4N00
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![BU of 4n00 by Molmil](/molmil-images/mine/4n00) | Discovery of 7-THP chromans: BACE1 inhibitors that reduce A-beta in the CNS | Descriptor: | (4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one, Beta-secretase 1, NICKEL (II) ION | Authors: | Vigers, G.P.A, Smith, D. | Deposit date: | 2013-09-30 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of 7-tetrahydropyran-2-yl chromans: beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors that reduce amyloid beta-protein (A beta ) in the central nervous system. J.Med.Chem., 57, 2014
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1YBW
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![BU of 1ybw by Molmil](/molmil-images/mine/1ybw) | Protease domain of HGFA with no inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hepatocyte growth factor activator precursor | Authors: | Shia, S, Stamos, J, Kirchhofer, D, Fan, B, Wu, J, Corpuz, R.T, Santell, L, Lazarus, R.A, Eigenbrot, C. | Deposit date: | 2004-12-21 | Release date: | 2005-02-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational lability in serine protease active sites: structures of hepatocyte growth factor activator (HGFA) alone and with the inhibitory domain from HGFA inhibitor-1B. J.Mol.Biol., 346, 2005
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7FC0
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![BU of 7fc0 by Molmil](/molmil-images/mine/7fc0) | Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII) | Descriptor: | FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ... | Authors: | Chao, D, Zhaolin, L, Shoujie, L, Li, Z, Dan, Z, Ying, J, Wei, C. | Deposit date: | 2021-07-13 | Release date: | 2022-03-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.643 Å) | Cite: | Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis. Cell Res., 32, 2022
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1Y7R
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![BU of 1y7r by Molmil](/molmil-images/mine/1y7r) | 1.7 A Crystal Structure of Protein of Unknown Function SA2161 from Meticillin-Resistant Staphylococcus aureus, Probable Acetyltransferase | Descriptor: | PHOSPHATE ION, hypothetical protein SA2161 | Authors: | Qiu, Y, Zhang, R, Collart, F, Holzle, D, Joachimiak, A, Kossiakoff, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-12-09 | Release date: | 2005-01-25 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1.7A Crystal Structure of Hypothetical Protein SA2161 from Meticillin-Resistant Staphylococcus aureus To be Published
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6T8N
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![BU of 6t8n by Molmil](/molmil-images/mine/6t8n) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ... | Authors: | Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-10-24 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 To Be Published
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1Y7Q
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![BU of 1y7q by Molmil](/molmil-images/mine/1y7q) | Mammalian SCAN domain dimer is a domain-swapped homologue of the HIV capsid C-terminal domain | Descriptor: | Zinc finger protein 174 | Authors: | Ivanov, D, Stone, J.R, Maki, J.L, Collins, T, Wagner, G. | Deposit date: | 2004-12-09 | Release date: | 2005-01-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Mammalian SCAN Domain Dimer Is a Domain-Swapped Homolog of the HIV Capsid C-Terminal Domain Mol.Cell, 17, 2005
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1Y2K
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![BU of 1y2k by Molmil](/molmil-images/mine/1y2k) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With 3,5-dimethyl-1-(3-nitro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester | Descriptor: | 1,2-ETHANEDIOL, 3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ... | Authors: | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-11-22 | Release date: | 2005-03-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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4A00
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![BU of 4a00 by Molmil](/molmil-images/mine/4a00) | Structure of an engineered aspartate aminotransferase | Descriptor: | ALANYL-PYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Fernandez, F.J, deVries, D, Pena-Soler, E, Coll, M, Christen, P, Gehring, H, Vega, M.C. | Deposit date: | 2011-09-06 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure and Mechanism of a Cysteine Sulfinate Desulfinase Engineered on the Aspartate Aminotransferase Scaffold. Biocim.Biophys.Acta, 1824, 2011
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4E0N
