6OLX
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![BU of 6olx by Molmil](/molmil-images/mine/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
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![BU of 1lat by Molmil](/molmil-images/mine/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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1U0Z
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![BU of 1u0z by Molmil](/molmil-images/mine/1u0z) | |
1TBW
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![BU of 1tbw by Molmil](/molmil-images/mine/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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1TC0
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![BU of 1tc0 by Molmil](/molmil-images/mine/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
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![BU of 1tc6 by Molmil](/molmil-images/mine/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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6D1X
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![BU of 6d1x by Molmil](/molmil-images/mine/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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5WMT
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2GFD
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![BU of 2gfd by Molmil](/molmil-images/mine/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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2FWZ
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![BU of 2fwz by Molmil](/molmil-images/mine/2fwz) | |
3O0I
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![BU of 3o0i by Molmil](/molmil-images/mine/3o0i) | |
3O2F
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![BU of 3o2f by Molmil](/molmil-images/mine/3o2f) | |
5ULS
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![BU of 5uls by Molmil](/molmil-images/mine/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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5VYY
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6N8W
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6N8Y
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![BU of 6n8y by Molmil](/molmil-images/mine/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
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![BU of 6n8x by Molmil](/molmil-images/mine/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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3C11
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![BU of 3c11 by Molmil](/molmil-images/mine/3c11) | |
3C0E
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![BU of 3c0e by Molmil](/molmil-images/mine/3c0e) | |
2O1U
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![BU of 2o1u by Molmil](/molmil-images/mine/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
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![BU of 2o1v by Molmil](/molmil-images/mine/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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1QY8
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![BU of 1qy8 by Molmil](/molmil-images/mine/1qy8) | 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
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1QYE
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![BU of 1qye by Molmil](/molmil-images/mine/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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