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PDB: 14 件
6BAW
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BU of 6baw by Molmil
Structure of GRP94 with a selective resorcinylic inhibitor.
分子名称: 1,2-ETHANEDIOL, Endoplasmin, PHOSPHATE ION, ...
著者Que, N.L.S, Gewirth, D.T.
登録日2017-10-16
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
6CEO
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BU of 6ceo by Molmil
Structure of Hsp90 NTD with a GRP94-selective resorcinylic inhibitor.
分子名称: 1,2-ETHANEDIOL, Heat shock protein HSP 90-alpha, MAGNESIUM ION, ...
著者Que, N.L.S, Gewirth, D.T.
登録日2018-02-12
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
6C91
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BU of 6c91 by Molmil
Structure of GRP94 with a resorcinylic inhibitor.
分子名称: 1,2-ETHANEDIOL, 5-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dichlorobenzene-1,3-diol, Endoplasmin, ...
著者Que, N.L.S, Gewirth, D.T.
登録日2018-01-25
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.895 Å)
主引用文献Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
J. Med. Chem., 61, 2018
6N8W
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BU of 6n8w by Molmil
Structure of Unliganded Hsp90-Beta N-Terminal Domain
分子名称: GLYCEROL, Heat shock protein HSP 90-beta
著者Huck, J.D, Que, N.L.S, Gewirth, D.T.
登録日2018-11-30
公開日2019-07-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.09228134 Å)
主引用文献Structures of Hsp90 alpha and Hsp90 beta bound to a purine-scaffold inhibitor reveal an exploitable residue for drug selectivity.
Proteins, 87, 2019
6N8Y
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BU of 6n8y by Molmil
Hsp90-beta bound to PU-11-trans
分子名称: 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine, Heat shock protein HSP 90-beta
著者Huck, J.D, Que, N.L.S, Gewirth, D.T.
登録日2018-11-30
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.553908 Å)
主引用文献Structures of Hsp90 alpha and Hsp90 beta bound to a purine-scaffold inhibitor reveal an exploitable residue for drug selectivity.
Proteins, 87, 2019
6N8X
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BU of 6n8x by Molmil
Hsp90-alpha bound to PU-11-trans
分子名称: 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine, Heat shock protein HSP 90-alpha
著者Huck, J.D, Que, N.L.S, Gewirth, D.T.
登録日2018-11-30
公開日2019-07-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.49484479 Å)
主引用文献Structures of Hsp90 alpha and Hsp90 beta bound to a purine-scaffold inhibitor reveal an exploitable residue for drug selectivity.
Proteins, 87, 2019
5ULS
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BU of 5uls by Molmil
Structure of GRP94 in the active conformation
分子名称: Endoplasmin, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Huck, J.D, Que, N.L.S, Gewirth, D.T.
登録日2017-01-25
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.622 Å)
主引用文献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
4GS0
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BU of 4gs0 by Molmil
Crystal structure of SHP1 catalytic domain with JAK1 activation loop peptide
分子名称: Tyrosine-protein kinase JAK1, Tyrosine-protein phosphatase non-receptor type 6
著者Alicea-Velazquez, N.L, Jakoncic, J, Boggon, T.J.
登録日2012-08-27
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7961 Å)
主引用文献Structure-guided studies of the SHP-1/JAK1 interaction provide new insights into phosphatase catalytic domain substrate recognition.
J.Struct.Biol., 181, 2013
4HJQ
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BU of 4hjq by Molmil
SHP-1 catalytic domain WPD loop closed
分子名称: PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 6
著者Alicea-Velazquez, N.L, Boggon, T.J.
登録日2012-10-13
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8013 Å)
主引用文献SHP Family Protein Tyrosine Phosphatases Adopt Canonical Active-Site Conformations in the Apo and Phosphate-Bound States.
Protein Pept.Lett., 20, 2013
4HJP
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BU of 4hjp by Molmil
SHP-1 catalytic domain WPD loop open
分子名称: Tyrosine-protein phosphatase non-receptor type 6
著者Alicea-Velazquez, N.L, Boggon, T.J.
登録日2012-10-13
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3994 Å)
主引用文献SHP Family Protein Tyrosine Phosphatases Adopt Canonical Active-Site Conformations in the Apo and Phosphate-Bound States.
Protein Pept.Lett., 20, 2013
4GRZ
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BU of 4grz by Molmil
Crystal structure of SHP1 catalytic domain with PO4
分子名称: PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 6
著者Alicea-Velazquez, N.L, Jakoncic, J, Boggon, T.J.
登録日2012-08-27
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3732 Å)
主引用文献Structure-guided studies of the SHP-1/JAK1 interaction provide new insights into phosphatase catalytic domain substrate recognition.
J.Struct.Biol., 181, 2013
4GRY
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BU of 4gry by Molmil
Crystal structure of SHP1 catalytic domain with SO4
分子名称: SULFATE ION, Tyrosine-protein phosphatase non-receptor type 6
著者Alicea-Velazquez, N.L, Jakoncic, J, Boggon, T.J.
登録日2012-08-27
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6998 Å)
主引用文献Structure-guided studies of the SHP-1/JAK1 interaction provide new insights into phosphatase catalytic domain substrate recognition.
J.Struct.Biol., 181, 2013
7KKF
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BU of 7kkf by Molmil
Crystal Structure of S. cerevisiae Ess1
分子名称: Peptidyl-prolyl cis-trans isomerase ESS1
著者Namitz, K.E.W, Alicea-Velazquez, N.L, Cosgrove, M.S, Hanes, S.D.
登録日2020-10-27
公開日2021-03-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure analysis suggests Ess1 isomerizes the carboxy-terminal domain of RNA polymerase II via a bivalent anchoring mechanism.
Commun Biol, 4, 2021
5SXM
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BU of 5sxm by Molmil
WDR5 in complex with MLL Win motif peptidomimetic
分子名称: ACE-ALA-ARG-THR-GLU-VAL-TYR-NH2, WD repeat-containing protein 5
著者Alicea-Velazquez, N.L, Shinsky, S.A, Cosgrove, M.S.
登録日2016-08-09
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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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件を2024-07-31に公開中

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