3TDH
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![BU of 3tdh by Molmil](/molmil-images/mine/3tdh) | Structure of the regulatory fragment of sccharomyces cerevisiae AMPK in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ... | Authors: | Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmidt, M.C, Gamblin, S.J, Carling, D. | Deposit date: | 2011-08-11 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase. Cell Metab, 14, 2011
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1CFF
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![BU of 1cff by Molmil](/molmil-images/mine/1cff) | NMR SOLUTION STRUCTURE OF A COMPLEX OF CALMODULIN WITH A BINDING PEPTIDE OF THE CA2+-PUMP | Descriptor: | CALCIUM ION, CALCIUM PUMP, CALMODULIN | Authors: | Elshorst, B, Hennig, M, Foersterling, H, Diener, A, Maurer, M, Schulte, P, Schwalbe, H, Krebs, J, Schmid, H, Vorherr, T, Carafoli, E, Griesinger, C. | Deposit date: | 1999-03-18 | Release date: | 1999-09-24 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR solution structure of a complex of calmodulin with a binding peptide of the Ca2+ pump. Biochemistry, 38, 1999
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3NN1
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![BU of 3nn1 by Molmil](/molmil-images/mine/3nn1) | Structure of chlorite dismutase from Candidatus Nitrospira defluvii in complex with imidazole | Descriptor: | 1,2-ETHANEDIOL, Chlorite dismutase, IMIDAZOLE, ... | Authors: | Kostan, J, Sjoeblom, B, Maixner, F, Mlynek, G, Furtmueller, P.G, Obinger, C, Wagner, M, Daims, H, Djinovic-Carugo, K. | Deposit date: | 2010-06-23 | Release date: | 2010-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and functional characterisation of the chlorite dismutase from the nitrite-oxidizing bacterium "Candidatus Nitrospira defluvii": Identification of a catalytically important amino acid residue J.Struct.Biol., 172, 2010
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3NN3
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![BU of 3nn3 by Molmil](/molmil-images/mine/3nn3) | Structure of chlorite dismutase from Candidatus Nitrospira defluvii R173A mutant | Descriptor: | Chlorite dismutase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Kostan, J, Sjoeblom, B, Maixner, F, Mlynek, G, Furtmueller, P.G, Obinger, C, Wagner, M, Daims, H, Djinovic-Carugo, K. | Deposit date: | 2010-06-23 | Release date: | 2010-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and functional characterisation of the chlorite dismutase from the nitrite-oxidizing bacterium "Candidatus Nitrospira defluvii": Identification of a catalytically important amino acid residue J.Struct.Biol., 172, 2010
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2Y8L
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![BU of 2y8l by Molmil](/molmil-images/mine/2y8l) | Structure of the regulatory fragment of mammalian aMPK in complex with two ADP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Sanders, M.J, Underwood, E, Heath, R, Mayer, F, Carmena, D, Jing, C, Walker, P.A, Eccleston, J.F, Haire, L.F, Saiu, P, Howell, S.A, Aasland, R, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2011-02-07 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Mammalian Ampk and its Regulation by Adp Nature, 472, 2011
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2YA3
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![BU of 2ya3 by Molmil](/molmil-images/mine/2ya3) | STRUCTURE OF THE REGULATORY FRAGMENT OF MAMMALIAN AMPK IN COMPLEX WITH COUMARIN ADP | Descriptor: | 3'-(7-diethylaminocoumarin-3-carbonylamino)-3'-deoxy-ADP, 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, ... | Authors: | Xiao, B, Sanders, M.J, Underwood, E, Heath, R, Mayer, F, Carmena, D, Jing, C, Walker, P.A, Eccleston, J.F, Haire, L.F, Saiu, P, Howell, S.A, Aasland, R, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2011-02-17 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure of Mammalian Ampk and its Regulation by Adp Nature, 472, 2011
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2WF4
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![BU of 2wf4 by Molmil](/molmil-images/mine/2wf4) | Human BACE-1 in complex with 6-ethyl-1-methyl-N-((1S)-2-oxo-1-(phenylmethyl)-3-(tetrahydro-2H-pyran-4-ylamino)propyl)-1,3,4,6- tetrahydro(1,2)thiazepino(5,4,3-cd)indole-8-carboxamide 2,2-dioxide | Descriptor: | BETA-SECRETASE 1, N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE | Authors: | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2009-04-02 | Release date: | 2009-05-12 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Second Generation of Bace-1 Inhibitors Part 3: Towards Non Hydroxyethylamine Transition State Mimetics. Bioorg.Med.Chem.Lett., 19, 2009
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2WF0
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![BU of 2wf0 by Molmil](/molmil-images/mine/2wf0) | Human BACE-1 in complex with 4-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-8-(2-oxo-1-pyrrolidinyl)-6-quinolinecarboxamide | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-4-ETHYL-8-(2-OXOPYRROLIDIN-1-YL)QUINOLINE-6-CARBOXAMIDE | Authors: | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2009-04-02 | Release date: | 2009-05-19 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Second Generation of Bace-1 Inhibitors. Part 1: The Need for Improved Pharmacokinetics. Bioorg.Med.Chem.Lett., 19, 2009
