7SW7
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![BU of 7sw7 by Molmil](/molmil-images/mine/7sw7) | MicroED structure of proteinase K from a 530 nm thick lamella measured at 200 kV | Descriptor: | Proteinase K | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | Deposit date: | 2021-11-19 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | ELECTRON CRYSTALLOGRAPHY (2.3 Å) | Cite: | Benchmarking the ideal sample thickness in cryo-EM. Proc.Natl.Acad.Sci.USA, 118, 2021
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7SWA
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![BU of 7swa by Molmil](/molmil-images/mine/7swa) | MicroED structure of proteinase K from a 320 nm thick lamella measured at 300 kV | Descriptor: | Proteinase K | Authors: | Martynowycz, M.W, Clabbers, M.T.B, Unge, J, Hattne, J, Gonen, T. | Deposit date: | 2021-11-19 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | ELECTRON CRYSTALLOGRAPHY (2.1 Å) | Cite: | Benchmarking the ideal sample thickness in cryo-EM. Proc.Natl.Acad.Sci.USA, 118, 2021
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7ULY
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![BU of 7uly by Molmil](/molmil-images/mine/7uly) | MicroED structure of triclinic lysozyme | Descriptor: | Lysozyme C, NITRATE ION | Authors: | Clabbers, M.T.B, Martynowycz, M.W, Hattne, J, Gonen, T. | Deposit date: | 2022-04-05 | Release date: | 2023-03-15 | Method: | ELECTRON CRYSTALLOGRAPHY (0.87 Å) | Cite: | Hydrogens and hydrogen-bond networks in macromolecular MicroED data. J Struct Biol X, 6, 2022
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6HSF
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![BU of 6hsf by Molmil](/molmil-images/mine/6hsf) | Crystal structure of Schistosoma mansoni HDAC8 mutant H292M complexed with PCI-34051 | Descriptor: | 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-01 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HTH
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![BU of 6hth by Molmil](/molmil-images/mine/6hth) | Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 5 | Descriptor: | 4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HX3
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![BU of 6hx3 by Molmil](/molmil-images/mine/6hx3) | PDX1.2/PDX1.3 complex | Descriptor: | Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION | Authors: | Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B. | Deposit date: | 2018-10-15 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse. Acta Crystallogr D Struct Biol, 75, 2019
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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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3TC6
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![BU of 3tc6 by Molmil](/molmil-images/mine/3tc6) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR63. | Descriptor: | DI(HYDROXYETHYL)ETHER, Indole-3-glycerol phosphate synthase, PHOSPHATE ION | Authors: | Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-08-08 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design. J.Mol.Biol., 426, 2014
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3TC7
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![BU of 3tc7 by Molmil](/molmil-images/mine/3tc7) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR62. | Descriptor: | ACETIC ACID, Indole-3-glycerol phosphate synthase, PHOSPHATE ION | Authors: | Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-08-08 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design. J.Mol.Biol., 426, 2014
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3U26
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![BU of 3u26 by Molmil](/molmil-images/mine/3u26) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR48 | Descriptor: | PF00702 domain protein | Authors: | Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-11-23 | Last modified: | 2022-03-02 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction. Acs Chem.Biol., 8, 2013
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3U13
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![BU of 3u13 by Molmil](/molmil-images/mine/3u13) | Crystal Structure of de Novo design of cystein esterase ECH13 at the resolution 1.6A, Northeast Structural Genomics Consortium Target OR51 | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Kohan, E, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-29 | Release date: | 2011-11-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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3SXW
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![BU of 3sxw by Molmil](/molmil-images/mine/3sxw) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR69. | Descriptor: | Glucose-6-phosphate isomerase | Authors: | Vorobiev, S, Su, M, Nivon, L, Seetharaman, J, Patel, P, Xiao, R, Maglaqui, M, Ciccosanti, C, Baker, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-07-15 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR69. To be Published
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3SLJ
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![BU of 3slj by Molmil](/molmil-images/mine/3slj) | Pre-cleavage Structure of the Autotransporter EspP - N1023A mutant | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Serine protease espP | Authors: | Barnard, T.B, Noinaj, N, Easley, N.C, Kuszak, A.J, Buchanan, S.K. | Deposit date: | 2011-06-24 | Release date: | 2011-11-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.481 Å) | Cite: | Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter. J.Mol.Biol., 415, 2012
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3SWV
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![BU of 3swv by Molmil](/molmil-images/mine/3swv) | Crystal Structure of a domain of Brefeldin A-inhibited guanine nucleotide-exchange protein 2 (Brefeldin A-inhibited GEP 2) from Homo sapiens (Human), Northeast Structural Genomics Consortium target id HR5562A | Descriptor: | Brefeldin A-inhibited guanine nucleotide-exchange protein 2 | Authors: | Seetharaman, J, Su, M, Forouhar, F, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-07-14 | Release date: | 2011-08-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of a domain of Brefeldin A-inhibited guanine nucleotide-exchange protein 2 (BrefeldinA-inhibited GEP 2) from Homo sapiens (Human), Northeast Structural Genomics Consortium target id HR5562A To be Published
