6OLX
 
 | | Hsp90-alpha S52A bound to PU-11-trans | | Descriptor: | 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine, Heat shock protein HSP 90-alpha | | Authors: | Gewirth, D.T, Huck, J.D. | | Deposit date: | 2019-04-17 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.43760586 Å) | | Cite: | Structures of Hsp90 alpha and Hsp90 beta bound to a purine-scaffold inhibitor reveal an exploitable residue for drug selectivity.
Proteins, 87, 2019
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1LAT
 | | GLUCOCORTICOID RECEPTOR MUTANT/DNA COMPLEX | | Descriptor: | DNA (5'-D(*TP*TP*CP*CP*AP*GP*AP*AP*CP*AP*TP*GP*TP*TP*CP*TP*G P*GP*A)-3'), GLUCOCORTICOID RECEPTOR, ZINC ION | | Authors: | Gewirth, D.T, Sigler, P.B. | | Deposit date: | 1995-12-18 | | Release date: | 1996-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The basis for half-site specificity explored through a non-cognate steroid receptor-DNA complex.
Nat.Struct.Biol., 2, 1995
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6D1X
 | | N-Domain Of Grp94, with the Charged Domain, In Complex With the Novel Ligand N-Propyl Carboxyamido Adenosine | | Descriptor: | Endoplasmin, N-PROPYL CARBOXYAMIDO ADENOSINE, TETRAETHYLENE GLYCOL | | Authors: | Gewirth, D.T, Immormino, R.M. | | Deposit date: | 2018-04-12 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 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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1TBW
 | | Ligand Induced Conformational Shift in the N-terminal Domain of GRP94, Open Conformation | | Descriptor: | ADENOSINE MONOPHOSPHATE, Endoplasmin, MAGNESIUM ION, ... | | Authors: | Gewirth, D.T, Immormino, R.M, Dollins, D.E, Shaffer, P.L, Walker, M.A, Soldano, K.L. | | Deposit date: | 2004-05-20 | | Release date: | 2004-08-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone.
J.Biol.Chem., 279, 2004
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1U0Z
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1TC0
 | | Ligand Induced Conformational Shifts in the N-terminal Domain of GRP94, Open Conformation Complexed with the physiological partner ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Endoplasmin, MAGNESIUM ION, ... | | Authors: | Gewirth, D.T, Immormino, R.M, Dollins, D.E, Shaffer, P.L, Walker, M.A, Soldano, K.L. | | Deposit date: | 2004-05-20 | | Release date: | 2004-08-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone.
J.Biol.Chem., 279, 2004
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1TC6
 | | Ligand Induced Conformational Shift in the N-terminal Domain of GRP94, Open Conformation ADP-Complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Endoplasmin, MAGNESIUM ION, ... | | Authors: | Gewirth, D.T, Immormino, R.M, Dollins, D.E, Shaffer, P.L, Walker, M.A, Soldano, K.L. | | Deposit date: | 2004-05-20 | | Release date: | 2004-08-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone.
J.Biol.Chem., 279, 2004
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8SBT
 | | Structure of human Hsp90-alpha bound to purine inhibitor PU-H36 | | Descriptor: | 9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | Authors: | Que, N.S, Gewirth, D.T. | | Deposit date: | 2023-04-04 | | Release date: | 2024-10-09 | | Last modified: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Selective Inhibition of hsp90 Paralogs: Uncovering the Role of Helix 1 in Grp94-Selective Ligand Binding.
Proteins, 93, 2025
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8TF0
 | | Crystal structure of Grp94 N-terminal domain bound to the purine inhibitor PU-H36 | | Descriptor: | 9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine, Endoplasmin, GLYCEROL, ... | | Authors: | Que, N.L.S, Gewirth, D.T. | | Deposit date: | 2023-07-07 | | Release date: | 2024-11-06 | | Last modified: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Selective Inhibition of hsp90 Paralogs: Uncovering the Role of Helix 1 in Grp94-Selective Ligand Binding.
Proteins, 93, 2025
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8SSV
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6N8W
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6N8Y
 | | Hsp90-beta bound to PU-11-trans | | Descriptor: | 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine, Heat shock protein HSP 90-beta | | Authors: | Huck, J.D, Que, N.L.S, Gewirth, D.T. | | Deposit date: | 2018-11-30 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.553908 Å) | | Cite: | Structures of Hsp90 alpha and Hsp90 beta bound to a purine-scaffold inhibitor reveal an exploitable residue for drug selectivity.
Proteins, 87, 2019
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6N8X
 | | Hsp90-alpha bound to PU-11-trans | | Descriptor: | 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine, Heat shock protein HSP 90-alpha | | Authors: | Huck, J.D, Que, N.L.S, Gewirth, D.T. | | Deposit date: | 2018-11-30 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.49484479 Å) | | Cite: | Structures of Hsp90 alpha and Hsp90 beta bound to a purine-scaffold inhibitor reveal an exploitable residue for drug selectivity.
Proteins, 87, 2019
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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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2GFD
 | | 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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3O0I
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3O2F
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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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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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3C0E
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3C11
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5ULS
 | | Structure of GRP94 in the active conformation | | Descriptor: | Endoplasmin, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Huck, J.D, Que, N.L.S, Gewirth, D.T. | | Deposit date: | 2017-01-25 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.622 Å) | | Cite: | Structural and Functional Analysis of GRP94 in the Closed State Reveals an Essential Role for the Pre-N Domain and a Potential Client-Binding Site.
Cell Rep, 20, 2017
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2O1V
 | | Structure of full length GRP94 with ADP bound | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Endoplasmin, MAGNESIUM ION | | Authors: | Dollins, D.E, Warren, J.J, Immormino, R.M, Gewirth, D.T. | | Deposit date: | 2006-11-29 | | Release date: | 2007-10-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structures of GRP94-Nucleotide Complexes Reveal Mechanistic Differences between the hsp90 Chaperones.
Mol.Cell, 28, 2007
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