7RZL
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![BU of 7rzl by Molmil](/molmil-images/mine/7rzl) | Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846 in complex with 4-nitrophenol | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ... | Authors: | Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-08-27 | Release date: | 2021-09-29 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens. Microbiol Spectr, 10, 2022
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7S1A
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![BU of 7s1a by Molmil](/molmil-images/mine/7s1a) | Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae Rd KW20 | Descriptor: | ACETIC ACID, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Maltseva, N, Kim, Y, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-09-01 | Release date: | 2021-10-06 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens. Microbiol Spectr, 10, 2022
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3L03
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![BU of 3l03 by Molmil](/molmil-images/mine/3l03) | Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II peptide and Estetrol (Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol) | Descriptor: | (14beta,15alpha,16alpha,17alpha)-estra-1,3,5(10)-triene-3,15,16,17-tetrol, CHLORIDE ION, Estrogen receptor, ... | Authors: | Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L. | Deposit date: | 2009-12-09 | Release date: | 2010-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | Crystal Structure of human Estrogen Receptor alpha Ligand-Binding Domain
in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II
peptide and Estra-1,3,5(10)-triene-3,15 alpha,16alpha,17beta-tetrol To be Published
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7PXZ
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![BU of 7pxz by Molmil](/molmil-images/mine/7pxz) | Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | Deposit date: | 2021-10-08 | Release date: | 2023-01-18 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
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7PZQ
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![BU of 7pzq by Molmil](/molmil-images/mine/7pzq) | Oxidized form of SARS-CoV-2 Main Protease determined by XFEL radiation | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | Deposit date: | 2021-10-13 | Release date: | 2023-01-25 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
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6LHS
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![BU of 6lhs by Molmil](/molmil-images/mine/6lhs) | High resolution structure of FANCA C-terminal domain (CTD) | Descriptor: | Fanconi anemia complementation group A | Authors: | Jeong, E, Lee, S, Shin, J, Kim, Y, Scharer, O, Kim, Y, Kim, H, Cho, Y. | Deposit date: | 2019-12-10 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex. Nucleic Acids Res., 48, 2020
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7O2L
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![BU of 7o2l by Molmil](/molmil-images/mine/7o2l) | Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC) | Descriptor: | (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ... | Authors: | Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H. | Deposit date: | 2021-03-30 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria. Nat.Chem., 14, 2022
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5KZV
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![BU of 5kzv by Molmil](/molmil-images/mine/5kzv) | Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with 20(S)-hydroxycholesterol | Descriptor: | (3alpha,8alpha)-cholest-5-ene-3,20-diol, Smoothened | Authors: | Huang, P, Kim, Y, Salic, A. | Deposit date: | 2016-07-25 | Release date: | 2016-08-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.616 Å) | Cite: | Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling. Cell, 166, 2016
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5KZY
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![BU of 5kzy by Molmil](/molmil-images/mine/5kzy) | |
5KZZ
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![BU of 5kzz by Molmil](/molmil-images/mine/5kzz) | Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in its apo-form | Descriptor: | ACETATE ION, GLYCEROL, Smoothened, ... | Authors: | Huang, P, Kim, Y, Salic, A. | Deposit date: | 2016-07-25 | Release date: | 2016-08-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.332 Å) | Cite: | Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling. Cell, 166, 2016
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6E3S
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![BU of 6e3s by Molmil](/molmil-images/mine/6e3s) | Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist PT2385 | Descriptor: | 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | Authors: | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | Deposit date: | 2018-07-15 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bidirectional modulation of HIF-2 activity through chemical ligands. Nat. Chem. Biol., 15, 2019
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6E3T
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![BU of 6e3t by Molmil](/molmil-images/mine/6e3t) | Crystal Structure of the Heterodimeric HIF-2 Complex with Antagonist T1001 | Descriptor: | (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | Authors: | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | Deposit date: | 2018-07-15 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bidirectional modulation of HIF-2 activity through chemical ligands. Nat. Chem. Biol., 15, 2019
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6E3U
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![BU of 6e3u by Molmil](/molmil-images/mine/6e3u) | Crystal Structure of the Heterodimeric HIF-2 Complex with Agonist M1001 | Descriptor: | 3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | Authors: | Wu, D, Su, X, Lu, J, Li, S, Hood, B, Vasile, S, Potluri, N, Diao, X, Kim, Y, Khorasanizadeh, S, Rastinejad, F. | Deposit date: | 2018-07-15 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Bidirectional modulation of HIF-2 activity through chemical ligands. Nat. Chem. Biol., 15, 2019
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2XMQ
