6I6G
| Dehaloperoxidase B from Amphitrite ornata - complex with 5-bromoindole | 分子名称: | 5-bromanyl-1~{H}-indole, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Moreno-Chicano, T, Ebrahim, A.E, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Duyvesteyn, H. | 登録日 | 2018-11-15 | 公開日 | 2019-11-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography. Iucrj, 6, 2019
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6VWE
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6W7F
| Structure of EED bound to inhibitor 5285 | 分子名称: | 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2020-03-19 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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6I7Z
| Dye type peroxidase Aa from Streptomyces lividans: 32.8 kGy structure | 分子名称: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | 登録日 | 2018-11-19 | 公開日 | 2019-07-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
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6I8E
| Dye type peroxidase Aa from Streptomyces lividans: 65.6 kGy structure | 分子名称: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | 登録日 | 2018-11-20 | 公開日 | 2019-07-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
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6I91
| Dye type peroxidase Aa from Streptomyces lividans: 156.8 kGy structure | 分子名称: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | 登録日 | 2018-11-22 | 公開日 | 2019-12-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Dose-resolved serial synchrotron and XFEL structures of radiation sensitive metalloproteins To be published
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6VRL
| Cryo-EM structure of the wild-type human serotonin transporter complexed with I-paroxetine and 8B6 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | 著者 | Coleman, J.A, Navratna, V, Yang, D. | 登録日 | 2020-02-07 | 公開日 | 2020-03-11 | 最終更新日 | 2020-09-23 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife, 9, 2020
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6VS6
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6VV6
| Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 | 分子名称: | 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M. | 登録日 | 2020-02-17 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.235 Å) | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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1YVF
| Hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00729145 | 分子名称: | (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID, CHLORIDE ION, GLYCEROL, ... | 著者 | Pfefferkorn, J.A, Greene, M.L, Nugent, R.A, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.A, Kilkuskie, R.E, Kopta, L.A, Schwende, F.J. | 登録日 | 2005-02-15 | 公開日 | 2005-04-19 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid. Bioorg.Med.Chem.Lett., 15, 2005
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6I8O
| Dye type peroxidase Aa from Streptomyces lividans: 39.2kGy structure | 分子名称: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | 登録日 | 2018-11-20 | 公開日 | 2019-07-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
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6VSB
| Prefusion 2019-nCoV spike glycoprotein with a single receptor-binding domain up | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Wrapp, D, Wang, N, Corbett, K.S, Goldsmith, J.A, Hsieh, C, Abiona, O, Graham, B.S, McLellan, J.S. | 登録日 | 2020-02-10 | 公開日 | 2020-02-26 | 最終更新日 | 2021-01-27 | 実験手法 | ELECTRON MICROSCOPY (3.46 Å) | 主引用文献 | Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation. Science, 367, 2020
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6W2C
| Anomalous iodine signal reveals the position of I-paroxetine complexed with the serotonin transporter at the central site | 分子名称: | 8B6 heavy chain antibody fragment, 8B6 light chain antibody fragment, I-paroxetine, ... | 著者 | Coleman, J.A, Navratna, V, Yang, D. | 登録日 | 2020-03-05 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (6.3 Å) | 主引用文献 | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife, 9, 2020
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6W7G
| Structure of EED bound to inhibitor 1056 | 分子名称: | 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ... | 著者 | Petrunak, E.M, Stuckey, J.A. | 登録日 | 2020-03-19 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development. J.Med.Chem., 63, 2020
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6I4O
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6Z1M
| Structure of an Ancestral glycosidase (family 1) bound to heme | 分子名称: | 1,2-ETHANEDIOL, Ancestral reconstructed glycosidase, GLYCEROL, ... | 著者 | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Oshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | 登録日 | 2020-05-14 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun, 12, 2021
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6J7O
| Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q from Mycobacterium tuberculosis | 分子名称: | MAGNESIUM ION, guanylyltransferase-like toxin | 著者 | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | 登録日 | 2019-01-18 | 公開日 | 2020-05-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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6J7T
| Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant D82A from Mycobacterium tuberculosis | 分子名称: | GLYCEROL, MAGNESIUM ION, guanylyltransferase-like toxin | 著者 | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | 登録日 | 2019-01-18 | 公開日 | 2020-05-13 | 最終更新日 | 2020-05-20 | 実験手法 | X-RAY DIFFRACTION (1.903 Å) | 主引用文献 | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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6J7R
| Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A co-expressed with TakA from Mycobacterium tuberculosis | 分子名称: | MAGNESIUM ION, guanylyltransferase-like toxin | 著者 | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | 登録日 | 2019-01-18 | 公開日 | 2020-05-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | 主引用文献 | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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6WUP
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2ACL
| Liver X-Receptor alpha Ligand Binding Domain with SB313987 | 分子名称: | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE, Oxysterols receptor LXR-alpha, RETINOIC ACID, ... | 著者 | Jaye, M.C, Krawiec, J.A, Campobasso, N, Smallwood, A, Qiu, C, Lu, Q, Kerrigan, J.J. | 登録日 | 2005-07-19 | 公開日 | 2005-09-20 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of substituted maleimides as liver x receptor agonists and determination of a ligand-bound crystal structure. J.Med.Chem., 48, 2005
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6J7N
| Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant D82A co-expressed with TakA from Mycobacterium tuberculosis | 分子名称: | MAGNESIUM ION, guanylyltransferase-like toxin | 著者 | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | 登録日 | 2019-01-18 | 公開日 | 2020-05-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.294 Å) | 主引用文献 | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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6J7S
| Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) wild type protein from Mycobacterium tuberculosis | 分子名称: | MAGNESIUM ION, guanylyltransferase-like toxin | 著者 | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | 登録日 | 2019-01-18 | 公開日 | 2020-05-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | 主引用文献 | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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6Z1H
| Ancestral glycosidase (family 1) | 分子名称: | ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ... | 著者 | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | 登録日 | 2020-05-13 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun, 12, 2021
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1L32
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