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PDB: 61 results
5VYY
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BU of 5vyy by Molmil
Structure of human Hsp90-alpha bound to resorcinylic inhibitor BnIm
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Heat shock protein HSP 90-alpha, ...
Authors:Que, N.S, Gewirth, D.T.
Deposit date:2017-05-26
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
5WMT
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BU of 5wmt by Molmil
Structure of GRP94 N-terminal Domain bound to resorcinylic inhibitor BnIm.
Descriptor: 1,2-ETHANEDIOL, Endoplasmin, MAGNESIUM ION, ...
Authors:Que, N.S, Gewirth, D.T.
Deposit date:2017-07-31
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.748 Å)
Cite:Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
1U2O
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BU of 1u2o by Molmil
Crystal Structure Of The N-Domain Of Grp94 Lacking The Charged Domain In Complex With Neca
Descriptor: Endoplasmin, N-ETHYL-5'-CARBOXAMIDO ADENOSINE, PENTAETHYLENE GLYCOL, ...
Authors:Soldano, K.L, Jivan, A, Nicchitta, C.V, Gewirth, D.T.
Deposit date:2004-07-19
Release date:2004-08-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the N-terminal domain of GRP94. Basis for ligand specificity and regulation
J.Biol.Chem., 278, 2003
6B9A
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BU of 6b9a by Molmil
Hsp90-alpha N-domain bound to NPCA
Descriptor: Heat shock protein HSP 90-alpha, N-PROPYL CARBOXYAMIDO ADENOSINE
Authors:Huck, J.D, Gewirth, D.T.
Deposit date:2017-10-10
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65381 Å)
Cite:Hsp90-alpha N-domain bound to NPCA
To Be Published
6BAW
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BU of 6baw by Molmil
Structure of GRP94 with a selective resorcinylic inhibitor.
Descriptor: 1,2-ETHANEDIOL, Endoplasmin, PHOSPHATE ION, ...
Authors:Que, N.L.S, Gewirth, D.T.
Deposit date:2017-10-16
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
6B99
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BU of 6b99 by Molmil
Hsp90-alpha N-domain bound to NECA
Descriptor: Heat shock protein HSP 90-alpha, N-ETHYL-5'-CARBOXAMIDO ADENOSINE
Authors:Huck, J.D, Gewirth, D.T.
Deposit date:2017-10-10
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.60237718 Å)
Cite:Hsp90-alpha N-domain bound to NECA
To Be Published
6C91
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BU of 6c91 by Molmil
Structure of GRP94 with a resorcinylic inhibitor.
Descriptor: 1,2-ETHANEDIOL, 5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol, Endoplasmin, ...
Authors:Que, N.L.S, Gewirth, D.T.
Deposit date:2018-01-25
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.895 Å)
Cite:Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
6D28
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BU of 6d28 by Molmil
Crystal Structure of the N-domain of the ER Hsp90 chaperone GRP94 in complex with the specific ligand NECA
Descriptor: 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, Endoplasmin, N-ETHYL-5'-CARBOXAMIDO ADENOSINE
Authors:Soldano, K.L, Jivan, A, Nicchitta, C.V, Gewirth, D.T.
Deposit date:2018-04-13
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of the N-terminal domain of GRP94. Basis for ligand specificity and regulation.
J. Biol. Chem., 278, 2003
6CYG
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BU of 6cyg by Molmil
Hsp90-alpha N-domain bound to NEOCA
Descriptor: 5'-N-(2-HYDROXYL)ETHYL CARBOXYAMIDO ADENOSINE, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Huck, J.D, Campomizzi, C, Gewirth, D.T.
Deposit date:2018-04-05
Release date:2019-04-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.503922 Å)
Cite: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
Descriptor: 5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE, Heat shock protein HSP 90-alpha, MAGNESIUM ION
Authors:Huck, J.D, Campomizzi, C, Gewirth, D.T.
Deposit date:2018-04-05
Release date:2019-04-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite: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
Descriptor: 5'-N-(2-HYDROXYL)ETHYL CARBOXYAMIDO ADENOSINE, Endoplasmin, TETRAETHYLENE GLYCOL, ...
Authors:Huck, J.D, Aw, W.J, Gewirth, D.T.
Deposit date:2018-04-05
Release date:2019-04-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7565825 Å)
Cite:NECA derivatives exploit the paralog-specific properties of the site 3 side pocket of Grp94, the endoplasmic reticulum Hsp90.
J.Biol.Chem., 294, 2019
6CEO
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BU of 6ceo by Molmil
Structure of Hsp90 NTD with a GRP94-selective resorcinylic inhibitor.
Descriptor: 1,2-ETHANEDIOL, Heat shock protein HSP 90-alpha, MAGNESIUM ION, ...
Authors:Que, N.L.S, Gewirth, D.T.
Deposit date:2018-02-12
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
1YSZ
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BU of 1ysz by Molmil
Crystal Structure of the Unliganded Form of GRP94, the ER Hsp90: Basis for Nucleotide-Induced Conformational Change, GRP94N(DELTA)41 APO CRYSTAL SOAKED WITH NECA
Descriptor: Endoplasmin, N-ETHYL-5'-CARBOXAMIDO ADENOSINE, TETRAETHYLENE GLYCOL
Authors:Dollins, D.E, Immormino, R.M, Gewirth, D.T.
Deposit date:2005-02-09
Release date:2005-06-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of Unliganded GRP94, the Endoplasmic Reticulum Hsp90: BASIS FOR NUCLEOTIDE-INDUCED CONFORMATIONAL CHANGE
J.Biol.Chem., 280, 2005
1QYE
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BU of 1qye by Molmil
Crystal Structure of the N-domain of the ER Hsp90 chaperone GRP94 in complex with 2-chlorodideoxyadenosine
Descriptor: 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 2-CHLORODIDEOXYADENOSINE, Endoplasmin
Authors:Soldano, K.L, Jivan, A, Nicchitta, C.V, Gewirth, D.T.
