6WHZ
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![BU of 6whz by Molmil](/molmil-images/mine/6whz) | Histone deacetylases complex with peptide macrocycles | Descriptor: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WI3
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![BU of 6wi3 by Molmil](/molmil-images/mine/6wi3) | Histone deacetylases complex with peptide macrocycles | Descriptor: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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2M8H
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2MDG
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![BU of 2mdg by Molmil](/molmil-images/mine/2mdg) | Solution NMR Structure of Zinc finger protein 423 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7298F | Descriptor: | ZINC ION, Zinc finger protein 423 | Authors: | Pederson, K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Prestegard, J.H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-09-10 | Release date: | 2013-09-25 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of Zinc finger protein 423 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7298F To be Published
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5AG7
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![BU of 5ag7 by Molmil](/molmil-images/mine/5ag7) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINE LIGAND | Descriptor: | GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2015-01-29 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode. Chemmedchem, 10, 2015
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2MBO
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2M83
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![BU of 2m83 by Molmil](/molmil-images/mine/2m83) | |
5A42
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![BU of 5a42 by Molmil](/molmil-images/mine/5a42) | Cryo-EM single particle 3D reconstruction of the native conformation of E. coli alpha-2-macroglobulin (ECAM) | Descriptor: | UNCHARACTERIZED LIPOPROTEIN YFHM | Authors: | Garcia-Ferrer, I, Arede, P, Gomez-Blanco, J, Luque, D, Duquerroy, S, Caston, J.R, Goulas, T, Gomis-Ruth, F.X. | Deposit date: | 2015-06-04 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (16 Å) | Cite: | Structural and Functional Insights Into Escherichia Coli Alpha2- Macroglobulin Endopeptidase Snap-Trap Inhibition. Proc.Natl.Acad.Sci.USA, 112, 2015
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2MK7
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4ZRT
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![BU of 4zrt by Molmil](/molmil-images/mine/4zrt) | PTP1BC215S bound to Nephrin peptide substrate | Descriptor: | CHLORIDE ION, GLY-PRO-LEU-PTR-ASP-GLU, GLYCEROL, ... | Authors: | Selner, N.G, Bell, C.E, Pei, D. | Deposit date: | 2015-05-12 | Release date: | 2015-06-24 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Diverse levels of sequence selectivity and catalytic efficiency of protein-tyrosine phosphatases. Biochemistry, 53, 2014
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2M0U
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![BU of 2m0u by Molmil](/molmil-images/mine/2m0u) | Complex structure of C-terminal CFTR peptide and extended PDZ1 domain from NHERF1 | Descriptor: | C-terminal CFTR peptide, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Bhattacharya, S, Ju, J.H, Cowburn, D, Bu, Z. | Deposit date: | 2012-11-06 | Release date: | 2013-04-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1. J.Mol.Biol., 425, 2013
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5ADY
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![BU of 5ady by Molmil](/molmil-images/mine/5ady) | Cryo-EM structures of the 50S ribosome subunit bound with HflX | Descriptor: | 23S RRNA, 50S RIBOSOMAL PROTEIN L1, 50S RIBOSOMAL PROTEIN L10, ... | Authors: | Zhang, Y, Mandava, C.S, Cao, W, Li, X, Zhang, D, Li, N, Zhang, Y, Zhang, X, Qin, Y, Mi, K, Lei, J, Sanyal, S, Gao, N. | Deposit date: | 2015-08-25 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Hflx is a Ribosome Splitting Factor Rescuing Stalled Ribosomes Under Stress Conditions Nat.Struct.Mol.Biol., 22, 2015
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2M89
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![BU of 2m89 by Molmil](/molmil-images/mine/2m89) | Solution structure of the Aha1 dimer from Colwellia psychrerythraea | Descriptor: | Aha1 domain protein | Authors: | Rossi, P, Sgourakis, N.G, Shi, L, Liu, G, Barbieri, C.M, Lee, H, Grant, T.D, Luft, J.R, Xiao, R, Acton, T.B, Montelione, G.T, Snell, E.H, Baker, D, Lange, O.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-05-09 | Release date: | 2013-09-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR, SOLUTION SCATTERING | Cite: | A hybrid NMR/SAXS-based approach for discriminating oligomeric protein interfaces using Rosetta. Proteins, 83, 2015
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2M0M
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![BU of 2m0m by Molmil](/molmil-images/mine/2m0m) | Structural Characterization of Minor Ampullate Spidroin Domains and their Distinct Roles in Fibroin Solubility and Fiber Formation | Descriptor: | Minor ampullate fibroin 1 | Authors: | Yang, D, Gao, Z, Lin, Z, Huang, W, Lai, C, Fan, J. | Deposit date: | 2012-10-30 | Release date: | 2013-03-27 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural characterization of minor ampullate spidroin domains and their distinct roles in fibroin solubility and fiber formation Plos One, 8, 2013