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![BU of 2xmq by Molmil](/molmil-images/mine/2xmq) | Crystal structure of human NDRG2 protein provides insight into its role as a tumor suppressor | Descriptor: | ACETATE ION, PROTEIN NDRG2 | Authors: | Hwang, J, Kim, Y, Lee, H, Kim, M.H. | Deposit date: | 2010-07-29 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal Structure of Human Ndrg2 Protein Provides Insight Into its Role as a Tumor Suppressor. J.Biol.Chem., 286, 2011
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3GHJ
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![BU of 3ghj by Molmil](/molmil-images/mine/3ghj) | Crystal structure from the mobile metagenome of Halifax Harbour Sewage Outfall: Integron Cassette Protein HFX_CASS4 | Descriptor: | Putative integron gene cassette protein | Authors: | Sureshan, V, Deshpande, C, Harrop, S.J, Kudritska, M, Koenig, J.E, Evdokimova, E, Kim, Y, Edwards, A.M, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-03-03 | Release date: | 2009-03-24 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.471 Å) | Cite: | Structure from the mobile metagenome of Halifax Harbour Sewage Outfall: Integron Cassette Protein HFX_CASS4 To be Published
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2A9S
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![BU of 2a9s by Molmil](/molmil-images/mine/2a9s) | The crystal structure of competence/damage inducible protein CihA from Agrobacterium tumefaciens | Descriptor: | CHLORIDE ION, competence/damage-inducible protein CinA | Authors: | Lunin, V.V, Evdokimova, E, Kudritska, M, Kim, Y, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-07-12 | Release date: | 2005-07-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The crystal structure of competence/damage inducible protein CihA from Agrobacterium tumefaciens To be Published
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6LHU
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![BU of 6lhu by Molmil](/molmil-images/mine/6lhu) | High resolution structure of FANCA C-terminal domain (CTD) | Descriptor: | Fanconi anemia complementation group A | Authors: | Jeong, E, Lee, S, Shin, J, Kim, Y, Kim, J, Scharer, O, Kim, Y, Kim, H, Cho, Y. | Deposit date: | 2019-12-10 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex. Nucleic Acids Res., 48, 2020
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6LHW
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![BU of 6lhw by Molmil](/molmil-images/mine/6lhw) | Structure of N-terminal and C-terminal domains of FANCA | Descriptor: | Fanconi anemia complementation group A | Authors: | Jeong, E, Lee, S, Shin, J, Kim, Y, Kim, J, Scharer, O, Kim, Y, Kim, H, Cho, Y. | Deposit date: | 2019-12-10 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.84 Å) | Cite: | Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex. Nucleic Acids Res., 48, 2020
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6LHV
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![BU of 6lhv by Molmil](/molmil-images/mine/6lhv) | Structure of FANCA and FANCG Complex | Descriptor: | Fanconi anemia complementation group A, Fanconi anemia complementation group G | Authors: | Jeong, E, Lee, S, Shin, J, Kim, Y, Scharer, O, Kim, Y, Kim, H, Cho, Y. | Deposit date: | 2019-12-10 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.59 Å) | Cite: | Structural basis of the fanconi anemia-associated mutations within the FANCA and FANCG complex. Nucleic Acids Res., 48, 2020
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4R3Z
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![BU of 4r3z by Molmil](/molmil-images/mine/4r3z) | Crystal structure of human ArgRS-GlnRS-AIMP1 complex | Descriptor: | Aminoacyl tRNA synthase complex-interacting multifunctional protein 1, Arginine--tRNA ligase, cytoplasmic, ... | Authors: | Fu, Y, Kim, Y, Cho, Y. | Deposit date: | 2014-08-18 | Release date: | 2014-10-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (4.033 Å) | Cite: | Structure of the ArgRS-GlnRS-AIMP1 complex and its implications for mammalian translation Proc.Natl.Acad.Sci.USA, 111, 2014
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9BZR
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![BU of 9bzr by Molmil](/molmil-images/mine/9bzr) | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate | Descriptor: | CHLORIDE ION, MALONIC ACID, N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE, ... | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-05-24 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate To Be Published
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9CLY
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![BU of 9cly by Molmil](/molmil-images/mine/9cly) | Crystal structure of the 3-ketoacyl-(acyl-carrier-protein) reductase, CylG, from Streptococcus agalactiae 2603V/R | Descriptor: | CylG protein, IMIDAZOLE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-07-12 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of the 3-ketoacyl-(acyl-carrier-protein) reductase, CylG, from Streptococcus agalactiae 2603V/R To be published
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9BZQ
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![BU of 9bzq by Molmil](/molmil-images/mine/9bzq) | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, FORMIC ACID, ... | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-05-24 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with Avibactam To Be Published
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9BZN
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![BU of 9bzn by Molmil](/molmil-images/mine/9bzn) | High resolution structure of class A Beta-lactamase from Bordetella bronchiseptica RB50 | Descriptor: | FORMIC ACID, SULFATE ION, class A Beta-lactamase, ... | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-05-24 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | High resolution structure of class A Beta-lactamase from Bordetella bronchiseptica RB50 To Be Published
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5HW2
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![BU of 5hw2 by Molmil](/molmil-images/mine/5hw2) | Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid | Descriptor: | 1,2-ETHANEDIOL, Adenylosuccinate lyase, FUMARIC ACID, ... | Authors: | Chang, C, Maltseva, N, Kim, Y, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-28 | Release date: | 2016-02-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.054 Å) | Cite: | Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid To Be Published
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