9ESM
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6F05
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![BU of 6f05 by Molmil](/molmil-images/mine/6f05) | ARABIDOPSIS THALIANA GSTF9, GSO3 BOUND | Descriptor: | CHLORIDE ION, GLUTATHIONE SULFONIC ACID, GLYCEROL, ... | Authors: | Tossounian, M.A, Wahni, K, VanMolle, I, Vertommen, D, Rosado, L, Messens, J. | Deposit date: | 2017-11-17 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Redox-regulated methionine oxidation of Arabidopsis thaliana glutathione transferase Phi9 induces H-site flexibility. Protein Sci., 28, 2019
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4EB2
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![BU of 4eb2 by Molmil](/molmil-images/mine/4eb2) | Crystal structure Mistletoe Lectin I from Viscum album in complex with n-acetyl-d-glucosamine at 1.94 A resolution. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Laskov, A.A, Prokofev, I.I, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2012-03-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure Mistletoe Lectin I from Viscum album in complex with N-acetyl-D-glucosamine at 1.94 A resolution. To be Published
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9B2H
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![BU of 9b2h by Molmil](/molmil-images/mine/9b2h) | HIV-1 wild type protease with GRL-072-17A, a substituted tetrahydrofuran derivative based on Darunavir as P2 group | Descriptor: | 2,5:6,9-dianhydro-1,3,7,8-tetradeoxy-4-O-({(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamoyl)-L-gluco-nonitol, CHLORIDE ION, FORMIC ACID, ... | Authors: | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | Deposit date: | 2024-03-15 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Design of substituted tetrahydrofuran derivatives for HIV-1 protease inhibitors: synthesis, biological evaluation, and X-ray structural studies. Org.Biomol.Chem., 2024
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1IFB
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7B76
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![BU of 7b76 by Molmil](/molmil-images/mine/7b76) | Crystal structure of the effector AvrLm5-9 from Leptosphaeria maculans | Descriptor: | Avirulence protein LmJ1, IODIDE ION | Authors: | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | Deposit date: | 2020-12-09 | Release date: | 2022-01-12 | Last modified: | 2023-03-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins. Plos Pathog., 18, 2022
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2A9E
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5F75
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![BU of 5f75 by Molmil](/molmil-images/mine/5f75) | Thiocyanate dehydrogenase from Thioalkalivibrio paradoxus | Descriptor: | COPPER (II) ION, Thiocyanate dehydrogenase | Authors: | Tsallagov, S.I, Polyakov, K.M, Tikhonova, T.V, Trofimov, A.A, Shabalin, I.G, Popov, A.N, Popov, V.O. | Deposit date: | 2015-12-07 | Release date: | 2016-12-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Thiocyanate dehydrogenase from Thioalkalivibrio paradoxus To Be Published
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7YXA
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![BU of 7yxa by Molmil](/molmil-images/mine/7yxa) | XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid, ... | Authors: | Lyapina, E, Marin, E, Gusach, A, Orekhov, P, Gerasimov, A, Luginina, A, Vakhrameev, D, Ergasheva, M, Kovaleva, M, Khusainov, G, Khorn, P, Shevtsov, M, Kovalev, K, Okhrimenko, I, Bukhdruker, S, Popov, P, Hu, H, Weierstall, U, Liu, W, Cho, Y, Gushchin, I, Rogachev, A, Bourenkov, G, Park, S, Park, G, Huyn, H.J, Park, J, Gordeliy, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | Deposit date: | 2022-02-15 | Release date: | 2022-08-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for receptor selectivity and inverse agonism in S1P 5 receptors. Nat Commun, 13, 2022
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2A3X
