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5QE9
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BU of 5qe9 by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000232a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.692 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QSW
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BU of 5qsw by Molmil
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434884
分子名称: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, Cohesin subunit SA-1
著者Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QEM
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BU of 5qem by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_XST00000217b
分子名称: 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QF1
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BU of 5qf1 by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA000272b
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-hydroxyethyl)benzonitrile, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.844 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5Q6K
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BU of 5q6k by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 157)
分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-25
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QFK
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BU of 5qfk by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000509a
分子名称: (2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.594 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5Q75
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BU of 5q75 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 178)
分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-25
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QG2
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BU of 5qg2 by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000275a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,4,5-trimethoxybenzoic acid, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (2.122 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5Q7N
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BU of 5q7n by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 196)
分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-25
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q83
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BU of 5q83 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 212)
分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-25
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q8J
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BU of 5q8j by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 229)
分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-25
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q8V
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BU of 5q8v by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 241)
分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-25
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q9B
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BU of 5q9b by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 257)
分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-25
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q9T
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BU of 5q9t by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 275)
分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-25
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QDH
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BU of 5qdh by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000004a
分子名称: 1-(3-chlorophenyl)-N-methylmethanamine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.682 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QDM
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BU of 5qdm by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000074a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.647 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QE3
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BU of 5qe3 by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000449a
分子名称: 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.742 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QEK
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PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOZE000092b
分子名称: 1-methyl-1H-benzimidazol-2-amine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QF6
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BU of 5qf6 by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA000281b
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.765 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QFN
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BU of 5qfn by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000324a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (1.675 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QG1
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PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000619a
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
5QRI
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BU of 5qri by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z2856434826
分子名称: CADMIUM ION, T-box transcription factor T, [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
著者Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-07-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QS9
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BU of 5qs9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z48847594
分子名称: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QSQ
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PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z396380540
分子名称: Cohesin subunit SA-1, ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide
著者Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q6M
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BU of 5q6m by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 159)
分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-25
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献PanDDA analysis group deposition
To Be Published

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件を2024-09-25に公開中

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