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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5QK0
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![BU of 5qk0 by Molmil](/molmil-images/mine/5qk0) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1270312110 | 分子名称: | 1,2-ETHANEDIOL, 2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline, 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 (1.44 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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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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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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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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5QTR
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![BU of 5qtr by Molmil](/molmil-images/mine/5qtr) | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-3764 | 分子名称: | 1,2-ETHANEDIOL, 6-fluoroquinazolin-4(3H)-one, MAGNESIUM 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 (1.55 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QTM
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![BU of 5qtm by Molmil](/molmil-images/mine/5qtm) | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-2639 | 分子名称: | 1,2-ETHANEDIOL, 7-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 (1.79 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QT0
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![BU of 5qt0 by Molmil](/molmil-images/mine/5qt0) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z321318226 | 分子名称: | N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, 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 | 2019-05-26 | 公開日 | 2019-08-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QTS
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![BU of 5qts by Molmil](/molmil-images/mine/5qts) | PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with 8J-537S | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-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 (1.85 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QRJ
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![BU of 5qrj by Molmil](/molmil-images/mine/5qrj) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z416341642 | 分子名称: | (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide, 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 (1.81 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QRO
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![BU of 5qro by Molmil](/molmil-images/mine/5qro) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1506050651 | 分子名称: | (1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide, 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 (1.61 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QRZ
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![BU of 5qrz by Molmil](/molmil-images/mine/5qrz) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1998104358 | 分子名称: | (5R)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide, 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 (1.96 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5Q1Y
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![BU of 5q1y by Molmil](/molmil-images/mine/5q1y) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000032a | 分子名称: | 2-[cyclohexyl(methylsulfonyl)amino]ethanamide, DNA cross-link repair 1A protein, MALONATE ION, ... | 著者 | 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. | 登録日 | 2017-05-15 | 公開日 | 2018-08-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5Q1N
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![BU of 5q1n by Molmil](/molmil-images/mine/5q1n) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000295a | 分子名称: | DNA cross-link repair 1A protein, MALONATE ION, NICKEL (II) ION, ... | 著者 | 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. | 登録日 | 2017-05-15 | 公開日 | 2018-08-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5R5E
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![BU of 5r5e by Molmil](/molmil-images/mine/5r5e) | PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13848a | 分子名称: | DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22, ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine | 著者 | Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M. | 登録日 | 2020-02-28 | 公開日 | 2020-07-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5RAZ
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![BU of 5raz by Molmil](/molmil-images/mine/5raz) | PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM010013a | 分子名称: | CHLORIDE ION, Lysine-specific demethylase 3B, MANGANESE (II) ION, ... | 著者 | Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | 登録日 | 2020-03-16 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library To Be Published
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5S7C
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![BU of 5s7c by Molmil](/molmil-images/mine/5s7c) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000274c | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | XChem group deposition To Be Published
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5S7P
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![BU of 5s7p by Molmil](/molmil-images/mine/5s7p) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010937a | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | XChem group deposition To Be Published
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5S76
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![BU of 5s76 by Molmil](/molmil-images/mine/5s76) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010916a | 分子名称: | (2S)-azetidine-2-carboxylic acid, 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | XChem group deposition To Be Published
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5S88
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![BU of 5s88 by Molmil](/molmil-images/mine/5s88) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010954a | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | XChem group deposition To Be Published
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5S87
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![BU of 5s87 by Molmil](/molmil-images/mine/5s87) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010953a | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | XChem group deposition To Be Published
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