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![BU of 2a3x by Molmil](/molmil-images/mine/2a3x) | Decameric crystal structure of human serum amyloid P-component bound to Bis-1,2-{[(Z)-2carboxy- 2-methyl-1,3-dioxane]- 5-yloxycarbonyl}-piperazine | Descriptor: | BIS-1,2-{[(Z)-2CARBOXY-2-METHYL-1,3-DIOXANE]-5-YLOXYCARBONYL}-PIPERAZINE, CALCIUM ION, Serum amyloid P-component | Authors: | Ho, J.G, Kitov, P.I, Paszkiewicz, E, Sadowska, J, Bundle, D.R, Ng, K.K. | Deposit date: | 2005-06-27 | Release date: | 2005-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Ligand-assisted Aggregation of Proteins: DIMERIZATION OF SERUM AMYLOID P COMPONENT BY BIVALENT LIGANDS. J.Biol.Chem., 280, 2005
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5IU0
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![BU of 5iu0 by Molmil](/molmil-images/mine/5iu0) | Rubisco from Arabidopsis thaliana | Descriptor: | 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Valegaard, K, Hasse, D, Gunn, L, Andersson, I. | Deposit date: | 2016-03-17 | Release date: | 2017-07-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Structure of Rubisco from Arabidopsis thaliana in complex with 2-carboxyarabinitol-1,5-bisphosphate. Acta Crystallogr D Struct Biol, 74, 2018
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4Y5Y
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![BU of 4y5y by Molmil](/molmil-images/mine/4y5y) | Diabody 330 complex with EpoR | Descriptor: | Erythropoietin receptor, GLYCEROL, diabody 330 VH domain, ... | Authors: | Moraga, I, Guo, F, Ozkan, E, Jude, K.M, Garcia, K.C. | Deposit date: | 2015-02-12 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands. Cell, 160, 2015
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2AVQ
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![BU of 2avq by Molmil](/molmil-images/mine/2avq) | Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, AND G73S | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, ... | Authors: | Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-30 | Release date: | 2006-01-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S. J.Mol.Biol., 354, 2005
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2AQ7
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![BU of 2aq7 by Molmil](/molmil-images/mine/2aq7) | Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli | Descriptor: | (5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | Authors: | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | Deposit date: | 2005-08-17 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli J.Med.Chem., 49, 2006
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1L9W
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![BU of 1l9w by Molmil](/molmil-images/mine/1l9w) | CRYSTAL STRUCTURE OF 3-DEHYDROQUINASE FROM SALMONELLA TYPHI COMPLEXED WITH REACTION PRODUCT | Descriptor: | 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE, 3-dehydroquinate dehydratase aroD | Authors: | Lee, W.H, Perles, L.A, Nagem, R.A.P, Shrive, A.K, Hawkins, A, Sawyer, L, Polikarpov, I. | Deposit date: | 2002-03-26 | Release date: | 2003-03-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Comparison of different crystal forms of 3-dehydroquinase from Salmonella typhi and its implication for the enzyme activity. Acta Crystallogr.,Sect.D, 58, 2002
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1G4F
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![BU of 1g4f by Molmil](/molmil-images/mine/1g4f) | NMR STRUCTURE OF THE FIFTH DOMAIN OF HUMAN BETA2-GLYCOPROTEIN I | Descriptor: | BETA2-GLYCOPROTEIN I | Authors: | Hoshino, M, Hagihara, Y, Nishii, I, Yamazaki, T, Kato, H, Goto, Y. | Deposit date: | 2000-10-27 | Release date: | 2000-11-15 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Identification of the phospholipid-binding site of human beta(2)-glycoprotein I domain V by heteronuclear magnetic resonance. J.Mol.Biol., 304, 2000
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2E86
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6BQB
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![BU of 6bqb by Molmil](/molmil-images/mine/6bqb) | MGG4 Fab in complex with peptide | Descriptor: | GLYCEROL, MGG4 Fab heavy chain, MGG4 Fab light chain, ... | Authors: | Oyen, D, Tan, J, Lanzavecchia, A, Wilson, I.A. | Deposit date: | 2017-11-27 | Release date: | 2018-03-07 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.769 Å) | Cite: | A public antibody lineage that potently inhibits malaria infection through dual binding to the circumsporozoite protein. Nat. Med., 24, 2018
