8TN9
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![BU of 8tn9 by Molmil](/molmil-images/mine/8tn9) | Structural architecture of the acidic region of the B domain of coagulation factor V | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor V | Authors: | Mohammed, B.M, Basore, K, Summers, B, Pelc, L.A, Di Cera, E. | Deposit date: | 2023-08-01 | Release date: | 2023-10-04 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structural architecture of the acidic region of the B domain of coagulation factor V. J.Thromb.Haemost., 22, 2024
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6WS0
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3IEX
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![BU of 3iex by Molmil](/molmil-images/mine/3iex) | Schistosoma Purine nucleoside phosphorylase in complex with guanosine | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, GUANOSINE, ... | Authors: | Castilho, M.S, Pereira, H.M, Oliva, G, Andricopulo, A.D. | Deposit date: | 2009-07-23 | Release date: | 2010-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for selective inhibition of purine nucleoside phosphorylase from Schistosoma mansoni: kinetic and structural studies Bioorg.Med.Chem., 18, 2010
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3SEV
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![BU of 3sev by Molmil](/molmil-images/mine/3sev) | Zn-mediated Trimer of Maltose-binding Protein E310H/K314H by Synthetic Symmetrization | Descriptor: | CHLORIDE ION, Maltose-binding periplasmic protein, ZINC ION, ... | Authors: | Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O. | Deposit date: | 2011-06-11 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization. Protein Sci., 20, 2011
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3SEY
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![BU of 3sey by Molmil](/molmil-images/mine/3sey) | Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form II) | Descriptor: | ACETATE ION, GLYCEROL, Maltose-binding periplasmic protein, ... | Authors: | Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O. | Deposit date: | 2011-06-11 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization. Protein Sci., 20, 2011
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3SER
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![BU of 3ser by Molmil](/molmil-images/mine/3ser) | Zn-mediated Polymer of Maltose-binding Protein K26H/K30H by Synthetic Symmetrization | Descriptor: | CALCIUM ION, CHLORIDE ION, Maltose-binding periplasmic protein, ... | Authors: | Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O. | Deposit date: | 2011-06-11 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization. Protein Sci., 20, 2011
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3SEW
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![BU of 3sew by Molmil](/molmil-images/mine/3sew) | Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form I) | Descriptor: | CHLORIDE ION, GLYCEROL, Maltose-binding periplasmic protein, ... | Authors: | Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O. | Deposit date: | 2011-06-11 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization. Protein Sci., 20, 2011
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3SES
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![BU of 3ses by Molmil](/molmil-images/mine/3ses) | Cu-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization | Descriptor: | CHLORIDE ION, COPPER (II) ION, Maltose-binding periplasmic protein, ... | Authors: | Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O. | Deposit date: | 2011-06-11 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization. Protein Sci., 20, 2011
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3SET
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![BU of 3set by Molmil](/molmil-images/mine/3set) | Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form I) | Descriptor: | Maltose-binding periplasmic protein, NICKEL (II) ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O. | Deposit date: | 2011-06-11 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization. Protein Sci., 20, 2011
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3SEU
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![BU of 3seu by Molmil](/molmil-images/mine/3seu) | Zn-mediated Polymer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form III) | Descriptor: | ACETATE ION, GLYCEROL, Maltose-binding periplasmic protein, ... | Authors: | Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O. | Deposit date: | 2011-06-11 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization. Protein Sci., 20, 2011
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3SEX
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![BU of 3sex by Molmil](/molmil-images/mine/3sex) | Ni-mediated Dimer of Maltose-binding Protein A216H/K220H by Synthetic Symmetrization (Form II) | Descriptor: | IODIDE ION, Maltose-binding periplasmic protein, NICKEL (II) ION, ... | Authors: | Zhao, M, Soriaga, A.B, Laganowsky, A, Sawaya, M.R, Cascio, D, Yeates, T.O. | Deposit date: | 2011-06-11 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | An approach to crystallizing proteins by metal-mediated synthetic symmetrization. Protein Sci., 20, 2011
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6H0U
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![BU of 6h0u by Molmil](/molmil-images/mine/6h0u) | Glycogen synthase kinase-3 beta (GSK3) complex with a covalent [1,2,4]triazolo[1,5-a][1,3,5]triazine inhibitor | Descriptor: | (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Marcovich, I, Demitri, N, De Zorzi, R, Storici, P. | Deposit date: | 2018-07-10 | Release date: | 2019-05-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Triazolotriazine-Based Dual GSK-3 beta /CK-1 delta Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition. Chemmedchem, 14, 2019
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7MP3
