5TFF
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![BU of 5tff by Molmil](/molmil-images/mine/5tff) | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with UTP | Descriptor: | Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | Deposit date: | 2016-09-25 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.891 Å) | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain To Be Published
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2DY5
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![BU of 2dy5 by Molmil](/molmil-images/mine/2dy5) | Crystal structure of rat heme oxygenase-1 in complex with heme and 2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolane | Descriptor: | 1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE, CHLORIDE ION, Heme oxygenase 1, ... | Authors: | Sugishima, M, Takahashi, H, Fukuyama, K. | Deposit date: | 2006-09-06 | Release date: | 2007-05-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | X-ray crystallographic and biochemical characterization of the inhibitory action of an imidazole-dioxolane compound on heme oxygenase Biochemistry, 46, 2007
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1YEC
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![BU of 1yec by Molmil](/molmil-images/mine/1yec) | |
2WFQ
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![BU of 2wfq by Molmil](/molmil-images/mine/2wfq) | Crystal structure of the N-terminal signalling domain of human Dhh without calcium | Descriptor: | DESERT HEDGEHOG PROTEIN N-PRODUCT, SULFATE ION, ZINC ION | Authors: | Bishop, B, Aricescu, A.R, Harlos, K, O'Callaghan, C.A, Jones, E.Y, Siebold, C. | Deposit date: | 2009-04-14 | Release date: | 2009-06-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Insights Into Hedgehog Ligand Sequestration by the Human Hedgehog-Interacting Protein Hip Nat.Struct.Mol.Biol., 16, 2009
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3FA8
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![BU of 3fa8 by Molmil](/molmil-images/mine/3fa8) | |
3FI4
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![BU of 3fi4 by Molmil](/molmil-images/mine/3fi4) | P38 kinase crystal structure in complex with RO4499 | Descriptor: | (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol, Mitogen-activated protein kinase 14 | Authors: | Kuglstatter, A, Knapp, M, Dunten, P. | Deposit date: | 2008-12-10 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity To be Published
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1GAW
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![BU of 1gaw by Molmil](/molmil-images/mine/1gaw) | |
3FEN
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![BU of 3fen by Molmil](/molmil-images/mine/3fen) | |
3AUR
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![BU of 3aur by Molmil](/molmil-images/mine/3aur) | Crystal structure of the human vitamin D receptor ligand binding domain complexed with Yne-diene type analog of active 14-epi-2beta-methyl-19-norvitamin D3 | Descriptor: | (1R,2S,3R)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethynyl]-2-methyl-cyclohex-4-ene-1,3-diol, Vitamin D3 receptor | Authors: | Kakuda, S, Takimoto-Kamimura, M. | Deposit date: | 2011-02-15 | Release date: | 2011-09-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Development of 14-epi-19-nortachysterol and its unprecedented binding configuration for the human vitamin D receptor J.Am.Chem.Soc., 133, 2011
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5URV
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![BU of 5urv by Molmil](/molmil-images/mine/5urv) | Crystal structure of Frizzled 7 CRD in complex with C24 fatty acid | Descriptor: | (15E)-TETRACOS-15-ENOIC ACID, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mukund, S, Nile, A.H, Stanger, K, Hannoush, R.N, Wang, W. | Deposit date: | 2017-02-13 | Release date: | 2017-05-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Unsaturated fatty acyl recognition by Frizzled receptors mediates dimerization upon Wnt ligand binding. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5URZ
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![BU of 5urz by Molmil](/molmil-images/mine/5urz) | Crystal structure of Frizzled 5 CRD in complex with BOG | Descriptor: | Frizzled-5, alpha-L-fucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, octyl beta-D-glucopyranoside | Authors: | Mukund, S, Nile, A.H, Stanger, K, Hannoush, R.N, Wang, W. | Deposit date: | 2017-02-13 | Release date: | 2017-05-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Unsaturated fatty acyl recognition by Frizzled receptors mediates dimerization upon Wnt ligand binding. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1Z8H
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![BU of 1z8h by Molmil](/molmil-images/mine/1z8h) | |
5SWS
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![BU of 5sws by Molmil](/molmil-images/mine/5sws) | Crystal Structure of NP2-B17 TCR-H2Db-NP complex | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Gras, S, Del Campo, C.M, Farenc, C, Josephs, T.M, Rossjohn, J. | Deposit date: | 2016-08-08 | Release date: | 2016-10-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Reversed T Cell Receptor Docking on a Major Histocompatibility Class I Complex Limits Involvement in the Immune Response. Immunity, 45, 2016
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2BEE
