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3S2K
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STRUCTURAL BASIS OF WNT SIGNALING INHIBITION BY DICKKOPF BINDING TO LRP5/6.
Descriptor:Low-density lipoprotein receptor-related protein 6, Dickkopf-related protein 1, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Ahn, V.E., Chu, M.L.-H., Choi, H.-J., Tran, D., Abo, A., Weis, W.I.
Deposit date:2011-05-16
Release date:2011-11-02
Last modified:2011-12-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of Wnt Signaling Inhibition by Dickkopf Binding to LRP5/6.
Dev.Cell, 21, 2011
4O04
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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:Heat shock protein HSP 90-alpha, 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide
Authors:Zuccola, H.J., Ernst, J.
Deposit date:2013-12-13
Release date:2014-12-24
Last modified:2017-11-22
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
4O05
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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:Heat shock protein HSP 90-alpha, 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
Authors:Zuccola, H.J., Ernst, J.T.
Deposit date:2013-12-13
Release date:2014-04-09
Last modified:2017-11-22
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
4O07
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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:Heat shock protein HSP 90-alpha, 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
Authors:Zuccola, H.J., Ernst, J.T.
Deposit date:2013-12-13
Release date:2014-04-09
Last modified:2017-11-22
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
4O09
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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:Heat shock protein HSP 90-alpha, 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
Authors:Zuccola, H.J., Ernst, J.T.
Deposit date:2013-12-13
Release date:2014-04-09
Last modified:2017-11-22
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
4O0B
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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:Heat shock protein HSP 90-alpha, 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one
Authors:Zuccola, H.J., Ernst, J.T.
Deposit date:2013-12-13
Release date:2014-04-09
Last modified:2017-11-22
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
5VD6
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CRYSTAL STRUCTURE OF A GNAT SUPERFAMILY ACETYLTRANSFERASE PA4794 IN COMPLEX WITH BISUBSTRATE ANALOG 6
Descriptor:acetyltransferase PA4794, SULFATE ION, (3R,5S,9R,23S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name)
Authors:Majorek, K.A., Joachimiak, A., Minor, W., Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-04-01
Release date:2017-07-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Generating enzyme and radical-mediated bisubstrates as tools for investigating Gcn5-related N-acetyltransferases.
FEBS Lett., 591, 2017
5VDB
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CRYSTAL STRUCTURE OF A GNAT SUPERFAMILY ACETYLTRANSFERASE PA4794 IN COMPLEX WITH BISUBSTRATE ANALOG 3
Descriptor:acetyltransferase PA4794, SULFATE ION, (3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name)
Authors:Majorek, K.A., Joachimiak, A., Minor, W., Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-04-01
Release date:2017-07-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Generating enzyme and radical-mediated bisubstrates as tools for investigating Gcn5-related N-acetyltransferases.
FEBS Lett., 591, 2017
6DAU
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CRYSTAL STRUCTURE OF E33Q AND E41Q MUTANT FORMS OF THE SPERMIDINE/SPERMINE N-ACETYLTRANSFERASE SPEG FROM VIBRIO CHOLERAE
Descriptor:Spermidine N1-acetyltransferase, GLYCEROL
Authors:Filippova, E.V., Minasov, G., Beahan, A., Kulyavtsev, P., Tan, L., Tran, D., Kuhn, M.L., Anderson, W.F., Satchell, K.J.F., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-05-02
Release date:2018-07-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae.
To be Published