5Q92
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![BU of 5q92 by Molmil](/molmil-images/mine/5q92) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 248) | 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 (2.11 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q9H
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![BU of 5q9h by Molmil](/molmil-images/mine/5q9h) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 263) | 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 (1.81 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5Q9Z
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![BU of 5q9z by Molmil](/molmil-images/mine/5q9z) | PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 281) | 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 (1.77 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QOL
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![BU of 5qol by Molmil](/molmil-images/mine/5qol) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000435a | Descriptor: | (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone, 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 (1.85 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QOX
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![BU of 5qox by Molmil](/molmil-images/mine/5qox) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z2212124043 | 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 (1.95 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QOO
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![BU of 5qoo by Molmil](/molmil-images/mine/5qoo) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000144a | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide, 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 (1.56 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QOU
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![BU of 5qou by Molmil](/molmil-images/mine/5qou) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z296300542 | 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 (2.19 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QPA
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![BU of 5qpa by Molmil](/molmil-images/mine/5qpa) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000449a | Descriptor: | 1,2-ETHANEDIOL, 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-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 (1.61 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QOR
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![BU of 5qor by Molmil](/molmil-images/mine/5qor) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1203490773 | 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 (1.95 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QON
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![BU of 5qon by Molmil](/molmil-images/mine/5qon) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000446a | 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 (1.8 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QOZ
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![BU of 5qoz by Molmil](/molmil-images/mine/5qoz) | 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: | 2019-03-21 | 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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5QP0
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![BU of 5qp0 by Molmil](/molmil-images/mine/5qp0) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z454376544 | 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 (2 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QP4
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![BU of 5qp4 by Molmil](/molmil-images/mine/5qp4) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z450133538 | Descriptor: | 1,2-ETHANEDIOL, 1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-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 (1.71 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QOQ
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![BU of 5qoq by Molmil](/molmil-images/mine/5qoq) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z2895259680 | Descriptor: | 1,2-ETHANEDIOL, 3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-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 (1.49 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QOY
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![BU of 5qoy by Molmil](/molmil-images/mine/5qoy) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with YW-FY-378 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one, 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 (1.69 Å) | Cite: | PanDDA analysis group deposition To Be Published
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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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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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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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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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5S7M
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![BU of 5s7m by Molmil](/molmil-images/mine/5s7m) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000275d | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | XChem group deposition To Be Published
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5S7N
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![BU of 5s7n by Molmil](/molmil-images/mine/5s7n) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010920a | Descriptor: | 1,2-ETHANEDIOL, 1H-imidazol-2-amine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | XChem group deposition To Be Published
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5S7W
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![BU of 5s7w by Molmil](/molmil-images/mine/5s7w) | XChem group deposition -- Crystal Structure of human ACVR1 in complex with HM000007h | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | Deposit date: | 2020-12-11 | Release date: | 2021-06-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | XChem group deposition To Be Published
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