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5RJK
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BU of 5rjk by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024661
Descriptor: 5-bromo-2-hydroxybenzonitrile, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RK0
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BU of 5rk0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z30932204
Descriptor: N-[(4-sulfamoylphenyl)methyl]acetamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKG
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BU of 5rkg by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1124201124
Descriptor: PH-interacting protein, ethyl 1~{H}-pyrazole-4-carboxylate
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.282 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKW
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BU of 5rkw by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z27678561
Descriptor: N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.242 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RJU
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BU of 5rju by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z57261895
Descriptor: 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKA
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BU of 5rka by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z126932614
Descriptor: 2-[(methylsulfonyl)methyl]-1H-benzimidazole, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKO
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BU of 5rko by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z30620520
Descriptor: PH-interacting protein, cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RKY
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BU of 5rky by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1796014543
Descriptor: 1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
Deposit date:2020-06-02
Release date:2020-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RW1
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BU of 5rw1 by Molmil
PanDDA analysis group deposition of ground-state model of DHTKD1
Descriptor: MAGNESIUM ION, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial, ...
Authors:Bezerra, G.A, Foster, W.R, Bailey, H.J, Shrestha, L, Krojer, T, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2020-10-27
Release date:2020-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5RYU
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BU of 5ryu by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1545196403
Descriptor: 1,2-ETHANEDIOL, 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
5RZ3
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BU of 5rz3 by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1259341037
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
5RZI
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BU of 5rzi by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z48852953
Descriptor: 1,2-ETHANEDIOL, 4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
5RZY
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BU of 5rzy by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z219104216
Descriptor: 1,2-ETHANEDIOL, 6-(ethylamino)pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
5RYQ
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BU of 5ryq by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z57258487
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
5RZ2
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BU of 5rz2 by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z68277692
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
5RZK
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BU of 5rzk by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1266823232
Descriptor: (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
5RVW
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BU of 5rvw by Molmil
PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with Z1587220559
Descriptor: 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol, MAGNESIUM ION, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, ...
Authors:Bezerra, G.A, Foster, W.R, Bailey, H.J, Shrestha, L, Krojer, T, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2020-10-27
Release date:2020-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.614 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R4Y
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BU of 5r4y by Molmil
XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13612a
Descriptor: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ...
Authors:Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Zhang, R, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2020-02-28
Release date:2020-05-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:XChem fragment screen
To Be Published
5R5D
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BU of 5r5d by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13564a
Descriptor: 3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid, DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22
Authors:Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
Deposit date:2020-02-28
Release date:2020-07-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PanDDA analysis group deposition
To Be Published
5R5Y
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BU of 5r5y by Molmil
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z509756472
Descriptor: N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide, Tenascin C (Hexabrachion), isoform CRA_a
Authors:Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D.
Deposit date:2020-02-28
Release date:2020-10-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:PanDDA analysis group deposition
To Be Published
5RYV
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BU of 5ryv by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1373430305
Descriptor: 1,2-ETHANEDIOL, 3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
5RYZ
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BU of 5ryz by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434868
Descriptor: 1,2-ETHANEDIOL, 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
5RZD
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BU of 5rzd by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z198194394
Descriptor: 1,2-ETHANEDIOL, 4-(4-fluorophenyl)piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
5RZS
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BU of 5rzs by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1703168683
Descriptor: 1,2-ETHANEDIOL, 1-(3-fluoro-4-methylphenyl)methanesulfonamide, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2020-10-30
Release date:2020-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:EPB41L3 PanDDA analysis group deposition
To Be Published
5R4X
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BU of 5r4x by Molmil
XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13413a
Descriptor: 1,2-ETHANEDIOL, 4-acetyl-N-ethylpiperazine-1-carboxamide, ATPase family AAA domain-containing protein 2, ...
Authors:Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Zhang, R, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2020-02-28
Release date:2020-05-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:XChem fragment screen
To Be Published

224931

数据于2024-09-11公开中

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