2I53
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![BU of 2i53 by Molmil](/molmil-images/mine/2i53) | Crystal structure of Cyclin K | Descriptor: | ACETATE ION, Cyclin K | Authors: | Baek, K, Brown, R.S, Birrane, G, Ladias, J.A.A. | Deposit date: | 2006-08-23 | Release date: | 2007-01-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of Human Cyclin K, a Positive Regulator of Cyclin-dependent Kinase 9. J.Mol.Biol., 366, 2007
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2ING
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![BU of 2ing by Molmil](/molmil-images/mine/2ing) | X-ray Structure of the BRCA1 BRCT mutant M1775K | Descriptor: | Breast cancer type 1 susceptibility protein, COBALT (II) ION, SULFATE ION | Authors: | Birrane, G, Soni, A, Ladias, J.A.A. | Deposit date: | 2006-10-07 | Release date: | 2007-09-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Pathogenicity of the BRCA1 missense variant M1775K is determined by the disruption of the BRCT phosphopeptide-binding pocket: a multi-modal approach. Eur.J.Hum.Genet., 16, 2008
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2KG2
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![BU of 2kg2 by Molmil](/molmil-images/mine/2kg2) | Solution structure of a PDZ protein | Descriptor: | Tax1-binding protein 3 | Authors: | Durney, M.A, Birrane, G, Anklin, C, Soni, A, Ladias, J.A.A. | Deposit date: | 2009-03-02 | Release date: | 2010-01-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the human Tax-interacting protein-1. J.Biomol.Nmr, 45, 2009
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2K71
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![BU of 2k71 by Molmil](/molmil-images/mine/2k71) | Structure and dynamics of a DNA GNRA hairpin solved vy high-sensitivity NMR with two independent converging methods, simulated annealing (DYANA) and mesoscopic molecular modelling (BCE/AMBER) | Descriptor: | 5'-D(*DGP*DCP*DGP*DAP*DAP*DAP*DGP*DC)-3' | Authors: | Santini, G.P.H, Cognet, J.A.H, Xu, D, Singarapu, K.K, Herve du Penhoat, C.L.M. | Deposit date: | 2008-07-29 | Release date: | 2009-07-21 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Nucleic acid folding determined by mesoscale modeling and NMR spectroscopy: solution structure of d(GCGAAAGC). J.Phys.Chem.B, 113, 2009
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3KPC
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![BU of 3kpc by Molmil](/molmil-images/mine/3kpc) | Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100 | Authors: | Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A. | Deposit date: | 2009-11-16 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair. J.Mol.Biol., 396, 2010
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8SF8
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![BU of 8sf8 by Molmil](/molmil-images/mine/8sf8) | Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-4-methylpentanamide | Descriptor: | N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Coker, J.A, Arya, T, Goins, C.M, Maw, J.J, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2023-04-10 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase. J.Med.Chem., 67, 2024
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3KPD
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![BU of 3kpd by Molmil](/molmil-images/mine/3kpd) | Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine. | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100 | Authors: | Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Chantar, M.L, Martinez-Cruz, L.A. | Deposit date: | 2009-11-16 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair. J.Mol.Biol., 396, 2010
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3KPB
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![BU of 3kpb by Molmil](/molmil-images/mine/3kpb) | Crystal Structure of the CBS domain pair of protein MJ0100 in complex with 5 -methylthioadenosine and S-adenosyl-L-methionine. | Descriptor: | GLYCEROL, S-ADENOSYLMETHIONINE, Uncharacterized protein MJ0100 | Authors: | Lucas, M, Oyenarte, I, Garcia, I.G, Arribas, E.A, Encinar, J.A, Kortazar, D, Fernandez, J.A, Mato, J.M, Martinez-Cruz, L.A. | Deposit date: | 2009-11-16 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Binding of S-Methyl-5'-Thioadenosine and S-Adenosyl-l-Methionine to Protein MJ0100 Triggers an Open-to-Closed Conformational Change in Its CBS Motif Pair. J.Mol.Biol., 396, 2010
