5VG6
 
 | | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2 in complex with NADPH and MES. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, D-isomer specific 2-hydroxyacid dehydrogenase NAD-binding, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Lipowska, J, Shabalin, I.G, Kutner, J, Gasiorowska, O.A, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2017-04-10 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2 in complex with NADPH and MES.
to be published
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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: | 2022-04-13 | | 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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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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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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5VE2
 | | Crystal structure of enoyl-CoA hydratase/isomerase from Pseudoalteromonas atlantica T6c at 2.3 A resolution. | | Descriptor: | DI(HYDROXYETHYL)ETHER, Enoyl-CoA hydratase, GLYCEROL, ... | | Authors: | Siuda, M.K, Shabalin, I.G, Cooper, D.R, Chapman, H.C, Tkaczuk, K.L, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2017-04-03 | | Release date: | 2017-04-19 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of enoyl-CoA hydratase/isomerase from Pseudoalteromonas atlantica T6c at 2.3 A resolution.
to be published
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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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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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5V0V
 | | Crystal structure of Equine Serum Albumin complex with etodolac | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Serum albumin, ... | | Authors: | Czub, M.P, Shabalin, I.G, Handing, K.B, Venkataramany, B.S, Steen, E.H, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-28 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 2020
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5VGM
 | | Crystal structure of dihydroorotase pyrC from Vibrio cholerae in complex with zinc at 1.95 A resolution. | | Descriptor: | ACETATE ION, CHLORIDE ION, Dihydroorotase, ... | | Authors: | Lipowska, J, Shabalin, I.G, Miks, C.D, Winsor, J, Cooper, D.R, Shuvalova, L, Kwon, K, Lewinski, K, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-04-11 | | Release date: | 2017-04-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 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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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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6COA
 | | 1.2 A Structure of Thaumatin Crystallized in Gel | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Sauter, C, Lorber, B, Shabalin, I.G, Porebski, P.J, Brzezinski, D, Giege, R. | | Deposit date: | 2018-03-12 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Towards atomic resolution with crystals grown in gel: the case of thaumatin seen at room temperature.
Proteins, 48, 2002
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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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5W90
 | | FEZ-1 metallo-beta-lactamase from Legionella gormanii modelled with unknown ligand | | Descriptor: | FEZ-1 protein, GLYCEROL, SULFATE ION, ... | | Authors: | Garcia-Saez, I, Mercuri, P.S, Kahn, R, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Papamicael, C, Frere, J.M, Galleni, M, Dideberg, O. | | Deposit date: | 2017-06-22 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Three-dimensional structure of FEZ-1, a monomeric subclass B3 metallo-beta-lactamase from Fluoribacter gormanii, in native form and in complex with D-captopril.
J. Mol. Biol., 325, 2003
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5WCK
 | | Native FEZ-1 metallo-beta-lactamase from Legionella gormanii | | Descriptor: | FEZ-1 protein, GLYCEROL, SULFATE ION, ... | | Authors: | Garcia-Saez, I, Mercuri, P.S, Kahn, R, Papamicael, C, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Frere, J.M, Galleni, M, Dideberg, O. | | Deposit date: | 2017-06-30 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Three-dimensional structure of FEZ-1, a monomeric subclass B3 metallo-beta-lactamase from Fluoribacter gormanii, in native form and in complex with D-captopril.
J. Mol. Biol., 325, 2003
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5WCM
 | | Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement | | Descriptor: | 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION | | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S. | | Deposit date: | 2017-06-30 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | 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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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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