6WZZ
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![BU of 6wzz by Molmil](/molmil-images/mine/6wzz) | GID4 in complex with VGLWKS peptide | 分子名称: | Glucose-induced degradation protein 4 homolog, UNKNOWN ATOM OR ION, VGLWKS peptide | 著者 | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2020-05-14 | 公開日 | 2020-06-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Recognition of nonproline N-terminal residues by the Pro/N-degron pathway. Proc.Natl.Acad.Sci.USA, 117, 2020
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7P3A
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![BU of 7p3a by Molmil](/molmil-images/mine/7p3a) | N-terminal domain of CGI-99 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ISOPROPYL ALCOHOL, ... | 著者 | Kroupova, A, Jinek, M. | 登録日 | 2021-07-07 | 公開日 | 2021-12-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Molecular architecture of the human tRNA ligase complex. Elife, 10, 2021
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7P3B
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![BU of 7p3b by Molmil](/molmil-images/mine/7p3b) | Human RNA ligase RTCB in complex with GMP and Co(II) | 分子名称: | ACETATE ION, COBALT (II) ION, FORMIC ACID, ... | 著者 | Kroupova, A, Ackle, F, Jinek, M. | 登録日 | 2021-07-07 | 公開日 | 2021-12-22 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Molecular architecture of the human tRNA ligase complex. Elife, 10, 2021
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6WZX
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![BU of 6wzx by Molmil](/molmil-images/mine/6wzx) | GID4 in complex with IGLWKS peptide | 分子名称: | Glucose-induced degradation protein 4 homolog, ILE-GLY-LEU-TRP-LYS peptide, UNKNOWN ATOM OR ION | 著者 | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2020-05-14 | 公開日 | 2020-06-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Recognition of nonproline N-terminal residues by the Pro/N-degron pathway. Proc.Natl.Acad.Sci.USA, 117, 2020
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6XVC
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![BU of 6xvc by Molmil](/molmil-images/mine/6xvc) | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 1 | 分子名称: | (4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-01-21 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.098 Å) | 主引用文献 | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy. Angew.Chem.Int.Ed.Engl., 59, 2020
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1E1L
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![BU of 1e1l by Molmil](/molmil-images/mine/1e1l) | |
1E1K
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![BU of 1e1k by Molmil](/molmil-images/mine/1e1k) | |
1E1M
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![BU of 1e1m by Molmil](/molmil-images/mine/1e1m) | |
8BVI
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![BU of 8bvi by Molmil](/molmil-images/mine/8bvi) | |
1E1N
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![BU of 1e1n by Molmil](/molmil-images/mine/1e1n) | |
6XUZ
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![BU of 6xuz by Molmil](/molmil-images/mine/6xuz) | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 4 | 分子名称: | 6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine, Bromodomain-containing protein 4 | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-01-21 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy. Angew.Chem.Int.Ed.Engl., 59, 2020
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6XV3
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![BU of 6xv3 by Molmil](/molmil-images/mine/6xv3) | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 3 | 分子名称: | 3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine, Bromodomain-containing protein 4 | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-01-21 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy. Angew.Chem.Int.Ed.Engl., 59, 2020
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6XQJ
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![BU of 6xqj by Molmil](/molmil-images/mine/6xqj) | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A | 分子名称: | Protein Vpr,UV excision repair protein RAD23 homolog A, ZINC ION | 著者 | Byeon, I.-J.L, Calero, G, Wu, Y, Byeon, C.H, Gronenborn, A.M. | 登録日 | 2020-07-09 | 公開日 | 2021-11-17 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A. Nat Commun, 12, 2021
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6XV7
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![BU of 6xv7 by Molmil](/molmil-images/mine/6xv7) | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 2 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine | 著者 | Bader, G, Kessler, D, Wolkerstorfer, B. | 登録日 | 2020-01-21 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.668 Å) | 主引用文献 | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy. Angew.Chem.Int.Ed.Engl., 59, 2020
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7PUI
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![BU of 7pui by Molmil](/molmil-images/mine/7pui) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-pyridineboronic acid | 分子名称: | Cholinephosphate cytidylyltransferase, pyridin-2-ylboronic acid | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-09-30 | 公開日 | 2022-10-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors. To Be Published
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7PVE
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![BU of 7pve by Molmil](/molmil-images/mine/7pve) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-bromo-1H-imidazole | 分子名称: | 4-bromo-1H-imidazole, Cholinephosphate cytidylyltransferase | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-02 | 公開日 | 2022-10-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7PVG
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![BU of 7pvg by Molmil](/molmil-images/mine/7pvg) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with isonicotinic acid | 分子名称: | Cholinephosphate cytidylyltransferase, pyridine-4-carboxylic acid | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-02 | 公開日 | 2022-10-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7PVF
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![BU of 7pvf by Molmil](/molmil-images/mine/7pvf) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-hydroxy-1lambda6-thietane-1,1-dione | 分子名称: | 1,1-bis(oxidanylidene)thietan-3-ol, Cholinephosphate cytidylyltransferase, Guanidinium | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-02 | 公開日 | 2022-10-05 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7PYA
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![BU of 7pya by Molmil](/molmil-images/mine/7pya) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-Hydroxyazetidine hydrochloride | 分子名称: | Cholinephosphate cytidylyltransferase, azetidin-3-ol | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-09 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7PY9
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![BU of 7py9 by Molmil](/molmil-images/mine/7py9) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with (pyrrolidin-2-yl)methanol | 分子名称: | Cholinephosphate cytidylyltransferase, D-Prolinol | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-09 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7PYB
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![BU of 7pyb by Molmil](/molmil-images/mine/7pyb) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Hydroxypyridine | 分子名称: | 1~{H}-pyridin-2-one, Cholinephosphate cytidylyltransferase, Guanidinium | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-09 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7PYC
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![BU of 7pyc by Molmil](/molmil-images/mine/7pyc) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-Aminopyridine | 分子名称: | 2-AMINOPYRIDINE, Cholinephosphate cytidylyltransferase, Guanidinium | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-09 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7Q3M
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![BU of 7q3m by Molmil](/molmil-images/mine/7q3m) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-hydroxypiperidine | 分子名称: | (3S)-piperidin-3-ol, Cholinephosphate cytidylyltransferase, Guanidinium | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-28 | 公開日 | 2022-11-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors. To Be Published
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7Q2V
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![BU of 7q2v by Molmil](/molmil-images/mine/7q2v) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1-methylpyrrolidin-3-ol | 分子名称: | (3R)-1-methylpyrrolidin-3-ol, Cholinephosphate cytidylyltransferase | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-26 | 公開日 | 2022-11-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors To Be Published
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7Q2K
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![BU of 7q2k by Molmil](/molmil-images/mine/7q2k) | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 2-pyrrolidinone | 分子名称: | Cholinephosphate cytidylyltransferase, pyrrolidin-2-one | 著者 | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | 登録日 | 2021-10-25 | 公開日 | 2022-11-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors. To Be Published
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