5QIW
 
 | | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102660 | | 分子名称: | N-[(E)-(4-methylphenyl)methylidene]acetamide, UNKNOWN LIGAND, Ubiquitin thioesterase OTUB2 | | 著者 | 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. | | 登録日 | 2018-08-10 | | 公開日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Covalent fragment group deposition
To Be Published
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5QOK
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000294a | | 分子名称: | 1,2-ETHANEDIOL, 8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-one, ACETATE ION, ... | | 著者 | 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. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QQQ
 | | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434857 | | 分子名称: | 3-[(thiomorpholin-4-yl)methyl]phenol, 5-aminolevulinate synthase, erythroid-specific, ... | | 著者 | 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. | | 登録日 | 2019-05-22 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QRA
 | | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1101755952 | | 分子名称: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | | 著者 | 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. | | 登録日 | 2019-05-22 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QOT
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1592710382 | | 分子名称: | 1,2-ETHANEDIOL, 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide, ACETATE ION, ... | | 著者 | 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. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QP8
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with PB1787571279 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... | | 著者 | 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. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QR1
 | | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z396380540 | | 分子名称: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | | 著者 | 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. | | 登録日 | 2019-05-22 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QOS
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1187701032 | | 分子名称: | (3S)-N-(pyrimidin-2-yl)azepan-3-amine, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | 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. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QQW
 | | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z136583524 | | 分子名称: | 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ... | | 著者 | 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. | | 登録日 | 2019-05-22 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QRC
 | | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z31721798 | | 分子名称: | 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one, 5-aminolevulinate synthase, erythroid-specific, ... | | 著者 | 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. | | 登録日 | 2019-05-22 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QOJ
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOCR000171b | | 分子名称: | 1,2-ETHANEDIOL, 2-(thiophen-2-yl)-1H-imidazole, ACETATE ION, ... | | 著者 | 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. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QP3
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1494850193 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... | | 著者 | 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. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QQS
 | | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z275151340 | | 分子名称: | 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ... | | 著者 | 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. | | 登録日 | 2019-05-22 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QR7
 | | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z57299529 | | 分子名称: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | | 著者 | 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. | | 登録日 | 2019-05-22 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QID
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z1787627869 | | 分子名称: | 5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | | 著者 | MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W. | | 登録日 | 2018-05-22 | | 公開日 | 2018-07-18 | | 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 of models with modelled events (e.g. bound ligands)
To Be Published
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5QIT
 | | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102821 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(E)-(3-methylphenyl)methylidene]acetamide, ... | | 著者 | 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. | | 登録日 | 2018-08-10 | | 公開日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Covalent fragment group deposition
To Be Published
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5QOI
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000213a | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... | | 著者 | 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. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QP9
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z100435060 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... | | 著者 | 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. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QQR
 | | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1171217421 | | 分子名称: | 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine, 5-aminolevulinate synthase, erythroid-specific, ... | | 著者 | 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. | | 登録日 | 2019-05-22 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QIR
 | | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102305 | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(4-fluoro-3-methylphenyl)methyl]acetamide, ... | | 著者 | 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. | | 登録日 | 2018-08-10 | | 公開日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Covalent fragment group deposition
To Be Published
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5QR6
 | | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z44567722 | | 分子名称: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | | 著者 | 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. | | 登録日 | 2019-05-22 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QP1
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1190363272 | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... | | 著者 | 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. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 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
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5QOP
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with NUOOA000023a | | 分子名称: | (azepan-1-yl)(4-methoxyphenyl)methanone, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | 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. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QOW
 | | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z2895259675 | | 分子名称: | 1,2-ETHANEDIOL, 5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide, ACETATE ION, ... | | 著者 | 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. | | 登録日 | 2019-03-21 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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5QPC
 | | Crystal Structure of DCP2 (NUDT20) after initial refinement with no ligand modelled (structure $n) | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... | | 著者 | 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. | | 登録日 | 2019-02-22 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | PanDDA analysis group deposition of ground-state model
To Be Published
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