5QOM
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![BU of 5qom by Molmil](/molmil-images/mine/5qom) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000576a | Descriptor: | 1,2-ETHANEDIOL, 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole, 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 (1.87 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QXX
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![BU of 5qxx by Molmil](/molmil-images/mine/5qxx) | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ99 | Descriptor: | (7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5QXY
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![BU of 5qxy by Molmil](/molmil-images/mine/5qxy) | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with JKH93A | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5QOV
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![BU of 5qov by Molmil](/molmil-images/mine/5qov) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1699011516 | 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 (1.65 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QXZ
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![BU of 5qxz by Molmil](/molmil-images/mine/5qxz) | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF853 | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5QPB
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![BU of 5qpb by Molmil](/molmil-images/mine/5qpb) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000701a | 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 (1.68 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QY0
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![BU of 5qy0 by Molmil](/molmil-images/mine/5qy0) | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC591 | Descriptor: | (4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-03-09 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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7TDH
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![BU of 7tdh by Molmil](/molmil-images/mine/7tdh) | Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in open conformation | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ... | Authors: | Nayak, A.R, Samso, M. | Deposit date: | 2021-12-31 | Release date: | 2022-03-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM. Elife, 11, 2022
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5QPQ
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![BU of 5qpq by Molmil](/molmil-images/mine/5qpq) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000631a | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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7TDI
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![BU of 7tdi by Molmil](/molmil-images/mine/7tdi) | Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in closed-inactivated conformation class 2 (Dataset-A) | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ... | Authors: | Nayak, A.R, Samso, M. | Deposit date: | 2021-12-31 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM. Elife, 11, 2022
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7TDK
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![BU of 7tdk by Molmil](/molmil-images/mine/7tdk) | Rabbit RyR1 with AMP-PCP and high Ca2+ embedded in nanodisc in closed-inactivated conformation class 3 (Dataset-A) | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ryanodine receptor 1,Ryanodine receptor 1,RyR1, ... | Authors: | Nayak, A.R, Samso, M. | Deposit date: | 2021-12-31 | Release date: | 2022-03-09 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Ca 2+ -inactivation of the mammalian ryanodine receptor type 1 in a lipidic environment revealed by cryo-EM. Elife, 11, 2022
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5QQ8
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![BU of 5qq8 by Molmil](/molmil-images/mine/5qq8) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000563a | Descriptor: | 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione, ACETATE ION, Farnesyl diphosphate synthase, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-03-12 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library 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 | Descriptor: | 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, 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 (1.55 Å) | Cite: | 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 | Descriptor: | 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine, 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 (1.72 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QS8
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![BU of 5qs8 by Molmil](/molmil-images/mine/5qs8) | PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z1432018343 | Descriptor: | (2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol, 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 (1.47 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QST
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![BU of 5qst by Molmil](/molmil-images/mine/5qst) | PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2447286438 | Descriptor: | (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide, Cohesin subunit SA-1 | 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 (2.58 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QT7
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![BU of 5qt7 by Molmil](/molmil-images/mine/5qt7) | T. brucei FPPS in complex with CID 66669982 | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase, ... | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | Deposit date: | 2019-08-07 | Release date: | 2020-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | T. brucei FPPS in complex with CID 66669982 To Be Published
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5QTG
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![BU of 5qtg by Molmil](/molmil-images/mine/5qtg) | T. brucei FPPS in complex with CID 126782062 | Descriptor: | 2-fluoro-N,3-dimethylbenzene-1-sulfonamide, Farnesyl pyrophosphate synthase, GLYCEROL, ... | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. | Deposit date: | 2019-08-09 | Release date: | 2020-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | T. brucei FPPS in complex with CID 126782062 To Be Published
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5QP2
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![BU of 5qp2 by Molmil](/molmil-images/mine/5qp2) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1170065264 | 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 (1.83 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QP5
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![BU of 5qp5 by Molmil](/molmil-images/mine/5qp5) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z2895259681 | Descriptor: | 1,2-ETHANEDIOL, 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-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 (1.9 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QP6
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![BU of 5qp6 by Molmil](/molmil-images/mine/5qp6) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1662802141 | Descriptor: | 1,2-ETHANEDIOL, 5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-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 (1.65 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QP7
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![BU of 5qp7 by Molmil](/molmil-images/mine/5qp7) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with PB1230873739 | 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 (1.88 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QPL
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![BU of 5qpl by Molmil](/molmil-images/mine/5qpl) | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000464a | Descriptor: | ACETATE ION, Farnesyl diphosphate synthase, N-[(2S)-2-hydroxypropyl]-N'-phenylurea, ... | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | Deposit date: | 2019-04-04 | Release date: | 2020-04-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library 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 | Descriptor: | 1,2-ETHANEDIOL, Kalirin, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea, ... | Authors: | 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. | Deposit date: | 2019-05-03 | Release date: | 2019-12-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | 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 | 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 (1.67 Å) | Cite: | PanDDA analysis group deposition To Be Published
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