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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
3C0E
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BU of 3c0e by Molmil
Yeast Hsp82 N-terminal domain: effects of mutants 98-99 KS-AA
分子名称: ATP-dependent molecular chaperone HSP82
著者Immormino, R.M, Gewirth, D.T.
登録日2008-01-19
公開日2008-07-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of GRP94 with the Specific Mutation KS168-169AA with Bound Geldanamycin
To be Published
3C11
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BU of 3c11 by Molmil
Yeast Hsp82 N-terminal domain-Geldanamycin complex: effects of mutants 98-99 KS-AA
分子名称: ATP-dependent molecular chaperone HSP82, GELDANAMYCIN, GLYCEROL
著者Immormino, R.M, Gewirth, D.T.
登録日2008-01-21
公開日2008-07-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of GRP94 with the Specific Mutation KS168-169AA with Bound Geldanamycin
To be Published
3MYY
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BU of 3myy by Molmil
Structure of E. Coli CheY mutant A113P bound to Beryllium fluoride
分子名称: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein cheY, GLYCEROL, ...
著者Immormino, R.M, McDonald, L.R, Bourret, R.B.
登録日2010-05-11
公開日2011-05-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Activation of CheY by Mutation at an allosteric site
To be Published
1ZWH
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BU of 1zwh by Molmil
Yeast Hsp82 in complex with the novel Hsp90 inhibitor Radester amine
分子名称: 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE, ATP-dependent molecular chaperone HSP82
著者Immormino, R.M, Blagg, B.S, Gewirth, D.T.
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 (1.65 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
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
3OO1
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BU of 3oo1 by Molmil
Structure of E. Coli CheY mutant A113P in the absence of Sulfate
分子名称: Chemotaxis protein CheY, MAGNESIUM ION
著者Immormino, R.M, Bourret, R.B.
登録日2010-08-30
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Exploring the effect of an allosteric site on conformational coupling in CheY
To be Published
2GFD
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BU of 2gfd by Molmil
GRP94 in complex with the novel HSP90 Inhibitor Radamide
分子名称: Endoplasmin, METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE, PENTAETHYLENE GLYCOL, ...
著者Immormino, R.M, Gewirth, D.T.
登録日2006-03-21
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Different poses for ligand and chaperone in inhibitor-bound Hsp90 and GRP94: implications for paralog-specific drug design.
J.Mol.Biol., 388, 2009
3OLW
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BU of 3olw by Molmil
Structural and functional effects of substitution at position T+1 in CheY: CheYA88T-BeF3-Mn complex
分子名称: BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, Chemotaxis protein CheY, ...
著者Immormino, R.M, Bourret, R.B.
登録日2010-08-26
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献A Variable Active Site Residue Influences the Kinetics of Response Regulator Phosphorylation and Dephosphorylation.
Biochemistry, 55, 2016
3OLX
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BU of 3olx by Molmil
Structural and functional effects of substitution at position T+1 in CheY: CheYA88S-BeF3-Mn complex
分子名称: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, GLYCEROL, ...
著者Immormino, R.M, Bourret, R.B.
登録日2010-08-26
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Variable Active Site Residue Influences the Kinetics of Response Regulator Phosphorylation and Dephosphorylation.
Biochemistry, 55, 2016
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
2FXS
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BU of 2fxs by Molmil
Yeast HSP82 in complex with the novel HSP90 Inhibitor Radamide
分子名称: ATP-dependent molecular chaperone HSP82, GLYCEROL, METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE
著者Immormino, R.M, Gewirth, D.T.
登録日2006-02-06
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Different poses for ligand and chaperone in inhibitor-bound Hsp90 and GRP94: implications for paralog-specific drug design.
J.Mol.Biol., 388, 2009
2FYP
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BU of 2fyp by Molmil
GRP94 in complex with the novel HSP90 Inhibitor Radester amine
分子名称: 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE, Endoplasmin, PENTAETHYLENE GLYCOL, ...
著者Immormino, R.M, Gewirth, D.T.
登録日2006-02-08
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Inhibittory Ligands Adopt Different Conformations When Bound to Hsp90 or GRP94: Implications for Paralog-specific Drug Design
To be Published
3RVK
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BU of 3rvk by Molmil
Structure of the CheY-Mn2+ Complex with substitutions at 59 and 89: N59D E89Q
分子名称: Chemotaxis protein CheY, MANGANESE (II) ION
著者Immormino, R.M, Starbird, C.A, Silversmith, R.E, Bourret, R.B.
