5QQX
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![BU of 5qqx by Molmil](/molmil-images/mine/5qqx) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z373768900 | 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 (1.5 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QI8
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![BU of 5qi8 by Molmil](/molmil-images/mine/5qi8) | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000605a | 分子名称: | 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | 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. | 登録日 | 2018-05-21 | 公開日 | 2019-04-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.09 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QRD
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![BU of 5qrd by Molmil](/molmil-images/mine/5qrd) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1328968520 | 分子名称: | 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole, 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 (1.76 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QIP
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![BU of 5qip by Molmil](/molmil-images/mine/5qip) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102153 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, 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 (1.63 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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5QS2
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![BU of 5qs2 by Molmil](/molmil-images/mine/5qs2) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z291279160 | 分子名称: | 1-[2-(trifluoromethyloxy)phenyl]thiourea, CADMIUM ION, T-box transcription factor T | 著者 | 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. | 登録日 | 2019-05-25 | 公開日 | 2019-07-10 | 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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5QIA
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![BU of 5qia by Molmil](/molmil-images/mine/5qia) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000242a | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | 著者 | 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. | 登録日 | 2018-05-21 | 公開日 | 2019-04-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.14 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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5QIV
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![BU of 5qiv by Molmil](/molmil-images/mine/5qiv) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102998 | 分子名称: | 1,2-ETHANEDIOL, N'-acetyl-2-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide, UNKNOWN LIGAND, ... | 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 (1.39 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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5QIQ
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![BU of 5qiq by Molmil](/molmil-images/mine/5qiq) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0103050 | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(4-bromothiophen-2-yl)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 (1.44 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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5QJC
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![BU of 5qjc by Molmil](/molmil-images/mine/5qjc) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z755044716 | 分子名称: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | 著者 | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | 登録日 | 2018-10-31 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.47 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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5QJ5
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![BU of 5qj5 by Molmil](/molmil-images/mine/5qj5) | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with Z44592329 | 分子名称: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | 著者 | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | 登録日 | 2018-10-31 | 公開日 | 2018-12-19 | 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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5QJN
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![BU of 5qjn by Molmil](/molmil-images/mine/5qjn) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1439422127 | 分子名称: | (2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine, 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, ... | 著者 | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | 登録日 | 2018-11-12 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.77 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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5QJK
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![BU of 5qjk by Molmil](/molmil-images/mine/5qjk) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z373221060 | 分子名称: | 1,2-ETHANEDIOL, 6-(azetidin-1-yl)-9H-purine, ADP-sugar pyrophosphatase, ... | 著者 | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | 登録日 | 2018-10-31 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.65 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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5QJZ
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![BU of 5qjz by Molmil](/molmil-images/mine/5qjz) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1696822287 | 分子名称: | (1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine, 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, ... | 著者 | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | 登録日 | 2018-10-31 | 公開日 | 2018-12-19 | 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 of models with modelled events (e.g. bound ligands) To Be Published
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5QK4
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![BU of 5qk4 by Molmil](/molmil-images/mine/5qk4) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z44590919 | 分子名称: | 1,2-ETHANEDIOL, 4-acetyl-N-ethylpiperazine-1-carboxamide, ADP-sugar pyrophosphatase, ... | 著者 | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | 登録日 | 2018-10-31 | 公開日 | 2018-12-19 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.62 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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5QOQ
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![BU of 5qoq by Molmil](/molmil-images/mine/5qoq) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z2895259680 | 分子名称: | 1,2-ETHANEDIOL, 3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-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 (1.49 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QOY
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![BU of 5qoy by Molmil](/molmil-images/mine/5qoy) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with YW-FY-378 | 分子名称: | 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, ... | 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 (1.69 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QTN
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![BU of 5qtn by Molmil](/molmil-images/mine/5qtn) | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with SS-4432 | 分子名称: | 1,2-ETHANEDIOL, 5-fluoro-1H-pyrrolo[2,3-b]pyridine, ADP-sugar pyrophosphatase, ... | 著者 | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2019-08-14 | 公開日 | 2019-12-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QTQ
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![BU of 5qtq by Molmil](/molmil-images/mine/5qtq) | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-1169 | 分子名称: | 1,2-ETHANEDIOL, 5-fluoroquinazolin-4(3H)-one, ADP-sugar pyrophosphatase, ... | 著者 | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2019-08-14 | 公開日 | 2019-12-25 | 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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5QTO
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![BU of 5qto by Molmil](/molmil-images/mine/5qto) | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with 1R-0641 | 分子名称: | 1,2-ETHANEDIOL, 3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine, ADP-sugar pyrophosphatase, ... | 著者 | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2019-08-14 | 公開日 | 2019-12-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QQZ
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![BU of 5qqz by Molmil](/molmil-images/mine/5qqz) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1675346324 | 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 (1.55 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QTL
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![BU of 5qtl by Molmil](/molmil-images/mine/5qtl) | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with GB-0804 | 分子名称: | 1,2-ETHANEDIOL, 4-(trifluoromethyl)pyrimidin-2-amine, CHLORIDE ION, ... | 著者 | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2019-10-31 | 公開日 | 2019-12-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QRF
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![BU of 5qrf by Molmil](/molmil-images/mine/5qrf) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z373768900 | 分子名称: | CADMIUM ION, N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, T-box transcription factor T | 著者 | 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. | 登録日 | 2019-05-25 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QRL
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![BU of 5qrl by Molmil](/molmil-images/mine/5qrl) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z437516460 | 分子名称: | CADMIUM ION, N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide, T-box transcription factor T | 著者 | 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. | 登録日 | 2019-05-25 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QTP
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![BU of 5qtp by Molmil](/molmil-images/mine/5qtp) | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with AE-0227 | 分子名称: | 1,2-ETHANEDIOL, 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile, ADP-sugar pyrophosphatase, ... | 著者 | Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2019-08-14 | 公開日 | 2019-12-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QSB
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![BU of 5qsb by Molmil](/molmil-images/mine/5qsb) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434874 | 分子名称: | 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol, T-box transcription factor T | 著者 | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | 登録日 | 2019-05-25 | 公開日 | 2019-08-21 | 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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