6CIA
 
 | | Crystal structure of aldo-keto reductase from Klebsiella pneumoniae in complex with NADPH. | | Descriptor: | Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | 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) | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of of aldo-keto reductase from Klebsiella pneumoniae in complex with NADPH.
to be published
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6CXD
 | | Crystal structure of peptidase B from Yersinia pestis CO92 at 2.75 A resolution | | Descriptor: | Peptidase B, SULFATE ION | | Authors: | Woinska, M, Lipowska, J, Shabalin, I.G, Cymborowski, M, Grimshaw, S, Winsor, J, Shuvalova, L, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-04-02 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.75 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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4ZQB
 | | Crystal structure of NADP-dependent dehydrogenase from Rhodobactersphaeroides in complex with NADP and sulfate | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Kowiel, M, Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Porebski, P.J, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-05-08 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of NADP-dependent dehydrogenase from Rhodobactersphaeroides in complex with NADP and sulfate
to be published
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4JRM
 | | Crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Vibrio Cholerae (space group P212121) at 1.75 Angstrom | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, ACETATE ION, GLYCEROL | | Authors: | Hou, J, Chruszcz, M, Shabalin, I.G, Zheng, H, Cooper, D.R, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-03-21 | | Release date: | 2013-04-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Vibrio cholerae (space group P43) at 2.2 Angstrom
To be Published
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5TX7
 | | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Desulfovibrio vulgaris | | Descriptor: | D-isomer specific 2-hydroxyacid dehydrogenase family protein, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL | | Authors: | Czub, M.P, Shabalin, I.G, Gasiorowska, O.A, Handing, K.B, Kutner, J, Cymborowski, M.T, Hennig, P.M, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2016-11-15 | | Release date: | 2016-12-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Desulfovibrio vulgaris
to be published
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5TSD
 | | Crystal structure of NADPH-dependent 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADPH and oxalate | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALIC ACID, Probable hydroxyacid dehydrogenase protein | | Authors: | Matelska, D, Shabalin, I.G, Kutner, J, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2016-10-28 | | Release date: | 2016-11-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of NADPH-dependent 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADPH and oxalate
to be published
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4KJM
 | | Crystal structure of the Staphylococcus aureus protein (NP_646141.1, domain 3912-4037) similar to streptococcal adhesins emb and ebhA/ebhB | | Descriptor: | ACETATE ION, CHLORIDE ION, Extracellular matrix-binding protein ebh, ... | | Authors: | Cymborowski, M, Shabalin, I.G, Joachimiak, G, Chruszcz, M, Gornicki, P, Zhang, R, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-03 | | Release date: | 2013-05-29 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the Staphylococcus aureus protein (NP_646141.1, domain 3912-4037) similar to streptococcal adhesins emb and ebhA/ebhB
To be Published
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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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5BP7
 | | Crystal structure of SAM-dependent methyltransferase from Geobacter sulfurreducens in complex with S-Adenosyl-L-homocysteine | | Descriptor: | CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, SAM-dependent methyltransferase | | Authors: | Kutner, J, Shabalin, I.G, Mason, D.V, Handing, K.B, Gasiorowska, O.A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-05-27 | | Release date: | 2015-06-10 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of SAM-dependent methyltransferase from Geobacter sulfurreducens in complex with S-Adenosyl-L-homocysteine
to be published
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5BXY
 | | Crystal structure of RNA methyltransferase from Salinibacter ruber in complex with S-Adenosyl-L-homocysteine | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, RNA methyltransferase, ... | | Authors: | Handing, K.B, LaRowe, C, Shabalin, I.G, Stead, M, Hillerich, B.S, Ahmed, M, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-06-09 | | Release date: | 2015-07-01 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of RNA methylase family protein from Salinibacterruber in complex with S-Adenosyl-L-homocysteine.
to be published
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5EPE
 | | Crystal structure of SAM-dependent methyltransferase from Thiobacillus denitrificans in complex with S-Adenosyl-L-homocysteine | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SAM-dependent methyltransferase, SODIUM ION | | Authors: | LaRowe, C, Shabalin, I.G, Kutner, J, Handing, K.B, Stead, M, Hillerich, B.S, Ahmed, M, Seidel, R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-11-11 | | Release date: | 2015-11-25 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of SAM-dependent methyltransferase from Thiobacillus denitrificans in complex with S-Adenosyl-L-homocysteine
to be published
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5HOZ
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5IJF
 | | Crystal structure of Human Serum Albumin in the presence of 0.5 mM zinc at pH 9.0 | | Descriptor: | Serum albumin, UNKNOWN LIGAND, ZINC ION | | Authors: | Handing, K.B, Shabalin, I.G, Cooper, D.R, Grabowski, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2016-03-02 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | 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 | | Descriptor: | SULFATE ION, Serum albumin, ZINC ION | | Authors: | Handing, K.B, Shabalin, I.G, Cooper, D.R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2016-03-01 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins.
