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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
2EXL
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BU of 2exl by Molmil
GRP94 N-terminal Domain bound to geldanamycin
Descriptor: Endoplasmin, GELDANAMYCIN, PENTAETHYLENE GLYCOL, ...
Authors:Reardon, P.N, Immormino, R.M, Gewirth, D.T.
Deposit date:2005-11-08
Release date:2006-10-24
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.35 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
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
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
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
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
Descriptor: 5'-N-(2-HYDROXYL)ETHYL CARBOXYAMIDO ADENOSINE, Endoplasmin, MAGNESIUM ION, ...
Authors:Immormino, R.M, Gewirth, D.T.
Deposit date:2006-06-26
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:N-Domain Of Grp94 In Complex With the Novel Ligand N-(2-hydroxyl)ethyl Carboxyamido Adenosine
To be Published
1R4O
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BU of 1r4o by Molmil
Crystallographic analysis of the interaction of the glucocorticoid receptor with DNA
Descriptor: 5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*TP*CP*GP*AP*TP*GP*TP*TP*CP*TP*G)-3', Glucocorticoid receptor, ZINC ION
Authors:Luisi, B.F, Xu, W.X, Otwinowski, Z, Freedman, L.P, Yamamoto, K.R, Sigler, P.B.
Deposit date:2003-10-07
Release date:2003-10-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic Analysis of the Interaction of The Glucocorticoid Receptor with DNA
Nature, 352, 1991
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