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![BU of 4e0n by Molmil](/molmil-images/mine/4e0n) | SVQIVYK segment from human Tau (305-311) displayed on 54-membered macrocycle scaffold (form II) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide SVQIVYK(ORN)EF(HAO)(4BF)K(ORN), PHOSPHATE ION | Authors: | Zhao, M, Liu, C, Michael, S.R, Eisenberg, D. | Deposit date: | 2012-03-04 | Release date: | 2012-12-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates. Proc.Natl.Acad.Sci.USA, 109, 2012
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2PZE
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![BU of 2pze by Molmil](/molmil-images/mine/2pze) | Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Atwell, S, Conners, K, Emtage, S, Gheyi, T, Glenn, N.R, Hendle, J, Lewis, H.A, Lu, F, Rodgers, L.A, Romero, R, Sauder, J.M, Smith, D, Tien, H, Wasserman, S.R, Zhao, X. | Deposit date: | 2007-05-17 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant. Protein Eng.Des.Sel., 23, 2010
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4M5S
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![BU of 4m5s by Molmil](/molmil-images/mine/4m5s) | Human alphaB crystallin core domain in complex with C-terminal peptide | Descriptor: | Alpha-crystallin B chain, SUCCINIC ACID | Authors: | Laganowsky, A, Cascio, D, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2013-08-08 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity. Proc.Natl.Acad.Sci.USA, 111, 2014
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1ZXL
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![BU of 1zxl by Molmil](/molmil-images/mine/1zxl) | Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives | Descriptor: | N-[3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)PHENYL]MORPHOLINE-4-CARBOXAMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | Authors: | Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | Deposit date: | 2005-06-08 | Release date: | 2006-06-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives. Bioorg.Med.Chem.Lett., 15, 2005
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4DN8
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![BU of 4dn8 by Molmil](/molmil-images/mine/4dn8) | Structure of porcine surfactant protein D neck and carbohydrate recognition domain complexed with mannose | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein D, beta-D-mannopyranose | Authors: | van Eijk, M, Rynkiewicz, M.J, White, M.R, Hartshorn, K.L, Zou, X, Schulten, K, Luo, D, Crouch, E.C, Cafarella, T.M, Head, J.F, Haagsman, H.P, Seaton, B.A. | Deposit date: | 2012-02-08 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Unique Sugar-binding Site Mediates the Distinct Anti-influenza Activity of Pig Surfactant Protein D. J.Biol.Chem., 287, 2012
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3OSV
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![BU of 3osv by Molmil](/molmil-images/mine/3osv) | The crytsal structure of FLGD from P. Aeruginosa | Descriptor: | Flagellar basal-body rod modification protein FlgD, GLYCEROL | Authors: | Wang, D, Luo, M, Niu, S. | Deposit date: | 2010-09-10 | Release date: | 2011-05-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of a novel dimer form of FlgD from P. aeruginosa PAO1 Proteins, 79, 2011
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4AFK
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![BU of 4afk by Molmil](/molmil-images/mine/4afk) | In meso structure of alginate transporter, AlgE, from Pseudomonas aeruginosa, PAO1 | Descriptor: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | Authors: | Tan, J, Pye, V.E, Aragao, D, Caffrey, M. | Deposit date: | 2012-01-19 | Release date: | 2013-02-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | A Conformational Landscape for Alginate Secretion Across the Outer Membrane of Pseudomonas Aeruginosa. Acta Crystallogr.,Sect.D, 70, 2014
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1ZRY
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![BU of 1zry by Molmil](/molmil-images/mine/1zry) | NMR structural analysis of apo chicken liver bile acid binding protein | Descriptor: | Fatty acid-binding protein, liver | Authors: | Ragona, L, Catalano, M, Luppi, M, Cicero, D, Eliseo, T, Foote, J, Fogolari, F, Zetta, L, Molinari, H. | Deposit date: | 2005-05-23 | Release date: | 2006-01-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR Dynamic Studies Suggest that Allosteric Activation Regulates Ligand Binding in Chicken Liver Bile Acid-binding Protein J.Biol.Chem., 281, 2006
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1ZS4
