4YO4
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![BU of 4yo4 by Molmil](/molmil-images/mine/4yo4) | Crystal Structure of DAPK1 catalytic domain in complex with the hinge binding fragment phthalazine | Descriptor: | ACETATE ION, CHLORIDE ION, Death-associated protein kinase 1, ... | Authors: | Grum-Tokars, V.L, Roy, S.M, Minasov, G, Anderson, W.F, Watterson, D.M. | Deposit date: | 2015-03-11 | Release date: | 2015-05-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of DAPK1 catalytic domain in complex with hinge binding fragments To Be Published
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3JS3
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![BU of 3js3 by Molmil](/molmil-images/mine/3js3) | Crystal structure of type I 3-dehydroquinate dehydratase (aroD) from Clostridium difficile with covalent reaction intermediate | Descriptor: | 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE, 3-dehydroquinate dehydratase | Authors: | Minasov, G, Light, S.H, Shuvalova, L, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-09-09 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates. J.Biol.Chem., 286, 2011
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4MPY
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![BU of 4mpy by Molmil](/molmil-images/mine/4mpy) | 1.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus (IDP00699) in complex with NAD+ | Descriptor: | Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-09-14 | Release date: | 2013-10-09 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus. Appl.Environ.Microbiol., 80, 2014
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6O8A
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![BU of 6o8a by Molmil](/molmil-images/mine/6o8a) | Thaumatin native-SAD structure determined at 5 keV from microcrystals | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Guo, G, Zhu, P, Fuchs, M.R, Shi, W, Andi, B, Gao, Y, Hendrickson, W.A, McSweeney, S, Liu, Q. | Deposit date: | 2019-03-09 | Release date: | 2019-05-08 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synchrotron microcrystal native-SAD phasing at a low energy. Iucrj, 6, 2019
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4X0O
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![BU of 4x0o by Molmil](/molmil-images/mine/4x0o) | Beta-ketoacyl-(acyl carrier protein) synthase III-2 (FabH2) from Vibrio cholerae soaked with Acetyl-CoA | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, COENZYME A, MALONATE ION, ... | Authors: | Hou, J, Chruszcz, M, Zheng, H, Cooper, D.R, Chordia, M.D, Zimmerman, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-11-21 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 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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7BAU
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![BU of 7bau by Molmil](/molmil-images/mine/7bau) | A de novo pentameric coiled-coil assembly: CC-Type2-(TgIaId)4-W19BrPhe. | Descriptor: | CC-Type2-(TgLaId)4-W19BrPhe. | Authors: | Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N. | Deposit date: | 2020-12-16 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states. Chem Sci, 12, 2021
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7SIN
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![BU of 7sin by Molmil](/molmil-images/mine/7sin) | Structure of negative allosteric modulator-bound inactive human calcium-sensing receptor | Descriptor: | 2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile, Isoform 1 of Extracellular calcium-sensing receptor | Authors: | Park, J, Zuo, H, Frangaj, A, Fu, Z, Yen, L.Y, Zhang, Z, Mosyak, L, Slavkovich, V.N, Liu, J, Ray, K.M, Cao, B, Vallese, F, Geng, Y, Chen, S, Grassucci, R, Dandey, V.P, Tan, Y.Z, Eng, E, Lee, Y, Kloss, B, Liu, Z, Hendrickson, W.A, Potter, C.S, Carragher, B, Graziano, J, Conigrave, A.D, Frank, J, Clarke, O.B, Fan, Q.R. | Deposit date: | 2021-10-14 | Release date: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Symmetric activation and modulation of the human calcium-sensing receptor. Proc.Natl.Acad.Sci.USA, 118, 2021
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7X9R
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![BU of 7x9r by Molmil](/molmil-images/mine/7x9r) | Crystal structure of the antirepressor GmaR | Descriptor: | Glycosyl transferase family 2 | Authors: | Cho, S.Y, Na, H.W, Oh, H.B, Kwak, Y.M, Song, W.S, Park, S.C, Yoon, S.I. | Deposit date: | 2022-03-16 | Release date: | 2022-11-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis of flagellar motility regulation by the MogR repressor and the GmaR antirepressor in Listeria monocytogenes. Nucleic Acids Res., 50, 2022
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7X9S
