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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6CEO
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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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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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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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4HJQ
| SHP-1 catalytic domain WPD loop closed | Descriptor: | PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 6 | Authors: | Alicea-Velazquez, N.L, Boggon, T.J. | Deposit date: | 2012-10-13 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8013 Å) | Cite: | SHP Family Protein Tyrosine Phosphatases Adopt Canonical Active-Site Conformations in the Apo and Phosphate-Bound States. Protein Pept.Lett., 20, 2013
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4HJP
| SHP-1 catalytic domain WPD loop open | Descriptor: | Tyrosine-protein phosphatase non-receptor type 6 | Authors: | Alicea-Velazquez, N.L, Boggon, T.J. | Deposit date: | 2012-10-13 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3994 Å) | Cite: | SHP Family Protein Tyrosine Phosphatases Adopt Canonical Active-Site Conformations in the Apo and Phosphate-Bound States. Protein Pept.Lett., 20, 2013
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4GRY
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4GRZ
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4GS0
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7KKF
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5SXM
| WDR5 in complex with MLL Win motif peptidomimetic | Descriptor: | ACE-ALA-ARG-THR-GLU-VAL-TYR-NH2, WD repeat-containing protein 5 | Authors: | Alicea-Velazquez, N.L, Shinsky, S.A, Cosgrove, M.S. | Deposit date: | 2016-08-09 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeted Disruption of the Interaction between WD-40 Repeat Protein 5 (WDR5) and Mixed Lineage Leukemia (MLL)/SET1 Family Proteins Specifically Inhibits MLL1 and SETd1A Methyltransferase Complexes. J.Biol.Chem., 291, 2016
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