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![BU of 1zs4 by Molmil](/molmil-images/mine/1zs4) | Structure of bacteriophage lambda cII protein in complex with DNA | Descriptor: | DNA - 27mer, Regulatory protein CII | Authors: | Jain, D, Kim, Y, Maxwell, K.L, Beasley, S, Gussin, G.N, Edwards, A.M, Darst, S.A. | Deposit date: | 2005-05-23 | Release date: | 2005-08-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Bacteriophage lambdacII and Its DNA Complex. Mol.Cell, 19, 2005
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3TDH
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![BU of 3tdh by Molmil](/molmil-images/mine/3tdh) | Structure of the regulatory fragment of sccharomyces cerevisiae AMPK in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ... | Authors: | Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmidt, M.C, Gamblin, S.J, Carling, D. | Deposit date: | 2011-08-11 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase. Cell Metab, 14, 2011
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1ZT4
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![BU of 1zt4 by Molmil](/molmil-images/mine/1zt4) | The crystal structure of human CD1d with and without alpha-Galactosylceramide | Descriptor: | Beta-2-microglobulin, N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE, T-cell surface glycoprotein CD1d | Authors: | Koch, M, Stronge, V.S, Shepherd, D, Gadola, S.D, Mathew, B, Ritter, G, Fersht, A.R, Besra, G.S, Schmidt, R.R, Jones, E.Y, Cerundolo, V, Structural Proteomics in Europe (SPINE) | Deposit date: | 2005-05-26 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The crystal structure of human CD1d with and without alpha-galactosylceramide Nat.Immunol., 6, 2005
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1Y39
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![BU of 1y39 by Molmil](/molmil-images/mine/1y39) | Co-evolution of protein and RNA structures within a highly conserved ribosomal domain | Descriptor: | 50S ribosomal protein L11, 58 Nucleotide Ribosomal 23S RNA Domain, COBALT (III) ION, ... | Authors: | Dunstan, M.S, GuhaThakurta, D, Draper, D.E, Conn, G.L. | Deposit date: | 2004-11-24 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Coevolution of Protein and RNA Structures within a Highly Conserved Ribosomal Domain Chem.Biol., 12, 2005
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3USH
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![BU of 3ush by Molmil](/molmil-images/mine/3ush) | Crystal Structure of the Q2S0R5 protein from Salinibacter ruber, Northeast Structural Genomics Consortium Target SrR207 | Descriptor: | BROMIDE ION, Uncharacterized protein | Authors: | Vorobiev, S, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-11-23 | Release date: | 2011-12-14 | Last modified: | 2018-06-13 | Method: | X-RAY DIFFRACTION (1.692 Å) | Cite: | Crystal Structure of the Q2S0R5 protein from Salinibacter ruber, Northeast Structural Genomics Consortium Target SrR207 To be Published
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1Y57
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![BU of 1y57 by Molmil](/molmil-images/mine/1y57) | Structure of unphosphorylated c-Src in complex with an inhibitor | Descriptor: | 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PHENYL}BENZAMIDE, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION | Authors: | Cowan-Jacob, S.W, Fendrich, G, Manley, P.W, Jahnke, W, Fabbro, D, Liebetanz, J, Meyer, T. | Deposit date: | 2004-12-02 | Release date: | 2005-06-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | The Crystal Structure of a c-Src Complex in an Active Conformation Suggests Possible Steps in c-Src Activation Structure, 13, 2005
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1Y2H
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![BU of 1y2h by Molmil](/molmil-images/mine/1y2h) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With 1-(2-chloro-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester | Descriptor: | 1-(2-CHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ZINC ION, ... | Authors: | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-11-22 | Release date: | 2005-03-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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5V8G
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![BU of 5v8g by Molmil](/molmil-images/mine/5v8g) | Pekin duck lysozyme isoform I (DEL-I) | Descriptor: | CHLORIDE ION, THIOCYANATE ION, lysozyme isoform I | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2017-03-22 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural basis of antigen recognition: crystal structure of duck egg lysozyme. Acta Crystallogr D Struct Biol, 73, 2017
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2P1D
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![BU of 2p1d by Molmil](/molmil-images/mine/2p1d) | |