5QQQ
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![BU of 5qqq by Molmil](/molmil-images/mine/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
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![BU of 5qra by Molmil](/molmil-images/mine/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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5QSL
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![BU of 5qsl by Molmil](/molmil-images/mine/5qsl) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1273312153 | 分子名称: | CADMIUM ION, N-methyl-1H-indole-7-carboxamide, 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 (2.2 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QHS
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![BU of 5qhs by Molmil](/molmil-images/mine/5qhs) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FF000014a | 分子名称: | 1,2-ETHANEDIOL, 1-methyl-3-oxidanyl-pyridin-2-one, Protein FAM83B | 著者 | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | 登録日 | 2018-05-18 | 公開日 | 2018-12-19 | 実験手法 | X-RAY DIFFRACTION (1.95 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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5QI6
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![BU of 5qi6 by Molmil](/molmil-images/mine/5qi6) | PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000597a | 分子名称: | 4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]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 (1.1 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QID
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![BU of 5qid by Molmil](/molmil-images/mine/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
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![BU of 5qit by Molmil](/molmil-images/mine/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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5QQR
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![BU of 5qqr by Molmil](/molmil-images/mine/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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5QHJ
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![BU of 5qhj by Molmil](/molmil-images/mine/5qhj) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000709a | 分子名称: | (2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol, 1,2-ETHANEDIOL, IODIDE ION, ... | 著者 | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | 登録日 | 2018-05-18 | 公開日 | 2018-12-19 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.68 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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5QR6
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![BU of 5qr6 by Molmil](/molmil-images/mine/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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5QI3
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![BU of 5qi3 by Molmil](/molmil-images/mine/5qi3) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000475a | 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 (1.05 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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5QRM
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![BU of 5qrm by Molmil](/molmil-images/mine/5qrm) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1899842917 | 分子名称: | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, 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 (1.55 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QQG
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![BU of 5qqg by Molmil](/molmil-images/mine/5qqg) | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-541-216 | 分子名称: | 1,2-ETHANEDIOL, Kalirin, N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea, ... | 著者 | Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F. | 登録日 | 2019-05-03 | 公開日 | 2019-12-18 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QR2
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![BU of 5qr2 by Molmil](/molmil-images/mine/5qr2) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854 | 分子名称: | 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, 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 (1.66 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QHO
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![BU of 5qho by Molmil](/molmil-images/mine/5qho) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000010a | 分子名称: | 1,2-ETHANEDIOL, Protein FAM83B, di(piperidin-1-yl)methanone | 著者 | Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. | 登録日 | 2018-05-18 | 公開日 | 2018-12-19 | 実験手法 | X-RAY DIFFRACTION (1.66 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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5QRK
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![BU of 5qrk by Molmil](/molmil-images/mine/5qrk) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z275179758 | 分子名称: | CADMIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide, 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 (1.63 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QI5
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![BU of 5qi5 by Molmil](/molmil-images/mine/5qi5) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000633a | 分子名称: | 2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide, 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 (1.05 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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5QIX
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![BU of 5qix by Molmil](/molmil-images/mine/5qix) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0103007 | 分子名称: | 1,2-ETHANEDIOL, N-(3-phenylprop-2-yn-1-yl)acetamide, 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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5QQS
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![BU of 5qqs by Molmil](/molmil-images/mine/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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2P6N
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![BU of 2p6n by Molmil](/molmil-images/mine/2p6n) | Human DEAD-box RNA helicase DDX41, helicase domain | 分子名称: | ATP-dependent RNA helicase DDX41 | 著者 | Karlberg, T, Ogg, D, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Johansson, I, Kotenyova, T, Lehtio, L, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | 登録日 | 2007-03-19 | 公開日 | 2007-04-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Comparative Structural Analysis of Human DEAD-Box RNA Helicases. Plos One, 5, 2010
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2UZC
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![BU of 2uzc by Molmil](/molmil-images/mine/2uzc) | Structure of human PDLIM5 in complex with the C-terminal peptide of human alpha-actinin-1 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, PDZ AND LIM DOMAIN 5 | 著者 | Bunkoczi, G, Elkins, J, Salah, E, Burgess-Brown, N, Papagrigoriou, E, Pike, A.C.W, Turnbull, A, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Weigelt, J, Doyle, D. | 登録日 | 2007-04-27 | 公開日 | 2007-05-08 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Unusual binding interactions in PDZ domain crystal structures help explain binding mechanisms. Protein Sci., 19, 2010
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5QS9
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![BU of 5qs9 by Molmil](/molmil-images/mine/5qs9) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z48847594 | 分子名称: | N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, 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 (1.43 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QSQ
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![BU of 5qsq by Molmil](/molmil-images/mine/5qsq) | PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z396380540 | 分子名称: | Cohesin subunit SA-1, ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide | 著者 | Newman, J.A, Katis, V.L, Gavard, A.E, 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 (2.48 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5Q6M
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![BU of 5q6m by Molmil](/molmil-images/mine/5q6m) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 159) | 分子名称: | DCLRE1A, 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 | 2017-05-25 | 公開日 | 2018-08-08 | 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 To Be Published
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5Q72
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![BU of 5q72 by Molmil](/molmil-images/mine/5q72) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 175) | 分子名称: | DCLRE1A, 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 | 2017-05-25 | 公開日 | 2018-08-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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