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2WJV
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![BU of 2wjv by Molmil](/molmil-images/mine/2wjv) | Crystal structure of the complex between human nonsense mediated decay factors UPF1 and UPF2 | Descriptor: | REGULATOR OF NONSENSE TRANSCRIPTS 1, REGULATOR OF NONSENSE TRANSCRIPTS 2, SULFATE ION, ... | Authors: | Clerici, M, Mourao, A, Gutsche, I, Gehring, N.H, Hentze, M.W, Kulozik, A, Kadlec, J, Sattler, M, Cusack, S. | Deposit date: | 2009-06-01 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Unusual Bipartite Mode of Interaction between the Nonsense-Mediated Decay Factors, Upf1 and Upf2. Embo J., 28, 2009
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3BGC
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![BU of 3bgc by Molmil](/molmil-images/mine/3bgc) | HIV-1 protease in complex with a benzyl decorated oligoamine | Descriptor: | CHLORIDE ION, N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide), Protease | Authors: | Boettcher, J, Blum, A, Sammet, B, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2007-11-26 | Release date: | 2008-09-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors Bioorg.Med.Chem., 16, 2008
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4GYE
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![BU of 4gye by Molmil](/molmil-images/mine/4gye) | MDR 769 HIV-1 Protease in Complex with Reduced P1F | Descriptor: | P1F peptide, Protease | Authors: | Dewdney, T.G, Wang, Y, Brunzelle, J, Reiter, S.J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2012-09-05 | Release date: | 2013-10-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease. Bioorg.Med.Chem., 21, 2013
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2WJY
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![BU of 2wjy by Molmil](/molmil-images/mine/2wjy) | Crystal structure of the complex between human nonsense mediated decay factors UPF1 and UPF2 Orthorhombic form | Descriptor: | REGULATOR OF NONSENSE TRANSCRIPTS 1, SULFATE ION, ZINC ION | Authors: | Clerici, M, Mourao, A, Gutsche, I, Gehring, N.H, Hentze, M.W, Kulozik, A, Kadlec, J, Sattler, M, Cusack, S. | Deposit date: | 2009-06-01 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Unusual Bipartite Mode of Interaction between the Nonsense-Mediated Decay Factors, Upf1 and Upf2. Embo J., 28, 2009
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3BGB
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![BU of 3bgb by Molmil](/molmil-images/mine/3bgb) | HIV-1 protease in complex with a isobutyl decorated oligoamine | Descriptor: | CHLORIDE ION, N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide], Protease | Authors: | Boettcher, J, Blum, A, Sammet, B, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2007-11-26 | Release date: | 2008-09-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors Bioorg.Med.Chem., 16, 2008
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4GZF
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![BU of 4gzf by Molmil](/molmil-images/mine/4gzf) | Multi-drug resistant HIV-1 protease 769 variant with reduced LrF peptide | Descriptor: | LrF peptide, Protease | Authors: | Dewdney, T.G, Wang, Y, Kovari, I.A, Brunzelle, J.S, Reiter, S.J, Kovari, L.C. | Deposit date: | 2012-09-06 | Release date: | 2013-10-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease. Bioorg.Med.Chem., 21, 2013
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4J27
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4J28
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![BU of 4j28 by Molmil](/molmil-images/mine/4j28) | Crystal structure of a gh29 alpha-l-fucosidase gh29 from bacteroides thetaiotaomicron in complex with a 5-membered iminocyclitol inhibitor | Descriptor: | (2S,3S,4R,5S)-2-(1H-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol, Alpha-L-fucosidase, GLYCEROL, ... | Authors: | Wright, D.W. | Deposit date: | 2013-02-04 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Three dimensional structure of a bacterial alpha-l-fucosidase with a 5-membered iminocyclitol inhibitor. Bioorg.Med.Chem., 21, 2013
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6R8Q
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![BU of 6r8q by Molmil](/molmil-images/mine/6r8q) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A BENZOTRIAZOLE FRAGMENT | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Ruza, R.R, Vecchia, L, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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6R8P
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![BU of 6r8p by Molmil](/molmil-images/mine/6r8p) | Notum fragment 723 | Descriptor: | 2-(2-methylphenoxy)-~{N}-pyridin-3-yl-ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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6JEZ
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![BU of 6jez by Molmil](/molmil-images/mine/6jez) | Covalent labeling of rVDR-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization | Descriptor: | (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, 7-(diethylamino)chromen-2-one, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Kojima, H, Yamamoto, K, Itoh, T. | Deposit date: | 2019-02-07 | Release date: | 2020-02-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins. Cell Chem Biol, 27, 2020
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6R8R
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![BU of 6r8r by Molmil](/molmil-images/mine/6r8r) | Structure of the Wnt deacylase Notum in complex with isoquinoline 45 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Vecchia, L, Zhao, Y, Ruza, R.R, Jones, E.Y. | Deposit date: | 2019-04-02 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Discovery of 2-phenoxyacetamides as inhibitors of the Wnt-depalmitoleating enzyme NOTUM from an X-ray fragment screen. Medchemcomm, 10, 2019
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