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![BU of 2bee by Molmil](/molmil-images/mine/2bee) | Complex Between Paromomycin derivative JS4 and the 16S-Rrna A Site | Descriptor: | (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-4-(2-(3-AMINOPROPYLAMINO)ETHOXY)-5-((1R,2R,3S,5R,6S)-3,5-DIAM INO-2-((2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-( HYDROXYMETHYL)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3' | Authors: | Francois, B, Westhof, E. | Deposit date: | 2005-10-24 | Release date: | 2005-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site ANGEW.CHEM.INT.ED.ENGL., 43, 2004
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2WSC
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![BU of 2wsc by Molmil](/molmil-images/mine/2wsc) | Improved Model of Plant Photosystem I | Descriptor: | 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, AT3G54890, BETA-CAROTENE, ... | Authors: | Amunts, A, Toporik, H, Borovikov, A, Nelson, N. | Deposit date: | 2009-09-04 | Release date: | 2009-11-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure Determination and Improved Model of Plant Photosystem I. J.Biol.Chem., 285, 2010
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2WTG
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![BU of 2wtg by Molmil](/molmil-images/mine/2wtg) | High resolution 3D structure of C.elegans globin-like protein GLB-1 | Descriptor: | GLOBIN-LIKE PROTEIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Geuens, E, Hoogewijs, D, Nardini, M, Vinck, E, Pesce, A, Kiger, L, Fago, A, Tilleman, L, De Henau, S, Marden, M, Weber, R.E, Van Doorslaer, S, Vanfleteren, J, Moens, L, Bolognesi, M, Dewilde, S. | Deposit date: | 2009-09-16 | Release date: | 2010-04-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Globin-Like Proteins in Caenorhabditis Elegans: In Vivo Localization, Ligand Binding and Structural Properties. Bmc Biochem., 11, 2010
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2WSE
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![BU of 2wse by Molmil](/molmil-images/mine/2wse) | Improved Model of Plant Photosystem I | Descriptor: | 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, AT3G54890, BETA-CAROTENE, ... | Authors: | Amunts, A, Toporik, H, Borovikov, A, Nelson, N. | Deposit date: | 2009-09-05 | Release date: | 2009-11-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Structure determination and improved model of plant photosystem I J. Biol. Chem., 285, 2010
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5TWM
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![BU of 5twm by Molmil](/molmil-images/mine/5twm) | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA-dependent RNA POLYMERASE, ... | Authors: | Sheriff, S. | Deposit date: | 2016-11-14 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase. Medchemcomm, 8, 2017
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2E1N
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3CX2
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![BU of 3cx2 by Molmil](/molmil-images/mine/3cx2) | Crystal structure of the C1 domain of cardiac isoform of myosin binding protein-C at 1.3A | Descriptor: | Myosin-binding protein C, cardiac-type | Authors: | Fisher, S.J, Helliwell, J.R, Khurshid, S, Govada, L, Redwood, C, Squire, J.M, Chayen, N.E. | Deposit date: | 2008-04-23 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | An investigation into the protonation states of the C1 domain of cardiac myosin-binding protein C Acta Crystallogr.,Sect.D, 64, 2008
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5SWI
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![BU of 5swi by Molmil](/molmil-images/mine/5swi) | Crystal structure of SpGH92 in complex with mannose | Descriptor: | CALCIUM ION, GLYCEROL, Sugar hydrolase, ... | Authors: | Shapiro-Ward, S, Boraston, A.B. | Deposit date: | 2016-08-08 | Release date: | 2016-12-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular Characterization of N-glycan Degradation and Transport in Streptococcus pneumoniae and Its Contribution to Virulence. PLoS Pathog., 13, 2017
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5T44
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![BU of 5t44 by Molmil](/molmil-images/mine/5t44) | Crystal structure of Frizzled 7 CRD | Descriptor: | Frizzled-7 | Authors: | Mukund, S, Nile, A.H, Stanger, K, Hannous, R.H, Wang, W. | Deposit date: | 2016-08-29 | Release date: | 2017-04-05 | Last modified: | 2017-05-03 | Method: | X-RAY DIFFRACTION (1.9944 Å) | Cite: | Unsaturated fatty acyl recognition by Frizzled receptors mediates dimerization upon Wnt ligand binding. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5SVH
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![BU of 5svh by Molmil](/molmil-images/mine/5svh) | |
5SWB
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![BU of 5swb by Molmil](/molmil-images/mine/5swb) | |
1OR8
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![BU of 1or8 by Molmil](/molmil-images/mine/1or8) | Structure of the Predominant protein arginine methyltransferase PRMT1 | Descriptor: | GLYCEROL, Protein arginine N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Zhang, X, Cheng, X. | Deposit date: | 2003-03-12 | Release date: | 2003-08-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the Predominant Protein Arginine Methyltransferase PRMT1 and Analysis of Its Binding to Substrate Peptides Structure, 11, 2003
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