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1RKX
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CRYSTAL STRUCTURE AT 1.8 ANGSTROM OF CDP-D-GLUCOSE 4,6-DEHYDRATASE FROM YERSINIA PSEUDOTUBERCULOSIS
Descriptor:CDP-glucose-4,6-dehydratase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Vogan, E.M., Bellamacina, C., He, X., Liu, H.W., Ringe, D., Petsko, G.A.
Deposit date:2003-11-23
Release date:2004-03-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure at 1.8 A Resolution of CDP-d-Glucose 4,6-Dehydratase from Yersinia pseudotuberculosis
Biochemistry, 43, 2004
4XI2
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CRYSTAL STRUCTURE OF AN AUTO-INHIBITED FORM OF BRUTON'S TRYROSINE KINASE
Descriptor:Tyrosine-protein kinase BTK, GOLD ION
Authors:Vogan, E.M., Harrison, S.C.
Deposit date:2015-01-06
Release date:2015-02-25
Last modified:2015-03-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate.
Elife, 4, 2015
2BF1
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STRUCTURE OF AN UNLIGANDED AND FULLY-GLYCOSYLATED SIV GP120 ENVELOPE GLYCOPROTEIN
Descriptor:EXTERIOR MEMBRANE GLYCOPROTEIN GP120, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Chen, B., Vogan, E.M., Gong, H., Skehel, J.J., Wiley, D.C., Harrison, S.C.
Deposit date:2004-12-02
Release date:2005-02-17
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of an Unliganded Simian Immunodeficiency Virus Gp120 Core
Nature, 433, 2005
3BM9
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DISCOVERY OF BENZISOXAZOLES AS POTENT INHIBITORS OF CHAPERONE HSP90
Descriptor:Heat shock protein HSP 90-alpha, 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
Authors:Gopalsamy, A., Shi, M., Vogan, E.M., Golas, J., Jacob, J., Johnson, J., Lee, F., Nilakantan, R., Peterson, R., Svenson, K., Tam, M.S., Wen, Y., Chopra, R., Ellingboe, J., Arndt, K., Boschelli, F.
Deposit date:2007-12-12
Release date:2008-07-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
3BMY
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DISCOVERY OF BENZISOXAZOLES AS POTENT INHIBITORS OF CHAPERONE HSP90
Descriptor:Heat shock protein HSP 90-alpha, 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol
Authors:Gopalsamy, A., Shi, M., Vogan, E.M., Golas, J., Jacob, J., Johnson, J., Lee, F., Nilakantan, R., Peterson, R., Svenson, K., Tam, M.S., Wen, Y., Chopra, R., Ellingboe, J., Arndt, K., Boschelli, F.
Deposit date:2007-12-13
Release date:2008-07-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
3QTF
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DESIGN AND SAR OF MACROCYCLIC HSP90 INHIBITORS WITH INCREASED METABOLIC STABILITY AND POTENT CELL-PROLIFERATION ACTIVITY
Descriptor:Heat shock protein HSP 90-alpha, (6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, DIMETHYL SULFOXIDE
Authors:Zapf, C.W., Bloom, J.D., McBean, J.L., Dushin, R.G., Nittoli, T., Ingalls, C., Sutherland, A.G., Sonye, J.P., Eid, C.N., Golas, J., Liu, H., Boschelli, F., Hu, Y., Vogan, E.M., Levin, J.I.
Deposit date:2011-02-22
Release date:2011-04-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5703 Å)
Cite:Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity.
Bioorg.Med.Chem.Lett., 21, 2011
3R92
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DISCOVERY OF A MACROCYCLIC O-AMINOBENZAMIDE HSP90 INHIBITOR WITH HETEROCYCLIC TETHER THAT SHOWS EXTENDED BIOMARKER ACTIVITY AND IN VIVO EFFICACY IN A MOUSE XENOGRAFT MODEL.
Descriptor:Heat shock protein HSP 90-alpha, (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide
Authors:Zapf, C.W., Bloom, J.D., McBean, J.L., Dushin, R.G., Golas, J.M., Liu, H., Lucas, J., Boschelli, F., Vogan, E.M., Levin, J.I.
Deposit date:2011-03-24
Release date:2011-06-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5801 Å)
Cite:Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 21, 2011
4Y93
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CRYSTAL STRUCTURE OF THE PH-TH-KINASE CONSTRUCT OF BRUTON'S TYROSINE KINASE (BTK)
Descriptor:Non-specific protein-tyrosine kinase,Non-specific protein-tyrosine kinase, ZINC ION, 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide, ...
Authors:Wang, Q., Kuriyan, J.
Deposit date:2015-02-16
Release date:2015-03-18
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate.
Elife, 4, 2015
4Y94
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CRYSTAL STRUCTURE OF THE PH-TH MODULE OF BRUTON'S TYROSINE KINASE BOUND TO INOSITOL HEXAKISPHOSPHATE
Descriptor:Non-specific protein-tyrosine kinase, INOSITOL HEXAKISPHOSPHATE, ZINC ION
Authors:Wang, Q., Kuriyan, J.
Deposit date:2015-02-16
Release date:2015-03-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate.
Elife, 4, 2015
4Y95
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CRYSTAL STRUCTURE OF THE KINASE DOMAIN OF BRUTON'S TYROSINE KINASE WITH MUTATIONS IN THE ACTIVATION LOOP
Descriptor:Non-specific protein-tyrosine kinase, 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide, GLYCEROL, ...
Authors:Wang, Q., Rosen, C.E., Kuriyan, J.
Deposit date:2015-02-16
Release date:2015-03-18
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate.
Elife, 4, 2015
3FUS
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IMPROVED STRUCTURE OF THE UNLIGANDED SIMIAN IMMUNODEFICIENCY VIRUS GP120 CORE
Descriptor:EXTERIOR MEMBRANE GLYCOPROTEIN GP120, N-ACETYL-D-GLUCOSAMINE, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, ...
Authors:Chen, X., Poon, B., Wang, Q., Ma, J.
Deposit date:2009-01-14
Release date:2009-06-30
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural improvement of unliganded simian immunodeficiency virus gp120 core by normal-mode-based X-ray crystallographic refinement.
Acta Crystallogr.,Sect.D, 65, 2009
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