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1I92
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![BU of 1i92 by Molmil](/molmil-images/mine/1i92) | STRUCTURAL BASIS OF THE NHERF PDZ1-CFTR INTERACTION | Descriptor: | CHLORIDE ION, NA+/H+ EXCHANGE REGULATORY CO-FACTOR | Authors: | Karthikeyan, S, Leung, T, Ladias, J.A.A. | Deposit date: | 2001-03-16 | Release date: | 2001-06-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of the Na+/H+ exchanger regulatory factor PDZ1 interaction with the carboxyl-terminal region of the cystic fibrosis transmembrane conductance regulator. J.Biol.Chem., 276, 2001
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5KZQ
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![BU of 5kzq by Molmil](/molmil-images/mine/5kzq) | Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | Descriptor: | (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | Authors: | Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P. | Deposit date: | 2016-07-25 | Release date: | 2016-12-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity. J. Med. Chem., 59, 2016
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3RU4
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![BU of 3ru4 by Molmil](/molmil-images/mine/3ru4) | Crystal structure of the Bowman-Birk serine protease inhibitor BTCI in complex with trypsin and chymotrypsin | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, Bowman-Birk type seed trypsin and chymotrypsin inhibitor, ... | Authors: | Esteves, G.F, Santos, C.R, Ventura, M.M, Barbosa, J.A.R.G, Freitas, S.M. | Deposit date: | 2011-05-04 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystal structure of the Bowman-Birk serine protease inhibitor BTCI in complex with trypsin and chymotrypsin To be Published
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1VIN
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![BU of 1vin by Molmil](/molmil-images/mine/1vin) | |
1E9J
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![BU of 1e9j by Molmil](/molmil-images/mine/1e9j) | SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC GONADOTROPIN [INCLUDING A SINGLE GLCNAC RESIDUE AT ASN52 AND ASN78] | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHORIONIC GONADOTROPIN | Authors: | Erbel, P.J.A, Karimi-Nejad, Y, van Kuik, J.A, Boelens, R, Kamerling, J.P, Vliegenthart, J.F.G. | Deposit date: | 2000-10-18 | Release date: | 2002-07-25 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Effects of the N-linked glycans on the 3D structure of the free alpha-subunit of human chorionic gonadotropin. Biochemistry, 39, 2000
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6I59
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![BU of 6i59 by Molmil](/molmil-images/mine/6i59) | Long wavelength native-SAD phasing of Sen1 helicase | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Basu, S, Olieric, V, Matsugaki, N, Kawano, Y, Takashi, T, Huang, C.Y, Leonarski, F, Yamada, Y, Vera, L, Olieric, N, Basquin, J, Wojdyla, J.A, Diederichs, K, Yamamoto, M, Bunk, O, Wang, M. | Deposit date: | 2018-11-13 | Release date: | 2019-03-13 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Long-wavelength native-SAD phasing: opportunities and challenges. Iucrj, 6, 2019
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3CMY
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![BU of 3cmy by Molmil](/molmil-images/mine/3cmy) | Structure of a homeodomain in complex with DNA | Descriptor: | 1,2-ETHANEDIOL, 5'-D(*DAP*DCP*DAP*DTP*DAP*DAP*DP*DCP*DGP*DAP*DTP*DTP*DAP*DC)-3', 5'-D(*DTP*DGP*DTP*DAP*DAP*DTP*DCP*DGP*DAP*DTP*DTP*DAP*DTP*DG)-3', ... | Authors: | Birrane, G, Ladias, J.A.A, Soni, A. | Deposit date: | 2008-03-24 | Release date: | 2009-02-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Basis for DNA Recognition by the Human PAX3 Homeodomain. Biochemistry, 48, 2009
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7LZM
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![BU of 7lzm by Molmil](/molmil-images/mine/7lzm) | COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS | Descriptor: | CHLORIDE ION, T4 LYSOZYME | Authors: | Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W. | Deposit date: | 1991-01-25 | Release date: | 1992-07-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths. Proteins, 10, 1991
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7PUS
