5S38
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![BU of 5s38 by Molmil](/molmil-images/mine/5s38) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1745658474 | Descriptor: | 2-(trifluoromethyl)pyrimidine-5-carboxamide, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.072 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S3F
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![BU of 5s3f by Molmil](/molmil-images/mine/5s3f) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57446103 | Descriptor: | DIMETHYL SULFOXIDE, N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S3J
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![BU of 5s3j by Molmil](/molmil-images/mine/5s3j) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1324853681 | Descriptor: | (8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.087 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S3V
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![BU of 5s3v by Molmil](/molmil-images/mine/5s3v) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0120 | Descriptor: | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.119 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S40
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![BU of 5s40 by Molmil](/molmil-images/mine/5s40) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023824 | Descriptor: | 4-iodanyl-3~{H}-pyridin-2-one, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.187 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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5S4B
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![BU of 5s4b by Molmil](/molmil-images/mine/5s4b) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z3219959731 | Descriptor: | DIMETHYL SULFOXIDE, Non-structural protein 3, pyridazin-3(2H)-one | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.185 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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3H5Q
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![BU of 3h5q by Molmil](/molmil-images/mine/3h5q) | Crystal structure of a putative pyrimidine-nucleoside phosphorylase from Staphylococcus aureus | Descriptor: | Pyrimidine-nucleoside phosphorylase, SULFATE ION, THYMIDINE | Authors: | Shumilin, I.A, Zimmerman, M, Cymborowski, M, Skarina, T, Onopriyenko, O, Anderson, W.F, Savchenko, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-04-22 | Release date: | 2009-05-26 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of a putative pyrimidine-nucleoside phosphorylase from Staphylococcus aureus TO BE PUBLISHED
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5HJ5
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![BU of 5hj5 by Molmil](/molmil-images/mine/5hj5) | Crystal structure of tertiary complex of glucosamine-6-phosphate deaminase from Vibrio cholerae with BETA-D-GLUCOSE-6-PHOSPHATE and FRUCTOSE-6-PHOSPHATE | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, ACETIC ACID, FRUCTOSE -6-PHOSPHATE, ... | Authors: | Chang, C, Maltseva, N, Kim, Y, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-12 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of tertiary complex of glucosamine-6-phosphate deaminase from Vibrio cholerae with BETA-D-GLUCOSE-6-PHOSPHATE and FRUCTOSE -6-PHOSPHATE To Be Published
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3HFR
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![BU of 3hfr by Molmil](/molmil-images/mine/3hfr) | Crystal structure of glutamate racemase from Listeria monocytogenes | Descriptor: | CHLORIDE ION, Glutamate racemase, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500) | Authors: | Majorek, K.A, Chruszcz, M, Zimmerman, M.D, Klimecka, M.M, Cymborowski, M, Skarina, T, Onopriyenko, O, Stam, J, Otwinowski, Z, Anderson, W.F, Savchenko, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-05-12 | Release date: | 2009-06-09 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of glutamate racemase from Listeria monocytogenes TO BE PUBLISHED
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5I0D
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![BU of 5i0d by Molmil](/molmil-images/mine/5i0d) | Cycloalternan-forming enzyme from Listeria monocytogenes in complex with cycloalternan | Descriptor: | CALCIUM ION, CHLORIDE ION, Cyclic alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose, ... | Authors: | Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-03 | Release date: | 2016-12-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
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5IBX
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![BU of 5ibx by Molmil](/molmil-images/mine/5ibx) | 1.65 Angstrom Crystal Structure of Triosephosphate Isomerase (TIM) from Streptococcus pneumoniae | Descriptor: | SODIUM ION, Triosephosphate isomerase | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Flores, K, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-02-22 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 1.65 Angstrom Crystal Structure of Triosephosphate Isomerase (TIM) from Streptococcus pneumoniae To Be Published
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3I38
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![BU of 3i38 by Molmil](/molmil-images/mine/3i38) | Structure of a putative chaperone protein dnaj from klebsiella pneumoniae subsp. pneumoniae mgh 78578 | Descriptor: | Putative chaperone DnaJ | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Bearden, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-06-30 | Release date: | 2009-07-14 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a Putative Chaperone Protein Dnaj from Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 To be Published
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3F4N
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![BU of 3f4n by Molmil](/molmil-images/mine/3f4n) | Crystal Structure of Pyridoxal Phosphate Biosynthetic Protein PdxJ from Yersinia pestis | Descriptor: | PYRIDOXINE-5'-PHOSPHATE, Pyridoxine 5'-phosphate synthase, SULFATE ION | Authors: | Kim, Y, Maltseva, N, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-11-01 | Release date: | 2008-11-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Crystal Structure of Pyridoxal Phosphate Biosynthetic Protein PdxJ from Yersinia pestis To be Published, 2008
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3IB3
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![BU of 3ib3 by Molmil](/molmil-images/mine/3ib3) | Crystal Structure of SACOL2612 - CocE/NonD family hydrolase from Staphylococcus aureus | Descriptor: | CHLORIDE ION, CocE/NonD family hydrolase, NICKEL (II) ION, ... | Authors: | Domagalski, M.J, Chruszcz, M, Osinski, T, Skarina, T, Onopriyenko, O, Cymborowski, M, Shumilin, I.A, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-15 | Release date: | 2009-08-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of SACOL2612 - CocE/NonD family hydrolase from Staphylococcus aureus To be Published
