPH | | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hou, J, Chruszcz, M, Zheng, H, Osinski, T, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-11-16 | | Release date: | 2012-12-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.063 Å) | | Cite: | Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae.
J.Bacteriol., 198, 2015
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4IQG
 | | Crystal structure of BPRO0239 oxidoreductase from Polaromonas sp. JS666 in NADP bound form | | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, GLYCEROL, ... | | Authors: | Niedzialkowska, E, Majorek, K.A, Porebski, P.J, Al Obaidi, N, Hammonds, J, Hillerich, B, Seidel, R, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-01-11 | | Release date: | 2013-01-30 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of oxidoreductase from Polaromonas sp. in NADP bound form
To be Published
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2PAR
 | | Crystal structure of the 5'-deoxynucleotidase YfbR mutant E72A complexed with Co(2+) and TMP | | Descriptor: | 5'-deoxynucleotidase YfbR, COBALT (II) ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zimmerman, M.D, Proudfoot, M, Yakunin, A, Minor, W. | | Deposit date: | 2007-03-27 | | Release date: | 2008-03-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insight into the mechanism of substrate specificity and catalytic activity of an HD-domain phosphohydrolase: the 5'-deoxyribonucleotidase YfbR from Escherichia coli.
J.Mol.Biol., 378, 2008
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2PAU
 | | Crystal structure of the 5'-deoxynucleotidase YfbR mutant E72A complexed with Co(2+) and dAMP | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5'-deoxynucleotidase YfbR, COBALT (II) ION, ... | | Authors: | Zimmerman, M.D, Proudfoot, M, Yakunin, A, Minor, W. | | Deposit date: | 2007-03-27 | | Release date: | 2008-03-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insight into the mechanism of substrate specificity and catalytic activity of an HD-domain phosphohydrolase: the 5'-deoxyribonucleotidase YfbR from Escherichia coli.
J.Mol.Biol., 378, 2008
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2PAQ
 | | Crystal structure of the 5'-deoxynucleotidase YfbR | | Descriptor: | 5'-deoxynucleotidase YfbR | | Authors: | Zimmerman, M.D, Chruszcz, M, Cymborowski, M, Kudritska, M, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-03-27 | | Release date: | 2007-04-10 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insight into the mechanism of substrate specificity and catalytic activity of an HD-domain phosphohydrolase: the 5'-deoxyribonucleotidase YfbR from Escherichia coli.
J.Mol.Biol., 378, 2008
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4EUY
 | | Crystal structure of thioredoxin-like protein BCE_0499 from Bacillus cereus ATCC 10987 | | Descriptor: | Uncharacterized protein | | Authors: | Shabalin, I.G, Kagan, O, Chruszcz, M, Grabowski, M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-04-25 | | Release date: | 2012-05-16 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of thioredoxin-like protein BCE_0499 from
Bacillus cereus
To be Published
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4XAP
 | | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 | | Descriptor: | Aldo-keto reductase | | Authors: | Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-12-15 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021
to be published
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8EW4
 | | Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 1 | | Descriptor: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | | Authors: | Gucwa, M, Cooper, D.R, Unciano, J, Lea, K, Kim, L, Lenkiewicz, J, Starban, I, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-10-21 | | Release date: | 2022-11-09 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids
Chem Sci, 14, 2023
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