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![BU of 7x9s by Molmil](/molmil-images/mine/7x9s) | Crystal structure of a complex between the antirepressor GmaR and the transcriptional repressor MogR | Descriptor: | GmaR, Motility gene repressor MogR | Authors: | Cho, S.Y, Na, H.W, Oh, H.B, Kwak, Y.M, Song, W.S, Park, S.C, Yoon, S.I. | Deposit date: | 2022-03-16 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Structural basis of flagellar motility regulation by the MogR repressor and the GmaR antirepressor in Listeria monocytogenes. Nucleic Acids Res., 50, 2022
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5BJO
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![BU of 5bjo by Molmil](/molmil-images/mine/5bjo) | Crystal structure of the Corn RNA aptamer in complex with DFHO, site-specific 5-iodo-U | Descriptor: | (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Warner, K.D, Song, W, Filonov, G.S, Jaffrey, S.R, Ferre-D'Amare, A.R. | Deposit date: | 2016-08-21 | Release date: | 2017-09-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | A homodimer interface without base pairs in an RNA mimic of red fluorescent protein. Nat. Chem. Biol., 13, 2017
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5BJP
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![BU of 5bjp by Molmil](/molmil-images/mine/5bjp) | Crystal structure of the Corn RNA aptamer in complex with DFHO, iridium hexammine soak | Descriptor: | (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, DIMETHYL SULFOXIDE, IRIDIUM ION, ... | Authors: | Warner, K.D, Song, W, Filonov, G.S, Jaffrey, S.R, Ferre-D'Amare, A.R. | Deposit date: | 2016-08-21 | Release date: | 2017-09-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | A homodimer interface without base pairs in an RNA mimic of red fluorescent protein. Nat. Chem. Biol., 13, 2017
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5DQV
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![BU of 5dqv by Molmil](/molmil-images/mine/5dqv) | The crystal structure of Bacillus subtilis YpgQ | Descriptor: | NICKEL (II) ION, Uncharacterized protein | Authors: | Jeon, Y.J, Song, W.S, Yoon, S.I. | Deposit date: | 2015-09-15 | Release date: | 2016-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and biochemical characterization of bacterial YpgQ protein reveals a metal-dependent nucleotide pyrophosphohydrolase J.Struct.Biol., 195, 2016
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4MPH
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![BU of 4mph by Molmil](/molmil-images/mine/4mph) | Crystal structure of BaLdcB / VanY-like L,D-carboxypeptidase Zinc(II)-bound | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase family protein, ... | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Skarina, T, Shatsman, S, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-09-12 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.0301 Å) | Cite: | Structure of the LdcB LD-Carboxypeptidase Reveals the Molecular Basis of Peptidoglycan Recognition. Structure, 22, 2014
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5DQW
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![BU of 5dqw by Molmil](/molmil-images/mine/5dqw) | |
4JID
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![BU of 4jid by Molmil](/molmil-images/mine/4jid) | Crystal structure of BaLdcB / VanY-like L,D-carboxypeptidase Zinc(II)-free | Descriptor: | CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase family protein | Authors: | Minasov, G, Wawrzak, Z, Onopriyenko, O, Skarina, T, Shatsman, S, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-03-05 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the LdcB LD-Carboxypeptidase Reveals the Molecular Basis of Peptidoglycan Recognition. Structure, 22, 2014
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5HPO
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![BU of 5hpo by Molmil](/molmil-images/mine/5hpo) | Cycloalternan-forming enzyme from Listeria monocytogenes in complex with maltopentaose | Descriptor: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Winsor, J, Grimshaw, S, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-20 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
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3H02
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![BU of 3h02 by Molmil](/molmil-images/mine/3h02) | 2.15 Angstrom Resolution Crystal Structure of Naphthoate Synthase from Salmonella typhimurium. | Descriptor: | BICARBONATE ION, Naphthoate synthase, SULFATE ION | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-04-08 | Release date: | 2009-04-21 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 2.15 Angstrom Resolution Crystal Structure of Naphthoate Synthase from Salmonella typhimurium. TO BE PUBLISHED
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3H0P
