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5QSD
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BU of 5qsd by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z54571979
Descriptor: N-{4-[(pyrimidin-2-yl)oxy]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
5QSU
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BU of 5qsu by Molmil
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434926
Descriptor: 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione, 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 (2.73 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QP1
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BU of 5qp1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1190363272
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOP
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BU of 5qop by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with NUOOA000023a
Descriptor: (azepan-1-yl)(4-methoxyphenyl)methanone, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOW
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BU of 5qow by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z2895259675
Descriptor: 1,2-ETHANEDIOL, 5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide, ACETATE ION, ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-03-21
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QPC
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BU of 5qpc by Molmil
Crystal Structure of DCP2 (NUDT20) after initial refinement with no ligand modelled (structure $n)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
Authors:Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5QR2
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BU of 5qr2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854
Descriptor: 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, 5-aminolevulinate synthase, erythroid-specific, ...
Authors:Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
Deposit date:2019-05-22
Release date:2019-08-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QRK
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BU of 5qrk by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z275179758
Descriptor: CADMIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide, 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 (1.63 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QSC
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BU of 5qsc by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z300245038
Descriptor: N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide, 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 (1.62 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QSV
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BU of 5qsv by Molmil
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434783
Descriptor: Cohesin subunit SA-1, N-benzyl-1-(4-fluorophenyl)methanamine
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 (2.76 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QR0
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BU of 5qr0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z730649594
Descriptor: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
Authors:Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
Deposit date:2019-05-22
Release date:2019-08-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QRG
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BU of 5qrg by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z275151340
Descriptor: 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-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 (1.95 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q6L
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BU of 5q6l by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 158)
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 (1.82 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QSE
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BU of 5qse by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2017168803
Descriptor: (2S)-2-[(3-fluoropyridin-2-yl)(methyl)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 (2.01 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q73
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BU of 5q73 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 176)
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 (1.36 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q7R
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BU of 5q7r by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 200)
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 (1.62 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q7J
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BU of 5q7j by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 192)
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 (1.54 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q87
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BU of 5q87 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 216)
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 (1.34 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q8N
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BU of 5q8n by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 233)
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 (1.41 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q82
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BU of 5q82 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 211)
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 (1.2 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q92
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BU of 5q92 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 248)
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 (2.11 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q8G
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BU of 5q8g by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 225)
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 (2 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q9H
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BU of 5q9h by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 263)
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 (1.81 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q9Z
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BU of 5q9z by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 281)
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 (1.77 Å)
Cite:PanDDA analysis group deposition
To Be Published
5Q8O
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BU of 5q8o by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 234)
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 (1.67 Å)
Cite:PanDDA analysis group deposition
To Be Published

225946

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