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3IWH
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![BU of 3iwh by Molmil](/molmil-images/mine/3iwh) | Crystal Structure of Rhodanese-like Domain Protein from Staphylococcus aureus | Descriptor: | BETA-MERCAPTOETHANOL, Rhodanese-like domain protein | Authors: | Kim, Y, Chruszcz, M, Minor, W, Edwards, A, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-09-02 | Release date: | 2009-09-15 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Rhodanese-like Domain Protein from Staphylococcus aureus To be Published
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3III
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![BU of 3iii by Molmil](/molmil-images/mine/3iii) | 1.95 Angstrom Crystal Structure of CocE/NonD family hydrolase (SACOL2612) from Staphylococcus aureus | Descriptor: | CHLORIDE ION, CocE/NonD family hydrolase, NICKEL (II) ION, ... | Authors: | Osinski, T, Chruszcz, M, Domagalski, M.J, Cymborowski, M, Shumilin, I.A, Skarina, T, Onopriyenko, O, Zimmerman, M.D, Savchenko, A, Edwards, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-08-01 | Release date: | 2009-08-18 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1.95 Angstrom Crystal Structure of CocE/NonD family hydrolase (SACOL2612) from Staphylococcus aureus To be Published
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3JZE
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![BU of 3jze by Molmil](/molmil-images/mine/3jze) | 1.8 Angstrom resolution crystal structure of dihydroorotase (pyrC) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 | Descriptor: | ACETIC ACID, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-09-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 Angstrom Resolution Crystal Structure of Dihydroorotase (pyrC) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2. TO BE PUBLISHED
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5JPI
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![BU of 5jpi by Molmil](/molmil-images/mine/5jpi) | 2.15 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with D-Eritadenine and NAD | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Adenosylhomocysteinase, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Bishop, B, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-05-03 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 2.15 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with D-Eritadenine and NAD. To Be Published
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3OJC
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![BU of 3ojc by Molmil](/molmil-images/mine/3ojc) | Crystal structure of a putative Asp/Glu Racemase from Yersinia pestis | Descriptor: | CALCIUM ION, HEXANE-1,6-DIOL, Putative aspartate/glutamate racemase | Authors: | Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-08-21 | Release date: | 2010-09-15 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of a putative Asp/Glu Racemase from Yersinia pestis To be Published
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5JXW
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![BU of 5jxw by Molmil](/molmil-images/mine/5jxw) | 2.25 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Neplanocin-A and NAD | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Adenosylhomocysteinase, GLYCEROL, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Bishop, B, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-05-13 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 2.25 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Neplanocin-A and NAD To Be Published
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5KBP
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![BU of 5kbp by Molmil](/molmil-images/mine/5kbp) | The crystal structure of an alpha-mannosidase from Enterococcus faecalis V583 | Descriptor: | Glycosyl hydrolase, family 38, SULFATE ION | Authors: | Tan, K, Chhor, G, Jedrzejczak, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-06-03 | Release date: | 2016-07-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of an alpha-mannosidase from Enterococcus faecalis V583 To Be Published
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3BWM
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![BU of 3bwm by Molmil](/molmil-images/mine/3bwm) | Crystal Structure of Human Catechol O-Methyltransferase with bound SAM and DNC | Descriptor: | 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Rutherford, K, Le Trong, I, Stenkamp, R.E, Parson, W.W. | Deposit date: | 2008-01-09 | Release date: | 2008-06-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structures of human 108V and 108M catechol O-methyltransferase. J.Mol.Biol., 380, 2008
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3N5M
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![BU of 3n5m by Molmil](/molmil-images/mine/3n5m) | Crystals structure of a Bacillus anthracis aminotransferase | Descriptor: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, SULFATE ION | Authors: | Anderson, S.M, Wawrzak, Z, DiLeo, R, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-05-25 | Release date: | 2010-06-09 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystals structure of a Bacillus anthracis aminotransferase TO BE PUBLISHED
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3ISV
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![BU of 3isv by Molmil](/molmil-images/mine/3isv) | Crystal structure of glutamate racemase from Listeria monocytogenes in complex with acetate ion | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Majorek, K.A, Chruszcz, M, Skarina, T, Onopriyenko, O, Stam, J, Anderson, W.F, Savchenko, A, Bujnicki, J.M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-08-27 | Release date: | 2009-09-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of glutamate racemase from Listeria monocytogenes in complex with acetate ion To be Published
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5KP2
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![BU of 5kp2 by Molmil](/molmil-images/mine/5kp2) | Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae cocrystallized with octanoyl-CoA: hydrolzed ligand | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, COENZYME A, OCTANOIC ACID (CAPRYLIC ACID) | Authors: | Hou, J, Zheng, H, Grabowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-07-01 | Release date: | 2016-07-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae soaked with octanoyl-CoA: hydrolzed ligand To Be Published
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