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3SY1
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![BU of 3sy1 by Molmil](/molmil-images/mine/3sy1) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR70 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, UPF0001 protein yggS | Authors: | Vorobiev, S, Su, M, Nivon, L, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Maglaqui, M, Baker, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-07-15 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.465 Å) | Cite: | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR70 To be Published
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3SLT
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![BU of 3slt by Molmil](/molmil-images/mine/3slt) | Pre-cleavage Structure of the Autotransporter EspP - N1023S Mutant | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Serine protease espP | Authors: | Barnard, T.B, Noinaj, N, Easley, N.C, Kuszak, A.J, Buchanan, S.K. | Deposit date: | 2011-06-25 | Release date: | 2011-11-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter. J.Mol.Biol., 415, 2012
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3SEK
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![BU of 3sek by Molmil](/molmil-images/mine/3sek) | Crystal Structure of the Myostatin:Follistatin-like 3 Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Follistatin-related protein 3, Growth/differentiation factor 8 | Authors: | Cash, J.N, Thompson, T.B. | Deposit date: | 2011-06-10 | Release date: | 2011-11-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structure of myostatinfollistatin-like 3: N-terminal domains of follistatin-type molecules exhibit alternate modes of binding. J.Biol.Chem., 287, 2012
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3S84
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![BU of 3s84 by Molmil](/molmil-images/mine/3s84) | Dimeric apoA-IV | Descriptor: | Apolipoprotein A-IV, SULFATE ION | Authors: | Deng, X, Davidson, W.S, Thompson, T.B. | Deposit date: | 2011-05-27 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Structure of Dimeric Apolipoprotein A-IV and Its Mechanism of Self-Association. Structure, 20, 2012
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1XKL
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![BU of 1xkl by Molmil](/molmil-images/mine/1xkl) | Crystal Structure of Salicylic Acid-binding Protein 2 (SABP2) from Nicotiana tabacum, NESG Target AR2241 | Descriptor: | 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL, salicylic acid-binding protein 2 | Authors: | Forouhar, F, Chen, Y, Chiang, Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-09-29 | Release date: | 2004-11-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity Proc.Natl.Acad.Sci.USA, 102, 2005
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1XHS
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![BU of 1xhs by Molmil](/molmil-images/mine/1xhs) | Solution NMR Structure of Protein ytfP from Escherichia coli. Northeast Structural Genomics Consortium Target ER111. | Descriptor: | Hypothetical UPF0131 protein ytfP | Authors: | Aramini, J.M, Huang, Y.J, Swapna, G.V.T, Paranji, R.K, Xiao, R, Shastry, R, Acton, T.B, Cort, J.R, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2004-09-20 | Release date: | 2005-01-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of Escherichia coli ytfP expands the structural coverage of the UPF0131 protein domain family. Proteins, 68, 2007
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3V45
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![BU of 3v45 by Molmil](/molmil-images/mine/3v45) | Crystal Structure of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium Target OR130 | Descriptor: | CHLORIDE ION, SODIUM ION, Serine hydrolase OSH55 | Authors: | Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-12-14 | Release date: | 2012-01-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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3SYX
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![BU of 3syx by Molmil](/molmil-images/mine/3syx) | Crystal Structure of the WH1 domain from human sprouty-related, EVH1 domain-containing protein. Northeast Structural Genomics Consortium Target HR5538B. | Descriptor: | Sprouty-related, EVH1 domain-containing protein 1, YTTRIUM (III) ION | Authors: | Vorobiev, S, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-07-18 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.453 Å) | Cite: | Crystal Structure of the WH1 domain from human sprouty-related, EVH1 domain-containing protein. To be Published
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1W2K
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![BU of 1w2k by Molmil](/molmil-images/mine/1w2k) | tf7a_4380 complex | Descriptor: | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ... | Authors: | Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L. | Deposit date: | 2004-07-06 | Release date: | 2005-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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3SLO
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![BU of 3slo by Molmil](/molmil-images/mine/3slo) | Pre-cleavage Structure of the Autotransporter EspP - N1023D mutant | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Serine protease espP | Authors: | Barnard, T.B, Noinaj, N, Easley, N.C, Kuszak, A.J, Buchanan, S.K. | Deposit date: | 2011-06-24 | Release date: | 2011-11-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter. J.Mol.Biol., 415, 2012
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3SH3
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![BU of 3sh3 by Molmil](/molmil-images/mine/3sh3) | Crystal structure of a pro-inflammatory lectin from the seeds of Dioclea wilsonii STANDL | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, CHLORIDE ION, ... | Authors: | Rangel, T.B.A, Rocha, B.A.M, Bezerra, G.A, Bezerra, M.J.B, Nascimento, K.S, Nagano, C.S, Sampaio, A.H, Assreuy, A.M.S, Gruber, K, Delatorre, P, Cavada, B.S. | Deposit date: | 2011-06-15 | Release date: | 2011-10-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a pro-inflammatory lectin from the seeds of Dioclea wilsonii Standl. Biochimie, 94, 2012
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