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1ZW9
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BU of 1zw9 by Molmil
Yeast HSP82 in complex with the Novel HSP90 Inhibitor 8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine
分子名称: 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE, HSP82
著者Immormino, R.M, Gewirth, D.T, Chiosis, G.
登録日2005-06-03
公開日2006-06-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibitory Ligands Adopt Different Conformations When Bound to Hsp90 or GRP94: Implications for Paralog-specific Drug Design
To be Published
6OLX
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BU of 6olx by Molmil
Hsp90-alpha S52A bound to PU-11-trans
分子名称: 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine, Heat shock protein HSP 90-alpha
著者Gewirth, D.T, Huck, J.D.
登録日2019-04-17
公開日2019-07-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.43760586 Å)
主引用文献Structures of Hsp90 alpha and Hsp90 beta bound to a purine-scaffold inhibitor reveal an exploitable residue for drug selectivity.
Proteins, 87, 2019
3O0I
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BU of 3o0i by Molmil
Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor PU-H54
分子名称: 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine, HSP90AA1 protein
著者Seidler, P.M, Gewirth, D.T.
登録日2010-07-19
公開日2011-10-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Paralog-selective Hsp90 inhibitors define tumor-specific regulation of HER2.
Nat.Chem.Biol., 9, 2013
3O2F
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BU of 3o2f by Molmil
Structure of the N-domain of GRP94 bound to the HSP90 inhibitor PU-H54
分子名称: 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine, Endoplasmin, GLYCEROL, ...
著者Seidler, P.M, Gewirth, D.T.
登録日2010-07-22
公開日2011-10-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Paralog-selective Hsp90 inhibitors define tumor-specific regulation of HER2.
Nat.Chem.Biol., 9, 2013
6N8W
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BU of 6n8w by Molmil
Structure of Unliganded Hsp90-Beta N-Terminal Domain
分子名称: GLYCEROL, Heat shock protein HSP 90-beta
著者Huck, J.D, Que, N.L.S, Gewirth, D.T.
登録日2018-11-30
公開日2019-07-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.09228134 Å)
主引用文献Structures of Hsp90 alpha and Hsp90 beta bound to a purine-scaffold inhibitor reveal an exploitable residue for drug selectivity.
Proteins, 87, 2019
6N8Y
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BU of 6n8y by Molmil
Hsp90-beta bound to PU-11-trans
分子名称: 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine, Heat shock protein HSP 90-beta
著者Huck, J.D, Que, N.L.S, Gewirth, D.T.
登録日2018-11-30
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.553908 Å)
主引用文献Structures of Hsp90 alpha and Hsp90 beta bound to a purine-scaffold inhibitor reveal an exploitable residue for drug selectivity.
Proteins, 87, 2019
6N8X
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BU of 6n8x by Molmil
Hsp90-alpha bound to PU-11-trans
分子名称: 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine, Heat shock protein HSP 90-alpha
著者Huck, J.D, Que, N.L.S, Gewirth, D.T.
登録日2018-11-30
公開日2019-07-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.49484479 Å)
主引用文献Structures of Hsp90 alpha and Hsp90 beta bound to a purine-scaffold inhibitor reveal an exploitable residue for drug selectivity.
Proteins, 87, 2019
2FWZ
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BU of 2fwz by Molmil
Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H71
分子名称: 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE, Heat shock protein HSP 90-alpha
著者Immormino, R.M, Gewirth, D.T.
登録日2006-02-03
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and quantum chemical studies of 8-aryl-sulfanyl adenine class Hsp90 inhibitors.
J.Med.Chem., 49, 2006
2FWY
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BU of 2fwy by Molmil
Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H64
分子名称: 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE, Heat shock protein HSP 90-alpha
著者Immormino, R.M, Gewirth, D.T.
登録日2006-02-03
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and quantum chemical studies of 8-aryl-sulfanyl adenine class Hsp90 inhibitors.
J.Med.Chem., 49, 2006
2H55
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BU of 2h55 by Molmil
Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-DZ8
分子名称: 2-FLUORO-8-[(6-IODO-1,3-BENZODIOXOL-5-YL)METHYL]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE, Heat shock protein HSP 90-alpha 4
著者Immormino, R.M, Gewirth, D.T.
登録日2006-05-25
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and quantum chemical studies of 8-aryl-sulfanyl adenine class Hsp90 inhibitors.
J.Med.Chem., 49, 2006
6CYG
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BU of 6cyg by Molmil
Hsp90-alpha N-domain bound to NEOCA
分子名称: 5'-N-(2-HYDROXYL)ETHYL CARBOXYAMIDO ADENOSINE, Heat shock protein HSP 90-alpha, MAGNESIUM ION
著者Huck, J.D, Campomizzi, C, Gewirth, D.T.
登録日2018-04-05
公開日2019-04-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.503922 Å)
主引用文献NECA derivatives exploit the paralog-specific properties of the site 3 side pocket of Grp94, the endoplasmic reticulum Hsp90.
J.Biol.Chem., 294, 2019
6CYH
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BU of 6cyh by Molmil
Hsp90-alpha N-domain bound to NEACA
分子名称: 5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE, Heat shock protein HSP 90-alpha, MAGNESIUM ION
著者Huck, J.D, Campomizzi, C, Gewirth, D.T.
登録日2018-04-05
公開日2019-04-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献NECA derivatives exploit the paralog-specific properties of the site 3 side pocket of Grp94, the endoplasmic reticulum Hsp90.
J.Biol.Chem., 294, 2019
6D1X
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BU of 6d1x by Molmil
N-Domain Of Grp94, with the Charged Domain, In Complex With the Novel Ligand N-Propyl Carboxyamido Adenosine
分子名称: Endoplasmin, N-PROPYL CARBOXYAMIDO ADENOSINE, TETRAETHYLENE GLYCOL
著者Gewirth, D.T, Immormino, R.M.
登録日2018-04-12
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献NECA derivatives exploit the paralog-specific properties of the site 3 side pocket of Grp94, the endoplasmic reticulum Hsp90.
J.Biol.Chem., 294, 2019
6CYI
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BU of 6cyi by Molmil
Grp94 N-domain bound to NEOCA
分子名称: 5'-N-(2-HYDROXYL)ETHYL CARBOXYAMIDO ADENOSINE, Endoplasmin, TETRAETHYLENE GLYCOL, ...
著者Huck, J.D, Aw, W.J, Gewirth, D.T.
登録日2018-04-05
公開日2019-04-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7565825 Å)
主引用文献NECA derivatives exploit the paralog-specific properties of the site 3 side pocket of Grp94, the endoplasmic reticulum Hsp90.
J.Biol.Chem., 294, 2019

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件を2024-10-30に公開中

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