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2BQZ
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![BU of 2bqz by Molmil](/molmil-images/mine/2bqz) | Crystal structure of a ternary complex of the human histone methyltransferase Pr-SET7 (also known as SET8) | Descriptor: | HISTONE H4, S-ADENOSYL-L-HOMOCYSTEINE, SET8 PROTEIN | Authors: | Xiao, B, Jing, C, Kelly, G, Walker, P.A, Muskett, F.W, Frenkiel, T.A, Martin, S.R, Sarma, K, Reinberg, D, Gamblin, S.J, Wilson, J.R. | Deposit date: | 2005-04-28 | Release date: | 2005-06-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Specificity and Mechanism of the Histone Methyltransferase Pr-Set7 Genes Dev., 19, 2005
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1Z60
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![BU of 1z60 by Molmil](/molmil-images/mine/1z60) | Solution structure of the carboxy-terminal domain of human TFIIH P44 subunit | Descriptor: | TFIIH basal transcription factor complex p44 subunit, ZINC ION | Authors: | Kellenberger, E, Dominguez, C, Fribourg, S, Wasielewski, E, Moras, D, Poterszman, A, Boelens, R, Kieffer, B. | Deposit date: | 2005-03-21 | Release date: | 2005-04-12 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the C-terminal domain of TFIIH P44 subunit reveals a novel type of C4C4 ring domain involved in protein-protein interactions. J.Biol.Chem., 280, 2005
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2XFI
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![BU of 2xfi by Molmil](/molmil-images/mine/2xfi) | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino)benzamide | Descriptor: | BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE | Authors: | Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | Deposit date: | 2010-05-24 | Release date: | 2010-07-07 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296 Bioorg.Med.Chem.Lett., 20, 2010
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1GME
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![BU of 1gme by Molmil](/molmil-images/mine/1gme) | Crystal structure and assembly of an eukaryotic small heat shock protein | Descriptor: | HEAT SHOCK PROTEIN 16.9B | Authors: | Van Montfort, R.L.M, Basha, E, Friedrich, K.L, Slingsby, C, Vierling, E. | Deposit date: | 2001-09-13 | Release date: | 2001-11-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure and Assembly of an Eukaryotic Small Heat Shock Protein Nat.Struct.Biol., 8, 2001
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1O9S
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![BU of 1o9s by Molmil](/molmil-images/mine/1o9s) | Crystal structure of a ternary complex of the human histone methyltransferase SET7/9 | Descriptor: | GENE FRAGMENT FOR HISTONE H3, HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-4 SPECIFIC, ... | Authors: | Xiao, B, Jing, C, Wilson, J.R, Walker, P.A, Vasisht, N, Kelly, G, Howell, S, Taylor, I.A, Blackburn, G.M, Gamblin, S.J. | Deposit date: | 2002-12-18 | Release date: | 2003-02-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Catalytic Mechanism of the Human Histone Methyltransferase Set7/9 Nature, 421, 2003
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1K5J
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![BU of 1k5j by Molmil](/molmil-images/mine/1k5j) | The Crystal Structure of Nucleoplasmin-Core | Descriptor: | Nucleoplasmin Core | Authors: | Dutta, S, Akey, I.V, Dingwall, C, Hartman, K.L, Laue, T, Nolte, R.T, Head, J.F, Akey, C.W. | Deposit date: | 2001-10-10 | Release date: | 2001-11-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of nucleoplasmin-core: implications for histone binding and nucleosome assembly. Mol.Cell, 8, 2001
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2V3L
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![BU of 2v3l by Molmil](/molmil-images/mine/2v3l) | Orientational and dynamical heterogeneity of Rhodamine 6G terminally attached to a DNA helix | Descriptor: | 5'-D(*CP*AP*AP*AP*GP*CP*GP*CP*CP*AP *TP*TP*CP*GP*CP*CP*AP*TP*TP*C)-3', 5'-D(*GP*AP*AP*TP*GP*GP*CP*GP*AP*AP *TP*GP*GP*CP*GP*CP*TP*TP*TP*G)-3', RHODAMINE 6G | Authors: | Neubauer, H, Gaiko, N, Berger, S, Schaffer, J, Eggeling, C, Tuma, J, Verdier, L, Seidel, C.A.M, Griesinger, C, Volkmer, A. | Deposit date: | 2007-06-18 | Release date: | 2007-10-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Orientational and Dynamical Heterogeneity of Rhodamine 6G Terminally Attached to a DNA Helix Revealed by NMR and Single-Molecule Fluorescence Spectroscopy. J.Am.Chem.Soc., 129, 2007
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1SHW
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![BU of 1shw by Molmil](/molmil-images/mine/1shw) | EphB2 / EphrinA5 Complex Structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 2, Ephrin-A5, ... | Authors: | Himanen, J.P, Chumley, M.J, Lackmann, M, Li, C, Barton, W.A, Jeffrey, P.D, Vearing, C, Geleick, D, Feldheim, D.A, Boyd, A.W. | Deposit date: | 2004-02-26 | Release date: | 2004-05-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Repelling class discrimination: ephrin-A5 binds to and activates EphB2 receptor signaling Nat.Neurosci., 7, 2004
