1N7S
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![BU of 1n7s by Molmil](/molmil-images/mine/1n7s) | High Resolution Structure of a Truncated Neuronal SNARE Complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, SNAP-25A, ... | Authors: | Ernst, J.A, Brunger, A.T. | Deposit date: | 2002-11-16 | Release date: | 2002-12-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | High Resolution Structure, Stability, and Synaptotagmin Binding of a Truncated Neuronal SNARE Complex J.Biol.Chem., 278, 2003
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4NH8
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![BU of 4nh8 by Molmil](/molmil-images/mine/4nh8) | Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity | Descriptor: | 2-fluoro-6-[(3S)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Heat shock protein HSP 90-alpha | Authors: | Ernst, J.T, Zuccola, H.J. | Deposit date: | 2013-11-04 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Correlation between chemotype-dependent binding conformations of HSP90 alpha / beta and isoform selectivity-Implications for the structure-based design of HSP90 alpha / beta selective inhibitors for treating neurodegenerative diseases. Bioorg.Med.Chem.Lett., 24, 2014
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3HN8
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![BU of 3hn8 by Molmil](/molmil-images/mine/3hn8) | Crystal structure of synaptotagmin | Descriptor: | CALCIUM ION, Synaptotagmin-3, ZINC ION | Authors: | Strop, P, Vrljic, M, Ernst, J, Brunger, A.T. | Deposit date: | 2009-05-30 | Release date: | 2010-02-23 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Molecular mechanism of the synaptotagmin-SNARE interaction in Ca2+-triggered vesicle fusion. Nat.Struct.Mol.Biol., 17, 2010
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4O04
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![BU of 4o04 by Molmil](/molmil-images/mine/4o04) | Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease | Descriptor: | 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide, Heat shock protein HSP 90-alpha | Authors: | Zuccola, H.J, Ernst, J. | Deposit date: | 2013-12-13 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57, 2014
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4NH7
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![BU of 4nh7 by Molmil](/molmil-images/mine/4nh7) | Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity | Descriptor: | 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, GLYCEROL, Heat shock protein HSP 90-alpha | Authors: | Zuccola, H.J, Ernst, J. | Deposit date: | 2013-11-04 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Correlation between chemotype-dependent binding conformations of HSP90 alpha / beta and isoform selectivity-Implications for the structure-based design of HSP90 alpha / beta selective inhibitors for treating neurodegenerative diseases. Bioorg.Med.Chem.Lett., 24, 2014
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4O0B
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![BU of 4o0b by Molmil](/molmil-images/mine/4o0b) | Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease | Descriptor: | 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one, Heat shock protein HSP 90-alpha | Authors: | Zuccola, H.J, Ernst, J.T. | Deposit date: | 2013-12-13 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57, 2014
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4O05
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![BU of 4o05 by Molmil](/molmil-images/mine/4o05) | Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease | Descriptor: | 2,7,7-trimethyl-9-[1-oxo-8-(propan-2-ylamino)-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one, Heat shock protein HSP 90-alpha | Authors: | Zuccola, H.J, Ernst, J.T. | Deposit date: | 2013-12-13 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57, 2014
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4O09
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![BU of 4o09 by Molmil](/molmil-images/mine/4o09) | Identification of novel HSP90 / isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington s disease | Descriptor: | 8-(2-methylpropyl)-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one, Heat shock protein HSP 90-alpha | Authors: | Zuccola, H.J, Ernst, J.T. | Deposit date: | 2013-12-13 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57, 2014
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4O07
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![BU of 4o07 by Molmil](/molmil-images/mine/4o07) | Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease | Descriptor: | 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one, Heat shock protein HSP 90-alpha | Authors: | Zuccola, H.J, Ernst, J.T. | Deposit date: | 2013-12-13 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57, 2014
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1IHV
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![BU of 1ihv by Molmil](/molmil-images/mine/1ihv) | SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF HIV-1 INTEGRASE, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | HIV-1 INTEGRASE | Authors: | Clore, G.M, Lodi, P.J, Ernst, J.A, Gronenborn, A.M. | Deposit date: | 1995-05-12 | Release date: | 1996-10-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the DNA binding domain of HIV-1 integrase. Biochemistry, 34, 1995
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1IHW
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![BU of 1ihw by Molmil](/molmil-images/mine/1ihw) | SOLUTION STRUCTURE OF THE DNA BINDING DOMAIN OF HIV-1 INTEGRASE, NMR, 40 STRUCTURES | Descriptor: | HIV-1 INTEGRASE | Authors: | Clore, G.M, Lodi, P.J, Ernst, J.A, Gronenborn, A.M. | Deposit date: | 1995-05-12 | Release date: | 1996-07-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the DNA binding domain of HIV-1 integrase. Biochemistry, 34, 1995
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4NH9
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![BU of 4nh9 by Molmil](/molmil-images/mine/4nh9) | Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity | Descriptor: | 2-fluoro-6-[(3S)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Endoplasmin | Authors: | Zuccola, H.J, Ernst, J.T. | Deposit date: | 2013-11-04 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Correlation between chemotype-dependent binding conformations of HSP90 alpha / beta and isoform selectivity-Implications for the structure-based design of HSP90 alpha / beta selective inhibitors for treating neurodegenerative diseases. Bioorg.Med.Chem.Lett., 24, 2014
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1DQV
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![BU of 1dqv by Molmil](/molmil-images/mine/1dqv) | CRYSTAL STRUCTURE OF SYNAPTOTAGMIN III C2A/C2B | Descriptor: | MAGNESIUM ION, SULFATE ION, SYNAPTOTAGMIN III | Authors: | Sutton, R.B, Ernst, J.A, Brunger, A.T. | Deposit date: | 2000-01-05 | Release date: | 2000-01-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the cytosolic C2A-C2B domains of synaptotagmin III. Implications for Ca(+2)-independent snare complex interaction. J.Cell Biol., 147, 1999
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2YOP
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![BU of 2yop by Molmil](/molmil-images/mine/2yop) | Long wavelength S-SAD structure of FAM3B PANDER | Descriptor: | GLYCEROL, PROTEIN FAM3B | Authors: | Johansson, P, Bernstrom, J, Gorman, T, Oster, L, Backstrom, S, Schweikart, F, Xu, B, Xue, Y, Holmberg Schiavone, L. | Deposit date: | 2012-10-26 | Release date: | 2013-01-30 | Last modified: | 2013-02-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fam3B Pander and Fam3C Ilei Represent a Distinct Class of Signaling Molecules with a Non-Cytokine-Like Fold. Structure, 21, 2013
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2YOQ
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![BU of 2yoq by Molmil](/molmil-images/mine/2yoq) | Structure of FAM3B PANDER E30 construct | Descriptor: | GLYCEROL, PROTEIN FAM3B | Authors: | Johansson, P, Bernstrom, J, Gorman, T, Oster, L, Backstrom, S, Schweikart, F, Xu, B, Xue, Y, Holmberg Schiavone, L. | Deposit date: | 2012-10-26 | Release date: | 2013-01-30 | Last modified: | 2013-02-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fam3B Pander and Fam3C Ilei Represent a Distinct Class of Signaling Molecules with a Non-Cytokine-Like Fold. Structure, 21, 2013
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