8DOT
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6ASQ
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![BU of 6asq by Molmil](/molmil-images/mine/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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6ASP
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![BU of 6asp by Molmil](/molmil-images/mine/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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6NIZ
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8DAJ
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![BU of 8daj by Molmil](/molmil-images/mine/8daj) | Structure and Biochemistry of a Promiscuous Thermophilic Polyhydroxybutyrate Depolymerase from Lihuaxuella thermophilia | Descriptor: | 1,2-ETHANEDIOL, Esterase, PHB depolymerase family, ... | Authors: | Thomas, G.M, Quirk, S, Huard, D.J.E, Lieberman, R.L. | Deposit date: | 2022-06-13 | Release date: | 2023-02-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Bioplastic degradation by a polyhydroxybutyrate depolymerase from a thermophilic soil bacterium. Protein Sci., 31, 2022
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5TTZ
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6AOM
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![BU of 6aom by Molmil](/molmil-images/mine/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
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![BU of 6aol by Molmil](/molmil-images/mine/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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5IN9
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![BU of 5in9 by Molmil](/molmil-images/mine/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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4DZ0
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4DYX
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4DYY
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![BU of 4dyy by Molmil](/molmil-images/mine/4dyy) | Crystal Structure of the Cu-adduct of Human H-Ferritin variant MIC1 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Tezcan, F.A, Huard, D.J.E. | Deposit date: | 2012-02-29 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Re-engineering protein interfaces yields copper-inducible ferritin cage assembly. Nat.Chem.Biol., 9, 2013
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4DYZ
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8FRR
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![BU of 8frr by Molmil](/molmil-images/mine/8frr) | Wild-type myocilin olfactomedin domain | Descriptor: | CALCIUM ION, GLYCEROL, Myocilin, ... | Authors: | Ma, M.T, Lieberman, R.L, Huard, D.J.E. | Deposit date: | 2023-01-08 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Competition between inside-out unfolding and pathogenic aggregation in an amyloid-forming beta-propeller. Nat Commun, 15, 2024
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