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1RKX
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BU of 1rkx by Molmil
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:2024-02-14
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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BU of 4xi2 by Molmil
Crystal Structure of an auto-inhibited form of Bruton's Tryrosine Kinase
Descriptor: GOLD ION, Tyrosine-protein kinase BTK
Authors:Vogan, E.M, Harrison, S.C.
Deposit date:2015-01-06
Release date:2015-02-25
Last modified:2024-02-28
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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BU of 2bf1 by Molmil
Structure of an unliganded and fully-glycosylated SIV gp120 envelope glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
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:2020-07-29
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of an Unliganded Simian Immunodeficiency Virus Gp120 Core
Nature, 433, 2005
3QTF
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BU of 3qtf by Molmil
Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity
Descriptor: (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, Heat shock protein HSP 90-alpha
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:2024-02-21
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
3BM9
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BU of 3bm9 by Molmil
Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90
Descriptor: 4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
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:2024-02-21
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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BU of 3bmy by Molmil
Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90
Descriptor: 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol, Heat shock protein HSP 90-alpha
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:2024-02-21
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
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: (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, Heat shock protein HSP 90-alpha
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:2024-02-21
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
3FUS
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BU of 3fus by Molmil
Improved Structure of the Unliganded Simian Immunodeficiency Virus gp120 Core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, X, Poon, B, Wang, Q, Ma, J.
Deposit date:2009-01-14
Release date:2009-06-30
Last modified:2020-07-29
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
4Y95
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BU of 4y95 by Molmil
Crystal structure of the kinase domain of Bruton's tyrosine kinase with mutations in the activation loop
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 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, BETA-MERCAPTOETHANOL, ...
Authors:Wang, Q, Rosen, C.E, Kuriyan, J.
Deposit date:2015-02-16
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate.
Elife, 4, 2015
4Y94
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BU of 4y94 by Molmil
Crystal structure of the PH-TH module of Bruton's tyrosine kinase bound to inositol hexakisphosphate
Descriptor: INOSITOL HEXAKISPHOSPHATE, Non-specific protein-tyrosine kinase, ZINC ION
Authors:Wang, Q, Kuriyan, J.
Deposit date:2015-02-16
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate.
Elife, 4, 2015
4Y93
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BU of 4y93 by Molmil
Crystal structure of the PH-TH-kinase construct of Bruton's tyrosine kinase (Btk)
Descriptor: 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, CALCIUM ION, Non-specific protein-tyrosine kinase,Non-specific protein-tyrosine kinase, ...
Authors:Wang, Q, Kuriyan, J.
Deposit date:2015-02-16
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Autoinhibition of Bruton's tyrosine kinase (Btk) and activation by soluble inositol hexakisphosphate.
Elife, 4, 2015

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