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1ZWH
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BU of 1zwh by Molmil
Yeast Hsp82 in complex with the novel Hsp90 inhibitor Radester amine
Descriptor: 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE, ATP-dependent molecular chaperone HSP82
Authors:Immormino, R.M, Blagg, B.S, Gewirth, D.T.
Deposit date:2005-06-03
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibitory Ligands Adopt Different Conformations When Bound to Hsp90 or GRP94: Implications for Paralog-specific Drug Design
To be Published
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
Descriptor: 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE, HSP82
Authors:Immormino, R.M, Gewirth, D.T, Chiosis, G.
Deposit date:2005-06-03
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibitory 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
Descriptor: Chemotaxis protein CheY, MANGANESE (II) ION
Authors:Immormino, R.M, Starbird, C.A, Silversmith, R.E, Bourret, R.B.
Deposit date:2011-05-06
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.16 Å)
Cite: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
Descriptor: Chemotaxis protein CheY, MANGANESE (II) ION
Authors:Immormino, R.M, Starbird, C.A, Silversmith, R.E, Bourret, R.B.
Deposit date:2011-05-06
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
3RVS
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BU of 3rvs by Molmil
Structure of the CheYN59D/E89R Tungstate complex
Descriptor: Chemotaxis protein CheY, GLYCEROL, MANGANESE (II) ION, ...
Authors:Immormino, R.M, Starbird, C.A, Silversmith, R.E, Bourret, R.B.
Deposit date:2011-05-06
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Chemotaxis protein CheY, GLYCEROL, MANGANESE (II) ION, ...
Authors:Immormino, R.M, Starbird, C.A, Silversmith, R.E, Bourret, R.B.
Deposit date:2011-05-06
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
3RVQ
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BU of 3rvq by Molmil
Structure of the CheY-Mn2+ Complex with substitutions at 59 and 89: N59D E89K
Descriptor: Chemotaxis protein CheY, MANGANESE (II) ION
Authors:Immormino, R.M, Starbird, C.A, Silversmith, R.E, Bourret, R.B.
Deposit date:2011-05-06
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Probing Mechanistic Similarities between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases.
Biochemistry, 54, 2015
3MYY
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BU of 3myy by Molmil
Structure of E. Coli CheY mutant A113P bound to Beryllium fluoride
Descriptor: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein cheY, GLYCEROL, ...
Authors:Immormino, R.M, McDonald, L.R, Bourret, R.B.
Deposit date:2010-05-11
Release date:2011-05-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Activation of CheY by Mutation at an allosteric site
To be Published
3OO1
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BU of 3oo1 by Molmil
Structure of E. Coli CheY mutant A113P in the absence of Sulfate
Descriptor: Chemotaxis protein CheY, MAGNESIUM ION
Authors:Immormino, R.M, Bourret, R.B.
Deposit date:2010-08-30
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring the effect of an allosteric site on conformational coupling in CheY
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
Descriptor: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, MAGNESIUM ION, ...
Authors:Immormino, R.M, Bourret, R.B.
Deposit date:2010-08-26
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.697 Å)
Cite: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
Descriptor: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, GLYCEROL, ...
Authors:Immormino, R.M, Bourret, R.B.
Deposit date:2010-08-26
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A Variable Active Site Residue Influences the Kinetics of Response Regulator Phosphorylation and Dephosphorylation.
Biochemistry, 55, 2016
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
Descriptor: BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, Chemotaxis protein CheY, ...
Authors:Immormino, R.M, Bourret, R.B.
Deposit date:2010-08-26
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.304 Å)
Cite: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
Descriptor: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein CheY, GLYCEROL, ...
Authors:Immormino, R.M, Bourret, R.B.
Deposit date:2010-08-26
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Variable Active Site Residue Influences the Kinetics of Response Regulator Phosphorylation and Dephosphorylation.
Biochemistry, 55, 2016
3C0E
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BU of 3c0e by Molmil
Yeast Hsp82 N-terminal domain: effects of mutants 98-99 KS-AA
Descriptor: ATP-dependent molecular chaperone HSP82
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2008-01-19
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: ATP-dependent molecular chaperone HSP82, GELDANAMYCIN, GLYCEROL
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2008-01-21
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of GRP94 with the Specific Mutation KS168-169AA with Bound Geldanamycin
To be Published
2ESA
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BU of 2esa by Molmil
GRP94 n-terminal domain bound to geldanamycin: effects of mutants 168-169 KS-AA
Descriptor: Endoplasmin, GELDANAMYCIN, TETRAETHYLENE GLYCOL, ...
Authors:Immormino, R.M, Metzger IV, L.E, Gewirth, D.T.
Deposit date:2005-10-25
Release date:2006-10-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of GRP94 with the specific mutation KS168-169AA; with bound Geldanamycin
To be Published
2FWY
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BU of 2fwy by Molmil
Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H64
Descriptor: 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE, Heat shock protein HSP 90-alpha
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2006-02-03
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: ATP-dependent molecular chaperone HSP82, GLYCEROL, METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2006-02-06
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE, Endoplasmin, PENTAETHYLENE GLYCOL, ...
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2006-02-08
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Inhibittory Ligands Adopt Different Conformations When Bound to Hsp90 or GRP94: Implications for Paralog-specific Drug Design
To be Published
2GFD
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BU of 2gfd by Molmil
GRP94 in complex with the novel HSP90 Inhibitor Radamide
Descriptor: Endoplasmin, METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE, PENTAETHYLENE GLYCOL, ...
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2006-03-21
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Different poses for ligand and chaperone in inhibitor-bound Hsp90 and GRP94: implications for paralog-specific drug design.
J.Mol.Biol., 388, 2009
2FWZ
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BU of 2fwz by Molmil
Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H71
Descriptor: 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE, Heat shock protein HSP 90-alpha
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2006-02-03
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and quantum chemical studies of 8-aryl-sulfanyl adenine class Hsp90 inhibitors.
J.Med.Chem., 49, 2006
2GQP
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BU of 2gqp by Molmil
N-Domain Of Grp94 In Complex With the Novel Ligand N-Propyl Carboxyamido Adenosine
Descriptor: Endoplasmin, MAGNESIUM ION, N-PROPYL CARBOXYAMIDO ADENOSINE, ...
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2006-04-21
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 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
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2006-05-25
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and quantum chemical studies of 8-aryl-sulfanyl adenine class Hsp90 inhibitors.
J.Med.Chem., 49, 2006
2H8M
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BU of 2h8m by Molmil
N-Domain Of Grp94 In Complex With the 2-Iodo-NECA
Descriptor: (2S,3S,4R,5R)-5-(6-AMINO-2-IODO-9H-PURIN-9-YL)-N-ETHYL-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE, Endoplasmin, PENTAETHYLENE GLYCOL, ...
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2006-06-07
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:N-Domain Of Grp94 In Complex With the 2-Iodo-NECA
To be Published
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
Descriptor: 5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE, Endoplasmin, PENTAETHYLENE GLYCOL, ...
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2006-06-16
Release date:2007-05-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:N-Domain Of Grp94 In Complex With the Novel Ligand N-aminoethyl Carboxyamido Adenosine
To be Published

 

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