5Q9U
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![BU of 5q9u by Molmil](/molmil-images/mine/5q9u) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 276) | 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 (1.49 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QA9
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![BU of 5qa9 by Molmil](/molmil-images/mine/5qa9) | OXA-48 IN COMPLEX WITH COMPOUND 5 | 分子名称: | 1,2-ETHANEDIOL, 3-[3-(hydroxymethyl)phenyl]benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAL
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![BU of 5qal by Molmil](/molmil-images/mine/5qal) | OXA-48 IN COMPLEX WITH COMPOUND 11b | 分子名称: | 1,2-ETHANEDIOL, 3-(4-aminocarbonylphenyl)benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QB4
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![BU of 5qb4 by Molmil](/molmil-images/mine/5qb4) | OXA-48 IN COMPLEX WITH SUBSTRATE IMIPENEM | 分子名称: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QGK
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![BU of 5qgk by Molmil](/molmil-images/mine/5qgk) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000679a | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, N-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ... | 著者 | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2018-05-15 | 公開日 | 2019-03-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.81 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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5QGU
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![BU of 5qgu by Molmil](/molmil-images/mine/5qgu) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000747a | 分子名称: | (4-tert-butylpiperidin-1-yl)(phenyl)methanone, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2018-05-15 | 公開日 | 2019-03-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.71 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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5QH7
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![BU of 5qh7 by Molmil](/molmil-images/mine/5qh7) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000194a | 分子名称: | 2-(3-methylphenyl)-N-(1,2-oxazol-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2018-05-15 | 公開日 | 2019-03-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.74 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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5QHN
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![BU of 5qhn by Molmil](/molmil-images/mine/5qhn) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000622a | 分子名称: | 1,2-ETHANEDIOL, Protein FAM83B, methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate | 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 (1.73 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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5Q6F
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![BU of 5q6f by Molmil](/molmil-images/mine/5q6f) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 152) | 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 (1.55 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5Q6W
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![BU of 5q6w by Molmil](/molmil-images/mine/5q6w) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 169) | 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 (1.5 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5Q7F
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![BU of 5q7f by Molmil](/molmil-images/mine/5q7f) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 188) | 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 (1.64 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5Q7X
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![BU of 5q7x by Molmil](/molmil-images/mine/5q7x) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 206) | 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 (1.69 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QGP
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![BU of 5qgp by Molmil](/molmil-images/mine/5qgp) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with OX-221 | 分子名称: | (3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2018-05-15 | 公開日 | 2019-03-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.09 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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5Q88
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![BU of 5q88 by Molmil](/molmil-images/mine/5q88) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 217) | 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 (1.78 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QH2
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![BU of 5qh2 by Molmil](/molmil-images/mine/5qh2) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000188 | 分子名称: | 2-(3-methylphenyl)-N-(pyridin-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | 登録日 | 2018-05-15 | 公開日 | 2019-03-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.74 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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5Q8P
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![BU of 5q8p by Molmil](/molmil-images/mine/5q8p) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 235) | 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 (1.45 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5Q95
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![BU of 5q95 by Molmil](/molmil-images/mine/5q95) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 251) | 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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5QHK
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![BU of 5qhk by Molmil](/molmil-images/mine/5qhk) | 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, IODIDE ION, 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 | 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 of models with modelled events (e.g. bound ligands) To Be Published
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5Q9O
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![BU of 5q9o by Molmil](/molmil-images/mine/5q9o) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 270) | 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 (1.37 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5QI7
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![BU of 5qi7 by Molmil](/molmil-images/mine/5qi7) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000506a | 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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5QA5
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![BU of 5qa5 by Molmil](/molmil-images/mine/5qa5) | OXA-48 IN COMPLEX WITH COMPOUND 3b | 分子名称: | 1,2-ETHANEDIOL, 3-(3-methylphenyl)benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QAQ
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![BU of 5qaq by Molmil](/molmil-images/mine/5qaq) | OXA-48 IN COMPLEX WITH COMPOUND 21b | 分子名称: | 1,2-ETHANEDIOL, 3-(4-acetamidophenyl)benzoic acid, Beta-lactamase, ... | 著者 | Lund, B.A, Leiros, H.K.S. | 登録日 | 2017-07-11 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
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5QIY
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![BU of 5qiy by Molmil](/molmil-images/mine/5qiy) | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102954 | 分子名称: | N'-acetyl-2-chlorobenzohydrazide, 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 (1.58 Å) | 主引用文献 | Covalent fragment group deposition To Be Published
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5QJ7
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![BU of 5qj7 by Molmil](/molmil-images/mine/5qj7) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z32327641 | 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 (1.56 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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5QJL
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![BU of 5qjl by Molmil](/molmil-images/mine/5qjl) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z56983806 | 分子名称: | 1,2-ETHANEDIOL, 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, 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 (1.66 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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