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2AOE
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![BU of 2aoe by Molmil](/molmil-images/mine/2aoe) | crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog CA-P2 | Descriptor: | ACETIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. Febs J., 272, 2005
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3BEW
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![BU of 3bew by Molmil](/molmil-images/mine/3bew) | 10mer Crystal Structure of chicken MHC class I haplotype B21 | Descriptor: | 10-mer from Tubulin beta-6 chain, Beta-2-microglobulin, Major histocompatibility complex class I glycoprotein haplotype B21 | Authors: | Koch, M, Camp, S, Collen, T, Avila, D, Salomonsen, J, Wallny, H.J, van Hateren, A, Hunt, L, Jacob, J.P, Johnston, F, Marston, D.A, Shaw, I, Dunbar, P.R, Cerundolo, V, Jones, E.Y, Kaufman, J. | Deposit date: | 2007-11-20 | Release date: | 2008-01-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of an MHC class I molecule from b21 chickens illustrate promiscuous Peptide binding Immunity, 27, 2007
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2AOF
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![BU of 2aof by Molmil](/molmil-images/mine/2aof) | Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P1-P6 | Descriptor: | ACETIC ACID, CHLORIDE ION, PEPTIDE INHIBITOR, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. Febs J., 272, 2005
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1TAB
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![BU of 1tab by Molmil](/molmil-images/mine/1tab) | STRUCTURE OF THE TRYPSIN-BINDING DOMAIN OF BOWMAN-BIRK TYPE PROTEASE INHIBITOR AND ITS INTERACTION WITH TRYPSIN | Descriptor: | BOWMAN-BIRK TYPE PROTEINASE INHIBITOR, TRYPSIN | Authors: | Tsunogae, Y, Tanaka, I, Yamane, T, Kikkawa, J.-I, Ashida, T, Ishikawa, C, Watanabe, K, Nakamura, S, Takahashi, K. | Deposit date: | 1990-10-15 | Release date: | 1992-01-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the trypsin-binding domain of Bowman-Birk type protease inhibitor and its interaction with trypsin. J.Biochem.(Tokyo), 100, 1986
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1ZHN
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![BU of 1zhn by Molmil](/molmil-images/mine/1zhn) | Crystal Structure of mouse CD1d bound to the self ligand phosphatidylcholine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(DODECANOYLOXY)METHYL]-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-3,5,8-TRIOXA-4-PHOSPHADOTRIACONTAN-1-AMINIUM 4-OXIDE, CD1d1 antigen, ... | Authors: | Giabbai, B, Sidobre, S, Crispin, M.M.D, Sanchez Ruiz, Y, Bachi, A, Kronenberg, M, Wilson, I.A, Degano, M. | Deposit date: | 2005-04-26 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of mouse CD1d bound to the self ligand phosphatidylcholine: a molecular basis for NKT cell activation J.Immunol., 175, 2005
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1TOQ
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![BU of 1toq by Molmil](/molmil-images/mine/1toq) | CRYSTAL STRUCTURE OF A GALACTOSE SPECIFIC LECTIN FROM ARTOCARPUS HIRSUTA IN COMPLEX WITH METHYL-a-D-GALACTOSE | Descriptor: | AGGLUTININ ALPHA CHAIN, AGGLUTININ BETA CHAIN, methyl alpha-D-galactopyranoside | Authors: | Rao, K.N, Suresh, C.G, Katre, U.V, Gaikwad, S.M, Khan, M.I. | Deposit date: | 2004-06-15 | Release date: | 2004-08-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Two orthorhombic crystal structures of a galactose-specific lectin from Artocarpus hirsuta in complex with methyl-alpha-D-galactose. Acta Crystallogr.,Sect.D, 60, 2004
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2WKQ
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![BU of 2wkq by Molmil](/molmil-images/mine/2wkq) | Structure of a photoactivatable Rac1 containing the Lov2 C450A Mutant | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Wu, Y.I, Frey, D, Lungu, O.I, Jaehrig, A, Schlichting, I, Kuhlman, B, Hahn, K.M. | Deposit date: | 2009-06-16 | Release date: | 2009-08-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Genetically Encoded Photoactivatable Rac Controls the Motility of Living Cells. Nature, 461, 2009
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