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7GSE
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BU of 7gse by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000383a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSH
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BU of 7gsh by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000530a
分子名称: 2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSG
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BU of 7gsg by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000316a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl 4-sulfamoylbenzoate
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSJ
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BU of 7gsj by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000543a
分子名称: (phenylmethyl) 4-oxidanylpiperidine-1-carboxylate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GU2
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BU of 7gu2 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster8
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-05
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
7GU3
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BU of 7gu3 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster9
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-05
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
7GSX
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BU of 7gsx by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA001440b
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methyl-1-benzofuran-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GT8
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BU of 7gt8 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA001439b
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloranylthiophene-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSB
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BU of 7gsb by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000438a
分子名称: 1-(4-benzylpiperidin-1-yl)-2-methylpropan-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Mehlman, T, Ginn, H.M, Keedy, D.A.
登録日2024-01-03
公開日2024-01-24
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
6VIF
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BU of 6vif by Molmil
Human LRH-1 ligand-binding domain bound to agonist cpd 15 and fragment of coregulator TIF-2
分子名称: N-[(8beta,11alpha,12alpha)-8-{[methyl(phenyl)amino]methyl}-1,6:7,14-dicycloprosta-1(6),2,4,7(14)-tetraen-11-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Cato, M.L, Ortlund, E.A.
登録日2020-01-13
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.
Bioorg.Med.Chem.Lett., 30, 2020
6BX8
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BU of 6bx8 by Molmil
Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C)
分子名称: SULFATE ION, Tissue factor pathway inhibitor, Trypsin-3
著者Coban, M, Sankaran, B, Cohen, I, Hockla, A, Papo, N, Radisky, E.S.
登録日2017-12-18
公開日2019-02-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J. Biol. Chem., 294, 2019

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件を2024-10-09に公開中

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