5QQI
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![BU of 5qqi by Molmil](/molmil-images/mine/5qqi) | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-178-994 | 分子名称: | 1,2-ETHANEDIOL, Kalirin, N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)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 (2.08 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QQD
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![BU of 5qqd by Molmil](/molmil-images/mine/5qqd) | PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with Z56880342 | 分子名称: | 1,2-ETHANEDIOL, Kalirin, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)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 (1.91 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QU9
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![BU of 5qu9 by Molmil](/molmil-images/mine/5qu9) | PanDDA analysis group deposition of ground-state model of Kalirin/Rac1 screened against a customized urea fragment library by X-ray Crystallography at the XChem facility of Diamond Light Source beamline I04-1 | 分子名称: | 1,2-ETHANEDIOL, Kalirin, Ras-related C3 botulinum toxin substrate 1 | 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 | 2019-12-13 | 公開日 | 2020-01-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model To Be Published
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5S8Q
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![BU of 5s8q by Molmil](/molmil-images/mine/5s8q) | XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with FMO3D000185a (space group P212121) | 分子名称: | (3R)-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. | 登録日 | 2020-12-17 | 公開日 | 2021-01-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | XChem group deposition To Be Published
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3NGV
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![BU of 3ngv by Molmil](/molmil-images/mine/3ngv) | Crystal structure of AnSt-D7L1 | 分子名称: | D7 protein, GLYCEROL, SULFATE ION | 著者 | Andersen, J.F, Alvarenga, P.H, Francischetti, I.M, Ribeiro, J.M, Calvo, E. | 登録日 | 2010-06-13 | 公開日 | 2010-12-29 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | The function and three-dimensional structure of a thromboxane a(2)/cysteinyl leukotriene-binding protein from the saliva of a mosquito vector of the malaria parasite. Plos Biol., 8, 2010
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3NHI
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![BU of 3nhi by Molmil](/molmil-images/mine/3nhi) | Crystal structure of the AnSt-D7L1-leukotriene C4 complex | 分子名称: | (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid, D7 protein, GLYCEROL, ... | 著者 | Andersen, J.F, Alvarenga, P.H, Francischetti, I.M, Calvo, E, Sa-Nunes, A, Ribeiro, J.M. | 登録日 | 2010-06-14 | 公開日 | 2010-12-29 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | The function and three-dimensional structure of a thromboxane a(2)/cysteinyl leukotriene-binding protein from the saliva of a mosquito vector of the malaria parasite. Plos Biol., 8, 2010
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3NHT
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![BU of 3nht by Molmil](/molmil-images/mine/3nht) | Crystal structure of the AnSt-D7L1-U46619 complex | 分子名称: | (5E)-7-{6-[(1E)-3-HYDROXYOCT-1-ENYL]-2-OXABICYCLO[2.2.1]HEPT-5-YL}HEPT-5-ENOIC ACID, D7 protein, SULFATE ION | 著者 | Andersen, J.F, Alvarenga, P.H, Francischetti, I.M, Calvo, E, Sa-Nunes, A, Ribeiro, J.M. | 登録日 | 2010-06-14 | 公開日 | 2010-12-29 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | The function and three-dimensional structure of a thromboxane a(2)/cysteinyl leukotriene-binding protein from the saliva of a mosquito vector of the malaria parasite. Plos Biol., 8, 2010
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5QR7
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![BU of 5qr7 by Molmil](/molmil-images/mine/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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5QIB
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![BU of 5qib by Molmil](/molmil-images/mine/5qib) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with FMOPL000388a | 分子名称: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione, 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 (1.48 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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5QQY
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![BU of 5qqy by Molmil](/molmil-images/mine/5qqy) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434899 | 分子名称: | 1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol, 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 (1.49 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QRE
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![BU of 5qre by Molmil](/molmil-images/mine/5qre) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z117233350 | 分子名称: | 3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-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 (1.67 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QR0
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![BU of 5qr0 by Molmil](/molmil-images/mine/5qr0) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z730649594 | 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 (1.65 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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5QR5
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![BU of 5qr5 by Molmil](/molmil-images/mine/5qr5) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2241115980 | 分子名称: | 1-[(furan-2-yl)methyl]-4-(methylsulfonyl)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 (1.49 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QR4
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![BU of 5qr4 by Molmil](/molmil-images/mine/5qr4) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434826 | 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 (1.57 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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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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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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5QR3
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![BU of 5qr3 by Molmil](/molmil-images/mine/5qr3) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z915492990 | 分子名称: | 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-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 (1.71 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QQV
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![BU of 5qqv by Molmil](/molmil-images/mine/5qqv) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1545312521 | 分子名称: | (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-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 (1.52 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QR9
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![BU of 5qr9 by Molmil](/molmil-images/mine/5qr9) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z31478129 | 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 (1.62 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QQU
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![BU of 5qqu by Molmil](/molmil-images/mine/5qqu) | 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 (1.55 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QRB
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![BU of 5qrb by Molmil](/molmil-images/mine/5qrb) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434868 | 分子名称: | 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine, 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 (1.72 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QQT
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![BU of 5qqt by Molmil](/molmil-images/mine/5qqt) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434834 | 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 (1.67 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QR8
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![BU of 5qr8 by Molmil](/molmil-images/mine/5qr8) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z57258487 | 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 (1.85 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QT3
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![BU of 5qt3 by Molmil](/molmil-images/mine/5qt3) | Ground state model of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 - SGC Diamond Xchem fragment screening | 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 | 2019-06-28 | 公開日 | 2019-08-07 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model To Be Published
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