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![BU of 3h0p by Molmil](/molmil-images/mine/3h0p) | 2.0 Angstrom Crystal Structure of an Acyl Carrier Protein S-malonyltransferase from Salmonella typhimurium. | Descriptor: | S-malonyltransferase, SULFATE ION | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-04-10 | Release date: | 2009-04-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.0 Angstrom Crystal Structure of an Acyl Carrier Protein S-malonyltransferase from Salmonella typhimurium. TO BE PUBLISHED
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6EIZ
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![BU of 6eiz by Molmil](/molmil-images/mine/6eiz) | A de novo designed hexameric coiled coil CC-Hex2 with farnesol bound in the channel. | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, CC-Hex2 | Authors: | Rhys, G.G, Burton, A.J, Dawson, W.M, Thomas, F, Woolfson, D.N. | Deposit date: | 2017-09-19 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | De Novo-Designed alpha-Helical Barrels as Receptors for Small Molecules. ACS Synth Biol, 7, 2018
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109D
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![BU of 109d by Molmil](/molmil-images/mine/109d) | VARIABILITY IN DNA MINOR GROOVE WIDTH RECOGNISED BY LIGAND BINDING: THE CRYSTAL STRUCTURE OF A BIS-BENZIMIDAZOLE COMPOUND BOUND TO THE DNA DUPLEX D(CGCGAATTCGCG)2 | Descriptor: | 5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Czarny, A, Boykin, D.W, Wood, A.A, Nunn, C.M, Neidle, S, Zhao, M, Wilson, W.D. | Deposit date: | 1995-02-15 | Release date: | 1995-05-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Variability in DNA minor groove width recognised by ligand binding: the crystal structure of a bis-benzimidazole compound bound to the DNA duplex d(CGCGAATTCGCG)2. Nucleic Acids Res., 23, 1995
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3GO9
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![BU of 3go9 by Molmil](/molmil-images/mine/3go9) | Predicted insulinase family protease from Yersinia pestis | Descriptor: | DI(HYDROXYETHYL)ETHER, ZINC ION, insulinase family protease | Authors: | Osipiuk, J, Maltseva, N, Onopriyenko, O, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-03-18 | Release date: | 2009-04-07 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | X-ray crystal structure of predicted insulinase family protease from Yersinia pestis. To be Published
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1AH1
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![BU of 1ah1 by Molmil](/molmil-images/mine/1ah1) | CTLA-4, NMR, 20 STRUCTURES | Descriptor: | CTLA-4, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Metzler, W.J, Bajorath, J, Fenderson, W, Shaw, S.-Y, Peach, R, Constantine, K.L, Naemura, J, Leytze, G, Lavoie, T.B, Mueller, L, Linsley, P.S. | Deposit date: | 1997-04-11 | Release date: | 1998-04-15 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Solution structure of human CTLA-4 and delineation of a CD80/CD86 binding site conserved in CD28. Nat.Struct.Biol., 4, 1997
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5TXG
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![BU of 5txg by Molmil](/molmil-images/mine/5txg) | Crystal structure of the Zika virus NS3 helicase. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NS3 helicase, POTASSIUM ION | Authors: | Nocadello, S, Light, S.H, Minasov, G, Shuvalova, L, Cardona-Correa, A.A, Ojeda, I, Vargas, J, Johnson, M.E, Lee, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-11-16 | Release date: | 2016-12-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of the Zika virus NS3 helicase. To be published
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4X9K
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![BU of 4x9k by Molmil](/molmil-images/mine/4x9k) | Beta-ketoacyl-acyl carrier protein synthase III-2 (FabH2)(C113A) from Vibrio cholerae | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, GLYCEROL, MALONATE ION, ... | Authors: | Hou, J, Chruszcz, M, Zheng, H, Grabowski, M, Chordia, M.D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-12-11 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.61 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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3IMF
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![BU of 3imf by Molmil](/molmil-images/mine/3imf) | 1.99 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' | Descriptor: | ACETATE ION, Short chain dehydrogenase | Authors: | Halavaty, A.S, Minasov, G, Skarina, T, Onopriyenko, O, Gordon, E, Peterson, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-08-10 | Release date: | 2009-08-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | 1.99 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' To be Published
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