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![BU of 7pus by Molmil](/molmil-images/mine/7pus) | ERK5 in complex with Pyrrole Carboxamide scaffold | Descriptor: | 4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide, Mitogen-activated protein kinase 7 | Authors: | Tucker, J.A, Martin, M.P, Endicott, J.A, Noble, M.E.N. | Deposit date: | 2021-09-30 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Parallel Optimization of Potency and Pharmacokinetics Leading to the Discovery of a Pyrrole Carboxamide ERK5 Kinase Domain Inhibitor. J.Med.Chem., 65, 2022
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5D6P
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![BU of 5d6p by Molmil](/molmil-images/mine/5d6p) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-12 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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4KAG
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![BU of 4kag by Molmil](/molmil-images/mine/4kag) | Crystal structure analysis of a single amino acid deletion mutation in EGFP | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein, ... | Authors: | Arpino, J.A.J, Rizkallah, P.J. | Deposit date: | 2013-04-22 | Release date: | 2014-08-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Structural and dynamic changes associated with beneficial engineered single-amino-acid deletion mutations in enhanced green fluorescent protein. Acta Crystallogr.,Sect.D, 70, 2014
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4KA9
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![BU of 4ka9 by Molmil](/molmil-images/mine/4ka9) | |
7UMK
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![BU of 7umk by Molmil](/molmil-images/mine/7umk) | Structure of vesicular stomatitis virus (helical reconstruction, 4.1 A resolution) | Descriptor: | Matrix protein, Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*U)-3') | Authors: | Jenni, S, Horwitz, J.A, Bloyet, L.-M, Whelan, S.P.J, Harrison, S.C. | Deposit date: | 2022-04-07 | Release date: | 2022-04-20 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Visualizing molecular interactions that determine assembly of a bullet-shaped vesicular stomatitis virus particle. Nat Commun, 13, 2022
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7UML
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![BU of 7uml by Molmil](/molmil-images/mine/7uml) | Structure of vesicular stomatitis virus (local reconstruction, 3.5 A resolution) | Descriptor: | Matrix protein, Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3') | Authors: | Jenni, S, Horwitz, J.A, Bloyet, L.-M, Whelan, S.P.J, Harrison, S.C. | Deposit date: | 2022-04-07 | Release date: | 2022-04-20 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Visualizing molecular interactions that determine assembly of a bullet-shaped vesicular stomatitis virus particle. Nat Commun, 13, 2022
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4LUP
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![BU of 4lup by Molmil](/molmil-images/mine/4lup) | Crystal structure of the complex formed by region of E. coli sigmaE bound to its -10 element non template strand | Descriptor: | 1,2-ETHANEDIOL, RNA polymerase sigma factor, region 2 of sigmaE of E. coli | Authors: | Campagne, S, Marsh, M.E, Vorholt, J.A.V, Allain, F.H.-T, Capitani, G. | Deposit date: | 2013-07-25 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural basis for -10 promoter element melting by environmentally induced sigma factors. Nat.Struct.Mol.Biol., 21, 2014
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1O9A
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![BU of 1o9a by Molmil](/molmil-images/mine/1o9a) | Solution structure of the complex of 1F12F1 from fibronectin with B3 from FnBB from S. dysgalactiae | Descriptor: | FIBRONECTIN, FIBRONECTIN BINDING PROTEIN | Authors: | Schwarz-Linek, U, Werner, J.M, Pickford, A.R, Pilka, E.S, Gurusiddappa, S, Briggs, J.A.G, Hook, M, Campbell, I.D, Potts, J.R. | Deposit date: | 2002-12-11 | Release date: | 2003-05-08 | Last modified: | 2018-01-24 | Method: | SOLUTION NMR | Cite: | Pathogenic bacteria attach to human fibronectin through a tandem beta-zipper. Nature, 423, 2003
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4KEX
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![BU of 4kex by Molmil](/molmil-images/mine/4kex) | |