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3F81
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BU of 3f81 by Molmil
Interaction of VHR with SA3
分子名称: 2-[(5~{E})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, Dual specificity protein phosphatase 3
著者Wu, S, Mutelin, T, Tautz, L.
登録日2008-11-11
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Multidentate small-molecule inhibitors of vaccinia H1-related (VHR) phosphatase decrease proliferation of cervix cancer cells.
J.Med.Chem., 52, 2009
8TK2
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BU of 8tk2 by Molmil
HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with 2-((2,4-difluorobenzyl)amino)-2-oxoacetic acid
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Dual specificity protein phosphatase 3, ...
著者Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L.
登録日2023-07-25
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) binding 2-((2,4-difluorobenzyl)amino)-2-oxoacetic acid
To Be Published
8TK3
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BU of 8tk3 by Molmil
HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites
分子名称: 6-(difluoromethyl)pyrimidin-4-ol, DIMETHYL SULFOXIDE, Dual specificity protein phosphatase 3
著者Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L.
登録日2023-07-25
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) having oxidized catalytic cysteine and complexed with 6-(difluoromethyl)pyrimidin-4-ol at two allosteric sites
To Be Published
8TK6
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BU of 8tk6 by Molmil
HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) in apo form
分子名称: Dual specificity protein phosphatase 3
著者Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L.
登録日2023-07-25
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Fragment Screening Platform and Discovery of Novel Fragment Binders of the VHR Phosphatase, a Drug Target for Sepsis and Septic Shock
To Be Published
8TK5
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BU of 8tk5 by Molmil
HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with HEPES
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L.
登録日2023-07-25
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fragment Screening Platform and Discovery of Novel Fragment Binders of the VHR Phosphatase, a Drug Target for Sepsis and Septic Shock
To Be Published
8TK4
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BU of 8tk4 by Molmil
HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with phosphate
分子名称: Dual specificity protein phosphatase 3, PHOSPHATE ION
著者Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L.
登録日2023-07-25
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with phosphate
To Be Published
2F46
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BU of 2f46 by Molmil
Crystal structure of a putative phosphatase (nma1982) from neisseria meningitidis z2491 at 1.41 A resolution
分子名称: CHLORIDE ION, UNKNOWN LIGAND, hypothetical protein
著者Joint Center for Structural Genomics (JCSG)
登録日2005-11-22
公開日2006-02-07
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Crystal structure of NMA1982 from Neisseria meningitidis at 1.5 A resolution provides a structural scaffold for nonclassical, eukaryotic-like phosphatases.
Proteins, 69, 2007
6YID
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BU of 6yid by Molmil
Crystal structure of ULK2 in complex with SBI-0206965
分子名称: 2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid, Serine/threonine-protein kinase ULK2
著者Chaikuad, A, Ren, H, Bakas, N.A, Lambert, L.J, Cosford, N.D.P, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-04-01
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design, Synthesis, and Characterization of an Orally Active Dual-Specific ULK1/2 Autophagy Inhibitor that Synergizes with the PARP Inhibitor Olaparib for the Treatment of Triple-Negative Breast Cancer.
J.Med.Chem., 63, 2020
1ZC0
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BU of 1zc0 by Molmil
Crystal structure of human hematopoietic tyrosine phosphatase (HePTP) catalytic domain
分子名称: PHOSPHATE ION, Tyrosine-protein phosphatase, non-receptor type 7
著者Page, R, Mustelin, T.
登録日2005-04-09
公開日2005-12-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of the hematopoietic tyrosine phosphatase (HePTP) catalytic domain: structure of a KIM phosphatase with phosphate bound at the active site.
J.Mol.Biol., 354, 2005
3O4S
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BU of 3o4s by Molmil
Crystal Structure of HePTP with a Closed WPD Loop and an Ordered E-Loop
分子名称: GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 7
著者Critton, D.A, Page, R.
登録日2010-07-27
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Visualizing active-site dynamics in single crystals of HePTP: opening of the WPD loop involves coordinated movement of the E loop.
J.Mol.Biol., 405, 2011
3O4T
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BU of 3o4t by Molmil
Crystal Structure of HePTP with an Open WPD Loop and Partially Depleted Active Site
分子名称: D(-)-TARTARIC ACID, GLYCEROL, SULFATE ION, ...
著者Critton, D.A, Page, R.
登録日2010-07-27
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Visualizing active-site dynamics in single crystals of HePTP: opening of the WPD loop involves coordinated movement of the E loop.
J.Mol.Biol., 405, 2011
3O4U
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BU of 3o4u by Molmil
Crystal Structure of HePTP with an Atypically Open WPD Loop
分子名称: GLYCEROL, L(+)-TARTARIC ACID, S,R MESO-TARTARIC ACID, ...
著者Critton, D.A, Page, R.
登録日2010-07-27
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Visualizing active-site dynamics in single crystals of HePTP: opening of the WPD loop involves coordinated movement of the E loop.
J.Mol.Biol., 405, 2011

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件を2024-09-11に公開中

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