2O1W
 
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2O1T
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1KB4
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1KB6
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1KB2
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6B9A
 | | 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
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6BAW
 | | 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
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6B99
 | | 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
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6C91
 | | 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
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6D28
 | | 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
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6CYG
 | | 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
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6CYI
 | | 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
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6CYH
 | | 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
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2EXL
 | | 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
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2ESA
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2FWY
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2FXS
 | | 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
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2FYP
 | | 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
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1U2O
 | | 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
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2HG1
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2GQP
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2H55
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2H8M
 | | 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
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2HCH
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1QYE
 | | 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
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