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 | Descriptor: | CADMIUM ION, N-methyl-1H-indole-7-carboxamide, T-box transcription factor T | Authors: | 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. | Deposit date: | 2019-05-25 | Release date: | 2019-07-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QSY
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![BU of 5qsy by Molmil](/molmil-images/mine/5qsy) | PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z755044716 | Descriptor: | Cohesin subunit SA-1, N-ethyl-1H-1,2,3-triazole-4-carboxamide | Authors: | Newman, J.A, Katis, V.L, Gavard, A.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-25 | Release date: | 2019-08-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QOT
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![BU of 5qot by Molmil](/molmil-images/mine/5qot) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1592710382 | Descriptor: | 1,2-ETHANEDIOL, 1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide, ACETATE ION, ... | Authors: | 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. | Deposit date: | 2019-02-22 | Release date: | 2019-05-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q6Z
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![BU of 5q6z by Molmil](/molmil-images/mine/5q6z) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 172) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | 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. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QP8
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![BU of 5qp8 by Molmil](/molmil-images/mine/5qp8) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with PB1787571279 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... | Authors: | 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. | Deposit date: | 2019-02-22 | Release date: | 2019-05-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q7B
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![BU of 5q7b by Molmil](/molmil-images/mine/5q7b) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 184) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | 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. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q7S
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![BU of 5q7s by Molmil](/molmil-images/mine/5q7s) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 201) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | 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. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q8C
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![BU of 5q8c by Molmil](/molmil-images/mine/5q8c) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 221) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | 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. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q8Q
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![BU of 5q8q by Molmil](/molmil-images/mine/5q8q) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 236) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | 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. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q96
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![BU of 5q96 by Molmil](/molmil-images/mine/5q96) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 252) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | 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. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q9M
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![BU of 5q9m by Molmil](/molmil-images/mine/5q9m) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 268) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | 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. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QR1
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![BU of 5qr1 by Molmil](/molmil-images/mine/5qr1) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z396380540 | Descriptor: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | Authors: | 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. | Deposit date: | 2019-05-22 | Release date: | 2019-08-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QRH
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![BU of 5qrh by Molmil](/molmil-images/mine/5qrh) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z32327641 | Descriptor: | CADMIUM ION, T-box transcription factor T, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone | Authors: | 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. | Deposit date: | 2019-05-25 | Release date: | 2019-07-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q7C
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![BU of 5q7c by Molmil](/molmil-images/mine/5q7c) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 185) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | 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. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q7Z
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![BU of 5q7z by Molmil](/molmil-images/mine/5q7z) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 208) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | 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. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QH4
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![BU of 5qh4 by Molmil](/molmil-images/mine/5qh4) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000220a | Descriptor: | 2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | 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. | Deposit date: | 2018-05-15 | Release date: | 2019-03-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QOS
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![BU of 5qos by Molmil](/molmil-images/mine/5qos) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1187701032 | Descriptor: | (3S)-N-(pyrimidin-2-yl)azepan-3-amine, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | 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. | Deposit date: | 2019-02-22 | Release date: | 2019-05-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | Authors: | 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. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QQW
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![BU of 5qqw by Molmil](/molmil-images/mine/5qqw) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z136583524 | Descriptor: | 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ... | Authors: | 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. | Deposit date: | 2019-05-22 | Release date: | 2019-08-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QRC
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![BU of 5qrc by Molmil](/molmil-images/mine/5qrc) | PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z31721798 | Descriptor: | 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one, 5-aminolevulinate synthase, erythroid-specific, ... | Authors: | 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. | Deposit date: | 2019-05-22 | Release date: | 2019-08-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QS6
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![BU of 5qs6 by Molmil](/molmil-images/mine/5qs6) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z44592329 | Descriptor: | N-phenyl-N'-pyridin-3-ylurea, T-box transcription factor T | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Fernandez-Cid, A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-06-19 | Release date: | 2019-08-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QSK
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![BU of 5qsk by Molmil](/molmil-images/mine/5qsk) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434906 | Descriptor: | (benzyloxy)acetic acid, T-box transcription factor T | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-05-25 | Release date: | 2019-08-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q6P
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![BU of 5q6p by Molmil](/molmil-images/mine/5q6p) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 162) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | 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. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q7L
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![BU of 5q7l by Molmil](/molmil-images/mine/5q7l) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 194) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | 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. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q81
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![BU of 5q81 by Molmil](/molmil-images/mine/5q81) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 210) | Descriptor: | DCLRE1A, MALONATE ION, NICKEL (II) ION | Authors: | 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. | Deposit date: | 2017-05-25 | Release date: | 2018-08-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | PanDDA analysis group deposition To Be Published
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