Chem Sci, 7, 2016
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4ZNZ
 | | Crystal structure of Escherichia coli carbonic anhydrase (YadF) in complex with Zn - artifact of purification | | Descriptor: | Carbonic anhydrase, ZINC ION | | Authors: | Gasiorowska, O.A, Niedzialkowska, E, Porebski, P.J, Handing, K.B, Shabalin, I.G, Cymborowski, M.T, Minor, W. | | Deposit date: | 2015-05-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Protein purification and crystallization artifacts: The tale usually not told.
Protein Sci., 25, 2016
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5BP9
 | | Crystal structure of SAM-dependent methyltransferase from Bacteroides fragilis in complex with S-Adenosyl-L-homocysteine | | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Putative methyltransferase protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Cymborowski, M.T, Mason, D.V, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-05-27 | | Release date: | 2015-06-10 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of SAM-dependent methyltransferase fromBacteroides fragilis in complex with S-Adenosyl-L-homocysteine
to be published
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5BQF
 | | Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADP, HEPES and L(+)-tartaric acid | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Langner, K.M, Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Stead, M, Hillerich, B.S, Chowdhury, S, Hammonds, J, Zimmerman, M.D, Al Obaidi, N, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-05-29 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADP, HEPES and L-tartaric acid
to be published
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5C5I
 | | Crystal structure of NADP-dependent dehydrogenase from Rhodobacter sphaeroides | | Descriptor: | NADP-dependent dehydrogenase | | Authors: | Kowiel, M, Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Porebski, P.J, Cymborowski, M, Al Obaidi, N.F, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-06-19 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of NADP-dependent dehydrogenase from Rhodobacter sphaeroides
to be published
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5C7H
 | | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 in complex with NADPH | | Descriptor: | Aldo-keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Gasiorowska, O.A, Shabalin, I.G, Handing, K.B, Seidel, R, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-06-24 | | Release date: | 2015-07-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of aldo-keto reductase from Sinorhizobium meliloti 1021 in complex with NADPH
to be published
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6BII
 | | Crystal Structure of Pyrococcus yayanosii Glyoxylate Hydroxypyruvate Reductase in complex with NADP and malonate (re-refinement of 5AOW) | | Descriptor: | GLYCEROL, Glyoxylate reductase, MALONATE ION, ... | | Authors: | Lassalle, L, Shabalin, I.G, Girard, E, Minor, W. | | Deposit date: | 2017-11-02 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New insights into the mechanism of substrates trafficking in Glyoxylate/Hydroxypyruvate reductases.
Sci Rep, 6, 2016
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6CNY
 | | 2.3 Angstrom Structure of Phosphodiesterase treated Vivid (complex with FMN) | | Descriptor: | FLAVIN MONONUCLEOTIDE, Vivid PAS protein VVD | | Authors: | Zoltowski, B.D, Shabalin, I.G, Kowiel, M, Porebski, P.J, Crane, B.R, Bilwes, A.M. | | Deposit date: | 2018-03-09 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational switching in the fungal light sensor Vivid.
Science, 316, 2007
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6CIG
 | | CRYSTAL STRUCTURE ANALYSIS OF SELENOMETHIONINE SUBSTITUTED ISOFLAVONE O-METHYLTRANSFERASE | | Descriptor: | GLYCEROL, Isoflavone-7-O-methyltransferase 8, N-(TRIS(HYDROXYMETHYL)METHYL)-3-AMINOPROPANESULFONIC ACID, ... | | Authors: | Zubieta, C, Dixon, R.A, Shabalin, I.G, Kowiel, M, Porebski, P.J, Noel, J.P. | | Deposit date: | 2018-02-23 | | Release date: | 2018-03-07 | | Last modified: | 2022-03-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structures of two natural product methyltransferases reveal the basis for substrate specificity in plant O-methyltransferases.
Nat. Struct. Biol., 8, 2001
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7D1M
 | | CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fu, L.F, Gilski, M, Shabalin, I, Gao, G.F, Qi, J.X. | | Deposit date: | 2020-09-14 | | Release date: | 2020-10-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
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4WY2
 | | Crystal structure of universal stress protein E from Proteus mirabilis in complex with UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetyl-alpha-glucosamine | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Shumilin, I.A, Shabalin, I.G, Handing, K.B, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-11-15 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of universal stress protein E from Proteus mirabilis incomplex withUDP-3-O-[(3R)-3-hydroxytetradecanoyl]-N-acetyl-alpha-glucosamine
to be published
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4XK4
 | | E. coli transcriptional regulator RUTR with dihydrouracil | | Descriptor: | DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE, HTH-type transcriptional regulator RutR | | Authors: | Shumilin, I.A, Cooper, D.R, Shabalin, I.G, Grabowski, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-01-09 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | E. COLI TRANSCRIPTIONAL REGULATOR RUTR WITH DIHYDROURACIL
to be published
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