Deposit date:2003-09-10
Release date:2003-11-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the N-terminal Domain of GRP94. Basis for Ligand Specificity and Regulation
J.Biol.Chem., 278, 2003
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
1YT2
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BU of 1yt2 by Molmil
Crystal Structure of the Unliganded Form of GRP94, the ER Hsp90: Basis for Nucleotide-Induced Conformational Change, GRP94N APO CRYSTAL
Descriptor: Endoplasmin, TETRAETHYLENE GLYCOL
Authors:Dollins, D.E, Immormino, R.M, Gewirth, D.T.
Deposit date:2005-02-09
Release date:2005-06-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of Unliganded GRP94, the Endoplasmic Reticulum Hsp90: BASIS FOR NUCLEOTIDE-INDUCED CONFORMATIONAL CHANGE
J.Biol.Chem., 280, 2005
1YNW
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BU of 1ynw by Molmil
Crystal Structure of Vitamin D Receptor and 9-cis Retinoic Acid Receptor DNA-Binding Domains Bound to a DR3 Response Element
Descriptor: 5'-d(*TP*TP*AP*GP*GP*TP*CP*AP*CP*GP*AP*AP*GP*GP*TP*CP*AP*A)-3', 5'-d(*TP*TP*TP*GP*AP*CP*CP*TP*TP*CP*GP*TP*GP*AP*CP*CP*TP*A)-3', Retinoic acid receptor RXR-alpha, ...
Authors:Shaffer, P.L, Gewirth, D.T.
Deposit date:2005-01-25
Release date:2005-02-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural analysis of RXR-VDR interactions on DR3 DNA
J.Steroid Biochem.Mol.Biol., 89-90, 2004
1R4I
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BU of 1r4i by Molmil
Crystal Structure of Androgen Receptor DNA-Binding Domain Bound to a Direct Repeat Response Element
Descriptor: 5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*TP*CP*AP*AP*GP*AP*AP*CP*AP*G)-3', 5'-D(*CP*TP*GP*TP*TP*CP*TP*TP*GP*AP*TP*GP*TP*TP*CP*TP*GP*G)-3', Androgen receptor, ...
Authors:Shaffer, P.L, Jivan, A, Dollins, D.E, Claessens, F, Gewirth, D.T.
Deposit date:2003-10-06
Release date:2004-06-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis of androgen receptor binding to selective androgen response elements.
Proc.Natl.Acad.Sci.USA, 101, 2004
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
1YT0
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BU of 1yt0 by Molmil
Crystal Structure of the Unliganded Form of GRP94, the ER Hsp90: Basis for Nucleotide-Induced Conformational Change, GRP94N(DELTA)41 APO CRYSTAL SOAKED WITH ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Endoplasmin, MAGNESIUM ION, ...
Authors:Dollins, D.E, Immormino, R.M, Gewirth, D.T.
Deposit date:2005-02-09
Release date:2005-06-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Unliganded GRP94, the Endoplasmic Reticulum Hsp90: BASIS FOR NUCLEOTIDE-INDUCED CONFORMATIONAL CHANGE
J.Biol.Chem., 280, 2005
1YT1
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BU of 1yt1 by Molmil
Crystal Structure of the Unliganded Form of GRP94, the ER Hsp90: Basis for Nucleotide-Induced Conformational Change, GRP94N(DELTA)41 APO CRYSTAL
Descriptor: Endoplasmin, PENTAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL
Authors:Dollins, D.E, Immormino, R.M, Gewirth, D.T.
Deposit date:2005-02-09
Release date:2005-06-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Unliganded GRP94, the Endoplasmic Reticulum Hsp90: BASIS FOR NUCLEOTIDE-INDUCED CONFORMATIONAL CHANGE
J.Biol.Chem., 280, 2005
1QY8
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BU of 1qy8 by Molmil
Crystal Structure of the N-domain of the ER Hsp90 chaperone GRP94 in complex with Radicicol
Descriptor: Endoplasmin, RADICICOL
Authors:Soldano, K.L, Jivan, A, Nicchitta, C.V, Gewirth, D.T.
Deposit date:2003-09-09
Release date:2003-11-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the N-terminal domain of GRP94. Basis for ligand specificity and regulation
J.Biol.Chem., 278, 2003
2AQ9
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BU of 2aq9 by Molmil
Structure of E. coli LpxA with a bound peptide that is competitive with acyl-ACP
Descriptor: Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Williams, A.H, Immormino, R.M, Gewirth, D.T, Raetz, C.R.
Deposit date:2005-08-17
Release date:2006-06-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of UDP-N-acetylglucosamine acyltransferase with a bound antibacterial pentadecapeptide.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1RM1
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BU of 1rm1 by Molmil
Structure of a Yeast TFIIA/TBP/TATA-box DNA Complex
Descriptor: 5'-D(*AP*TP*CP*GP*AP*TP*CP*GP*AP*TP*AP*TP*AP*AP*AP*AP*CP*G)-3', 5'-D(P*CP*GP*TP*TP*TP*TP*AP*TP*AP*TP*CP*GP*AP*TP*CP*GP*AP*T)-3', TATA-box binding protein, ...
Authors:Jin, X, Gewirth, D.T, Geiger, J.H.
Deposit date:2003-11-26
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High Resolution Structure of a Yeast TFIIA/TBP/TATA-box DNA Complex
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

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