5QS2
 
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z291279160 | | Descriptor: | 1-[2-(trifluoromethyloxy)phenyl]thiourea, CADMIUM ION, T-box transcription factor T | | Authors: | 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. | | Deposit date: | 2019-05-25 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QRY
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z2856434890 | | Descriptor: | 4-methyl-N-phenylpiperazine-1-carboxamide, CADMIUM ION, T-box transcription factor T | | Authors: | 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. | | Deposit date: | 2019-05-25 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QRO
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1506050651 | | Descriptor: | (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide, CADMIUM ION, T-box transcription factor T | | Authors: | 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. | | Deposit date: | 2019-05-25 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QSG
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434903 | | Descriptor: | N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide, T-box transcription factor T | | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-25 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QSO
 | | PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z466628048 | | Descriptor: | Cohesin subunit SA-1, N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide | | Authors: | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-25 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QS8
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z1432018343 | | Descriptor: | (2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol, T-box transcription factor T | | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-25 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QST
 | | PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2447286438 | | Descriptor: | (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide, Cohesin subunit SA-1 | | Authors: | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-25 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QRP
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z2442270563 | | Descriptor: | 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine, CADMIUM ION, T-box transcription factor T | | Authors: | 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. | | Deposit date: | 2019-05-25 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QS4
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z30820160 | | Descriptor: | CADMIUM ION, N-(4-methyl-1,3-thiazol-2-yl)propanamide, T-box transcription factor T | | Authors: | 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. | | Deposit date: | 2019-05-25 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QSM
 | | PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z57261895 | | Descriptor: | 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide, Cohesin subunit SA-1 | | Authors: | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-25 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QRQ
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z645232558 | | Descriptor: | CADMIUM ION, T-box transcription factor T, [1-(pyrimidin-2-yl)piperidin-4-yl]methanol | | Authors: | 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. | | Deposit date: | 2019-05-25 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QSJ
 | | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z198194394 | | Descriptor: | 4-(4-fluorophenyl)piperazine-1-carboxamide, T-box transcription factor T | | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-05-25 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5QSX
 | | PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434812 | | Descriptor: | 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol, Cohesin subunit SA-1 | | Authors: | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-07-16 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5RWU
 | | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z57778470 | | Descriptor: | 1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, 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: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
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5RX7
 | | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1545196403 | | Descriptor: | 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, 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: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
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5RYF
 | | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1266823232 | | Descriptor: | (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, 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: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
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5RZ1
 | | EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z27682767 | | 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 (1.62 Å) | | Cite: | EPB41L3 PanDDA analysis group deposition
To Be Published
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5RWH
 | | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1152242726 | | Descriptor: | DIMETHYL SULFOXIDE, N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, 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: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
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5RWR
 | | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434783 | | Descriptor: | DIMETHYL SULFOXIDE, N-benzyl-1-(4-fluorophenyl)methanamine, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, 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: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
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5RX2
 | | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1827898537 | | Descriptor: | (3R)-N-benzylpyrrolidin-3-amine, (3S)-N-benzylpyrrolidin-3-amine, DIMETHYL SULFOXIDE, ... | | Authors: | Bradshaw, W.J, 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: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
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5Q1V
 | | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000166a | | Descriptor: | 1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, DNA cross-link repair 1A protein, MALONATE ION, ... | | Authors: | 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. | | Deposit date: | 2017-05-15 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5Q2D
 | | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 5) | | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | | Authors: | 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. | | Deposit date: | 2017-05-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5Q44
 | | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 69) | | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | | Authors: | 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. | | Deposit date: | 2017-05-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5Q4K
 | | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 85) | | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | | Authors: | 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. | | Deposit date: | 2017-05-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5Q5V
 | | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 132) | | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | | Authors: | 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. | | Deposit date: | 2017-05-25 | | Release date: | 2018-08-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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