5IN9
| Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds. | Descriptor: | Endoplasmin, GLYCEROL, TRIETHYLENE GLYCOL, ... | Authors: | Lieberman, R.L, Huard, D.J.E, Kizziah, J.L. | Deposit date: | 2016-03-07 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Development of Glucose Regulated Protein 94-Selective Inhibitors Based on the BnIm and Radamide Scaffold. J.Med.Chem., 59, 2016
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3O2F
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5WMT
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4NH9
| Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity | Descriptor: | 2-fluoro-6-[(3S)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Endoplasmin | Authors: | Zuccola, H.J, Ernst, J.T. | Deposit date: | 2013-11-04 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Correlation between chemotype-dependent binding conformations of HSP90 alpha / beta and isoform selectivity-Implications for the structure-based design of HSP90 alpha / beta selective inhibitors for treating neurodegenerative diseases. Bioorg.Med.Chem.Lett., 24, 2014
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7ULL
| Human Grp94 N-terminal domain in complex with 42C | Descriptor: | DIMETHYL SULFOXIDE, Endoplasmin, GLYCEROL, ... | Authors: | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | Deposit date: | 2022-04-05 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks. Protein Sci., 32, 2023
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2HG1
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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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5TTZ
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2GQP
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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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2O1U
| Structure of full length GRP94 with AMP-PNP bound | Descriptor: | Endoplasmin, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 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: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of GRP94-Nucleotide Complexes Reveal Mechanistic Differences between the hsp90 Chaperones. Mol.Cell, 28, 2007
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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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2O1T
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2O1W
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6ASP
| Structure of Grp94 with methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, a Grp94-selective inhibitor and promising therapeutic lead for treating myocilin-associated glaucoma | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endoplasmin, GLYCEROL, ... | Authors: | Huard, D.J.E, Lieberman, R.L. | Deposit date: | 2017-08-25 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.696 Å) | Cite: | Trifunctional High-Throughput Screen Identifies Promising Scaffold To Inhibit Grp94 and Treat Myocilin-Associated Glaucoma. ACS Chem. Biol., 13, 2018
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6AOM
| Structure of molecular chaperone Grp94 bound to selective inhibitor methyl 2-[2-(2-benzylphenyl)ethyl]-3-chloro-4,6-dihydroxybenzoate | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, Endoplasmin, ... | Authors: | Lieberman, R.L, Huard, D.J.E. | Deposit date: | 2017-08-16 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Second Generation Grp94-Selective Inhibitors Provide Opportunities for the Inhibition of Metastatic Cancer. Chemistry, 23, 2017
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6AOL
| Structure of molecular chaperone Grp94 bound to selective inhibitor methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endoplasmin, methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate | Authors: | Lieberman, R.L, Huard, D.J.E. | Deposit date: | 2017-08-16 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.764 Å) | Cite: | Second Generation Grp94-Selective Inhibitors Provide Opportunities for the Inhibition of Metastatic Cancer. Chemistry, 23, 2017
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6ASQ
| Structure of Grp94 bound to methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate, a pan-Hsp90 inhibitor | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, Endoplasmin, ... | Authors: | Huard, D.J.E, Lieberman, R.L. | Deposit date: | 2017-08-25 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Trifunctional High-Throughput Screen Identifies Promising Scaffold To Inhibit Grp94 and Treat Myocilin-Associated Glaucoma. ACS Chem. Biol., 13, 2018
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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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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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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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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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