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7GSM
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BU of 7gsm by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000437b
分子名称: (5P)-5-(furan-2-yl)thiophene-2-carboxylic acid, 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 (2.03 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
7GSL
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BU of 7gsl by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000274b
分子名称: 2-(methylsulfanyl)pyridine-3-carboxamide, 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
7GTH
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BU of 7gth by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000637a
分子名称: (6aR,8R,12R,12aS)-2-methyl-6a,10,11,12a-tetrahydro-6H,7H,9H-[1]benzopyrano[4,3-c]pyrazolo[1,2-a]pyrazol-9-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 (1.66 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
7GSD
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BU of 7gsd by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000605a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(5-amino-1,3,4-thiadiazol-2-yl)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 (1.8 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
7GSF
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BU of 7gsf by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000421a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide, 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 (1.78 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
7GSZ
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BU of 7gsz by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000686b
分子名称: 1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine, 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 (1.91 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
7GSO
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BU of 7gso by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000029a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, [2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol
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
7GT0
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BU of 7gt0 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000275a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-benzyl-N'-methyl-N-[(pyridin-3-yl)methyl]thiourea, 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 (1.76 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
7GTA
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BU of 7gta by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000065a
分子名称: (5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine, 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 (2.06 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
7GTL
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BU of 7gtl by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000554a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, benzyl (3aS,8aS)-1-oxooctahydropyrrolo[3,4-d]azepine-6(1H)-carboxylate
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 (1.83 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
7GSW
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BU of 7gsw by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000422b
分子名称: (3M)-3-(furan-2-yl)benzoic acid, 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 (1.79 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
7GT4
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BU of 7gt4 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000528a
分子名称: (4R)-4-hydroxy-2-(2-hydroxyethyl)-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione, 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 (1.75 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
7GU5
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BU of 7gu5 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster12
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 (1.52 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
7GU4
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BU of 7gu4 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster11
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 (1.59 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
7GTQ
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BU of 7gtq by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000311a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide
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 (2.09 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
7GU7
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BU of 7gu7 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster15
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 (1.7 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
7GTG
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BU of 7gtg by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000684a
分子名称: (5R,7S,8R,8aS)-2-(cyclopropylmethyl)-8-phenyloctahydropyrrolo[1,2-a]pyrazine-7-carboxamide, 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 (1.69 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
7GU9
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BU of 7gu9 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster17
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 (1.53 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
7GST
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BU of 7gst by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000056a
分子名称: 1-(methanesulfonyl)-1,2,3,4-tetrahydroquinoline, 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 (1.64 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
7GTN
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BU of 7gtn by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000625a
分子名称: 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-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 (1.66 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
7GTZ
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BU of 7gtz by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster5
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 (1.6 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
7GSC
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BU of 7gsc by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000729a
分子名称: (azepan-1-yl)(2,6-difluorophenyl)methanone, 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 (1.69 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
7GSN
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BU of 7gsn by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000519b
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(thiophen-2-yl)methyl]benzoic 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 (1.87 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
7GT2
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BU of 7gt2 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000752b
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, [(4-chlorophenyl)sulfanyl]acetic acid
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
7GU6
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BU of 7gu6 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster14
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 (1.56 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published

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件を2024-11-06に公開中

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