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5QI2
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BU of 5qi2 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000110a
Descriptor: 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J.
Deposit date:2018-05-21
Release date:2019-04-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QQZ
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BU of 5qqz by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1675346324
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 (1.55 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QRF
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BU of 5qrf by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z373768900
Descriptor: CADMIUM ION, N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, 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 (2.03 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QRL
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BU of 5qrl by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z437516460
Descriptor: CADMIUM ION, N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide, 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 (1.76 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QSB
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BU of 5qsb by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434874
Descriptor: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-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 (1.82 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QSS
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BU of 5qss by Molmil
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z33452282
Descriptor: Cohesin subunit SA-1, N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
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 (3.08 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QON
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BU of 5qon by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000446a
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 (1.8 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOZ
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BU of 5qoz by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with PB1787571279
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:2019-03-21
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QQX
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BU of 5qqx by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z373768900
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 (1.5 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QRD
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BU of 5qrd by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1328968520
Descriptor: 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole, 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 (1.76 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QS2
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BU of 5qs2 by Molmil
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
5QIA
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BU of 5qia by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000242a
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ...
Authors:Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J.
Deposit date:2018-05-21
Release date:2019-04-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QIQ
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BU of 5qiq by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0103050
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(4-bromothiophen-2-yl)methyl]acetamide, ...
Authors:Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F.
Deposit date:2018-08-10
Release date:2019-12-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Covalent fragment group deposition
To Be Published
5QOO
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BU of 5qoo by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000144a
Descriptor: 1,2-ETHANEDIOL, 2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide, 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 (1.56 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOU
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BU of 5qou by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z296300542
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 (2.19 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QPA
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BU of 5qpa by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000449a
Descriptor: 1,2-ETHANEDIOL, 1-ethyl-N-[(4-fluorophenyl)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:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QR4
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BU of 5qr4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434826
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 (1.57 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QRT
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BU of 5qrt by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z31735562
Descriptor: CADMIUM ION, T-box transcription factor T, ~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide
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 (1.77 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QRY
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BU of 5qry by Molmil
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
5QS5
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BU of 5qs5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z32400357
Descriptor: 1-(3-methylbenzene-1-carbonyl)piperidine-4-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 (1.81 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOQ
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BU of 5qoq by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z2895259680
Descriptor: 1,2-ETHANEDIOL, 3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-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:2019-02-22
Release date:2019-05-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QSH
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BU of 5qsh by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434868
Descriptor: 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine, 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 (1.9 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOY
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BU of 5qoy by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with YW-FY-378
Descriptor: 1,2-ETHANEDIOL, 1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one, 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 (1.69 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QT0
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BU of 5qt0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z321318226
Descriptor: N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, 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:2019-05-26
Release date:2019-08-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QOR
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BU of 5qor by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1203490773
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 (1.95 Å)
Cite:PanDDA analysis group deposition
To Be Published

222415

数据于2024-07-10公开中

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