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3CSP
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![BU of 3csp by Molmil](/molmil-images/mine/3csp) | Crystal structure of the DM2 mutant of myelin oligodendrocyte glycoprotein | Descriptor: | Myelin-oligodendrocyte glycoprotein | Authors: | Breithaupt, C, Schafer, B, Pellkofer, H, Huber, R, Linington, C, Jacob, U. | Deposit date: | 2008-04-10 | Release date: | 2008-10-21 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Demyelinating myelin oligodendrocyte glycoprotein-specific autoantibody response is focused on one dominant conformational epitope region in rodents J.Immunol., 181, 2008
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3F9P
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![BU of 3f9p by Molmil](/molmil-images/mine/3f9p) | Crystal structure of myeloperoxidase from human leukocytes | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Carpena, X, Fita, I, Obinger, C. | Deposit date: | 2008-11-14 | Release date: | 2009-07-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Essential role of proximal histidine-asparagine interaction in Mammalian peroxidases. J.Biol.Chem., 284, 2009
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2BV2
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![BU of 2bv2 by Molmil](/molmil-images/mine/2bv2) | beta gamma crystallin from Ciona Intestinalis | Descriptor: | ACETATE ION, CALCIUM ION, CIONA BETAGAMMA-CRYSTALLIN, ... | Authors: | Shimeld, S.M, Purkiss, A.G, Dirks, R.P.H, Bateman, O.A, Slingsby, C, Lubsen, N.H. | Deposit date: | 2005-06-21 | Release date: | 2005-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Urochordate Betagamma-Crystallin and the Evolutionary Origin of the Vertebrate Eye Lens. Curr.Biol., 15, 2005
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2BOL
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![BU of 2bol by Molmil](/molmil-images/mine/2bol) | CRYSTAL STRUCTURE AND ASSEMBLY OF TSP36, A METAZOAN SMALL HEAT SHOCK PROTEIN | Descriptor: | SMALL HEAT SHOCK PROTEIN, SULFATE ION | Authors: | Stamler, R.J, Kappe, G, Boelens, W.C, Slingsby, C. | Deposit date: | 2005-04-12 | Release date: | 2005-09-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Wrapping the Alpha-Crystallin Domain Fold in a Chaperone Assembly. J.Mol.Biol., 353, 2005
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2A56
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![BU of 2a56 by Molmil](/molmil-images/mine/2a56) | fluorescent protein asFP595, A143S, on-state, 5min irradiation | Descriptor: | GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2 | Authors: | Andresen, M, Wahl, M.C, Stiel, A.C, Graeter, F, Schaefer, L, Trowitzsch, S, Weber, G, Eggeling, C, Grubmueller, H, Hell, S.W, Jakobs, S. | Deposit date: | 2005-06-30 | Release date: | 2005-08-16 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and mechanism of the reversible photoswitch of a fluorescent protein Proc.Natl.Acad.Sci.Usa, 102, 2005
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3R91
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![BU of 3r91 by Molmil](/molmil-images/mine/3r91) | Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. | Descriptor: | (6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, Heat shock protein HSP 90-alpha | Authors: | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Otteng, M, Ingalls, C, Golas, J.M, Liu, H, Lucas, J, Boschelli, F, Vogan, E, Hu, Y, Levin, J.I. | Deposit date: | 2011-03-24 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.579 Å) | Cite: | Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity. Bioorg.Med.Chem.Lett., 21, 2011
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3RIQ
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![BU of 3riq by Molmil](/molmil-images/mine/3riq) | Siphovirus 9NA tailspike receptor binding domain | Descriptor: | GLYCEROL, Tailspike protein | Authors: | Andres, D, Roske, Y, Doering, C, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2011-04-14 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Tail morphology controls DNA release in two Salmonella phages with one lipopolysaccharide receptor recognition system. Mol.Microbiol., 83, 2012
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1A7H
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![BU of 1a7h by Molmil](/molmil-images/mine/1a7h) | GAMMA S CRYSTALLIN C-TERMINAL DOMAIN | Descriptor: | GAMMAS CRYSTALLIN | Authors: | Basak, A.K, Slingsby, C. | Deposit date: | 1998-03-13 | Release date: | 1998-05-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The C-terminal domains of gammaS-crystallin pair about a distorted twofold axis. Protein Eng., 11, 1998
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1BD7
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![BU of 1bd7 by Molmil](/molmil-images/mine/1bd7) | CIRCULARLY PERMUTED BB2-CRYSTALLIN | Descriptor: | CIRCULARLY PERMUTED BB2-CRYSTALLIN | Authors: | Wright, G, Basak, A.K, Mayr, E.-M, Glockshuber, R, Slingsby, C. | Deposit date: | 1998-05-12 | Release date: | 1998-10-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Circular permutation of betaB2-crystallin changes the hierarchy of domain assembly. Protein Sci., 7, 1998
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