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5AL8
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![BU of 5al8 by Molmil](/molmil-images/mine/5al8) | Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: daidzein-7-O- glucuronide | Descriptor: | DAIDZEIN-7-O-GLUCURONIDE, TRANSTHYRETIN | Authors: | Florio, P, Foll, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R. | Deposit date: | 2015-03-06 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites J.Biol.Chem., 290, 2015
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2M0D
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2MNH
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![BU of 2mnh by Molmil](/molmil-images/mine/2mnh) | Refined structure of outer membrane protein x in nanodisc by measuring residual dipolar couplings | Descriptor: | Outer membrane protein X | Authors: | Bibow, S, Carneiro, M.G, Sabo, T.M, Schwiegk, C, Becker, S, Riek, R, Lee, D. | Deposit date: | 2014-04-05 | Release date: | 2015-03-18 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Measuring membrane protein bond orientations in nanodiscs via residual dipolar couplings. Protein Sci., 23, 2014
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5A8U
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![BU of 5a8u by Molmil](/molmil-images/mine/5a8u) | Crystal structure of Orgyia pseudotsugata CPV5 polyhedra | Descriptor: | POLYHEDRIN | Authors: | Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.609 Å) | Cite: | Polyhedra Structures and the Evolution of the Insect Viruses. J.Struct.Biol., 192, 2015
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6WMK
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![BU of 6wmk by Molmil](/molmil-images/mine/6wmk) | Crystal structure of beta sheet heterodimer LHD29 | Descriptor: | Beta sheet heterodimer LHD29 - Chain A, Beta sheet heterodimer LHD29 - Chain B | Authors: | Bera, A.K, Sahtoe, D.D, Kang, A, Sankaran, B, Baker, D. | Deposit date: | 2020-04-21 | Release date: | 2021-11-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Reconfigurable asymmetric protein assemblies through implicit negative design. Science, 375, 2022
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5A2K
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![BU of 5a2k by Molmil](/molmil-images/mine/5a2k) | Crystal structure of scFv-SM3 in complex with APD-TGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5A3E
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5AG9
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![BU of 5ag9 by Molmil](/molmil-images/mine/5ag9) | CRYSTAL STRUCTURE OF A MUTANT (665sXa) C-TERMINAL DOMAIN OF RGPB | Descriptor: | Gingipain R2, SULFATE ION | Authors: | de Diego, I, Ksiazek, M, Mizgalska, D, Golik, P, Szmigielski, B, Nowak, M, Nowakowska, Z, Potempa, B, Koneru, L, Nguyen, K.A, Enghild, J, Thogersen, I.B, Dubin, G, Gomis-Ruth, F.X, Potempa, J. | Deposit date: | 2015-01-29 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The outer-membrane export signal of Porphyromonas gingivalis type IX secretion system (T9SS) is a conserved C-terminal beta-sandwich domain. Sci Rep, 6, 2016
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5A3Z
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![BU of 5a3z by Molmil](/molmil-images/mine/5a3z) | Structure of monoclinic Lysozyme obtained by multi crystal data collection | Descriptor: | GLYCEROL, LYSOZYME, NITRATE ION | Authors: | Zander, U, Bourenkov, G, Popov, A.N, de Sanctis, D, McCarthy, A.A, Svensson, O, Round, E.S, Gordeliy, V.I, Mueller-Dieckmann, C, Leonard, G.A. | Deposit date: | 2015-06-04 | Release date: | 2015-11-11 | Last modified: | 2015-11-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Meshandcollect: An Automated Multi-Crystal Data-Collection Workflow for Synchrotron Macromolecular Crystallography Beamlines. Acta Crystallogr.,Sect.D, 71, 2015
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5A45
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![BU of 5a45 by Molmil](/molmil-images/mine/5a45) | Structure of Bacteriorhodopsin obtained from 5um crystals by multi crystal data collection | Descriptor: | BACTERIORHODOPSIN, RETINAL | Authors: | Zander, U, Bourenkov, G, Popov, A.N, de Sanctis, D, McCarthy, A.A, Svensson, O, Round, E.S, Gordeliy, V.I, Mueller-Dieckmann, C, Leonard, G.A. | Deposit date: | 2015-06-05 | Release date: | 2015-11-11 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Meshandcollect: An Automated Multi-Crystal Data-Collection Workflow for Synchrotron Macromolecular Crystallography Beamlines. Acta Crystallogr.,Sect.D, 71, 2015
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5ABT
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![BU of 5abt by Molmil](/molmil-images/mine/5abt) | S.enterica HisA mutant D7N, G102A, V106M, D176A | Descriptor: | 1-(5-PHOSPHORIBOSYL)-5-[(5-PHOSPHORIBOSYLAMINO) METHYLIDENE AMINO] IMIDAZOLE-4-CARBOXAMIDE ISOMERASE, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2015-08-08 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The Protein Structures, Functions and Dynamics of Adaptive Evolution To be Published
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