登録日2011-05-06
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
3RVO
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BU of 3rvo by Molmil
Structure of CheY-Mn2+ Complex with substitutions at 59 and 89: N59D E89Y
分子名称: Chemotaxis protein CheY, MANGANESE (II) ION
著者Immormino, R.M, Starbird, C.A, Silversmith, R.E, Bourret, R.B.
登録日2011-05-06
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
2HG1
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BU of 2hg1 by Molmil
N-Domain Of Grp94 In Complex With the Novel Ligand N-(2-hydroxyl)ethyl Carboxyamido Adenosine
分子名称: 5'-N-(2-HYDROXYL)ETHYL CARBOXYAMIDO ADENOSINE, Endoplasmin, MAGNESIUM ION, ...
著者Immormino, R.M, Gewirth, D.T.
登録日2006-06-26
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献N-Domain Of Grp94 In Complex With the Novel Ligand N-(2-hydroxyl)ethyl Carboxyamido Adenosine
To be Published
3RVS
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BU of 3rvs by Molmil
Structure of the CheYN59D/E89R Tungstate complex
分子名称: Chemotaxis protein CheY, GLYCEROL, MANGANESE (II) ION, ...
著者Immormino, R.M, Starbird, C.A, Silversmith, R.E, Bourret, R.B.
登録日2011-05-06
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
3RVR
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BU of 3rvr by Molmil
Structure of the CheYN59D/E89R Molybdate complex
分子名称: Chemotaxis protein CheY, GLYCEROL, MANGANESE (II) ION, ...
著者Immormino, R.M, Starbird, C.A, Silversmith, R.E, Bourret, R.B.
登録日2011-05-06
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
2ESA
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BU of 2esa by Molmil
GRP94 n-terminal domain bound to geldanamycin: effects of mutants 168-169 KS-AA
分子名称: Endoplasmin, GELDANAMYCIN, TETRAETHYLENE GLYCOL, ...
著者Immormino, R.M, Metzger IV, L.E, Gewirth, D.T.
登録日2005-10-25
公開日2006-10-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of GRP94 with the specific mutation KS168-169AA; with bound Geldanamycin
To be Published
3RVQ
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BU of 3rvq by Molmil
Structure of the CheY-Mn2+ Complex with substitutions at 59 and 89: N59D E89K
分子名称: Chemotaxis protein CheY, MANGANESE (II) ION
著者Immormino, R.M, Starbird, C.A, Silversmith, R.E, Bourret, R.B.
登録日2011-05-06
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
2HCH
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BU of 2hch by Molmil
N-Domain Of Grp94 In Complex With the Novel Ligand N-(2-amino)ethyl Carboxyamido Adenosine
分子名称: 5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE, Endoplasmin, PENTAETHYLENE GLYCOL, ...
著者Immormino, R.M, Gewirth, D.T.
登録日2006-06-16
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献N-Domain Of Grp94 In Complex With the Novel Ligand N-aminoethyl Carboxyamido Adenosine
To be Published
3OLV
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BU of 3olv by Molmil
Structural and functional effects of substitution at position T+1 in CheY: CheYA88V-BeF3-Mg complex
分子名称: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, MAGNESIUM ION, ...
著者Immormino, R.M, Bourret, R.B.
登録日2010-08-26
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献A Variable Active Site Residue Influences the Kinetics of Response Regulator Phosphorylation and Dephosphorylation.
Biochemistry, 55, 2016
3OLY
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BU of 3oly by Molmil
Structural and functional effects of substitution at position T+1 in CheY: CheYA88M-BeF3-Mn complex
分子名称: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, GLYCEROL, ...
著者Immormino, R.M, Bourret, R.B.
登録日2010-08-26
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A Variable Active Site Residue Influences the Kinetics of Response Regulator Phosphorylation and Dephosphorylation.
Biochemistry, 55, 2016
2GQP
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BU of 2gqp by Molmil
N-Domain Of Grp94 In Complex With the Novel Ligand N-Propyl Carboxyamido Adenosine
分子名称: Endoplasmin, MAGNESIUM ION, N-PROPYL CARBOXYAMIDO ADENOSINE, ...
著者Immormino, R.M, Gewirth, D.T.
登録日2006-04-21
公開日2007-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Adensine Scaffold inhibitors of GRP94
To be Published
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

 

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