7QRI
| Regulatory domain dimer of tryptophan hydroxylase 2 in complex with L-Phe | 分子名称: | PHENYLALANINE, Tryptophan 5-hydroxylase 2 | 著者 | Vedel, I.M, Prestel, A, Harris, P, Peters, G.H.J, Kragelund, B.B. | 登録日 | 2022-01-11 | 公開日 | 2023-05-03 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural characterization of human tryptophan hydroxylase 2 reveals that L-Phe is superior to L-Trp as the regulatory domain ligand. Structure, 31, 2023
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4YPS
| (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | 分子名称: | 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION | 著者 | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | 登録日 | 2015-03-13 | 公開日 | 2015-06-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1012 Å) | 主引用文献 | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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7B6D
| Drosophila melanogaster TRAPPCore (C1, C2, C2L, C3a/b, C4, C5, C6 subunits) | 分子名称: | GEO08327p1, Probable trafficking protein particle complex subunit 2, TRAPPC2L, ... | 著者 | Galindo, A, Munro, S, Planelles-Herrero, V.J, Degliesposti, G. | 登録日 | 2020-12-07 | 公開日 | 2021-06-09 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (4.27 Å) | 主引用文献 | Cryo-EM structure of metazoan TRAPPIII, the multi-subunit complex that activates the GTPase Rab1. Embo J., 40, 2021
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5N39
| cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrrolidine | 分子名称: | (2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | Siefker, C, Heine, A, Klebe, G. | 登録日 | 2017-02-08 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | A crystallographic fragment study with cAMP-dependent protein kinase A To Be Published
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6X4X
| B24Y DKP insulin | 分子名称: | Insulin, Insulin chain A | 著者 | Weiss, M.A, Yang, Y. | 登録日 | 2020-05-24 | 公開日 | 2020-08-05 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Evolution of insulin at the edge of foldability and its medical implications. Proc.Natl.Acad.Sci.USA, 117, 2020
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5N3K
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5N4X
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7B70
| TRAPPCore plus C8 (355-596) and C11 (1-718) from MiniTRAPPIII | 分子名称: | FI18195p1, GEO08327p1, Probable trafficking protein particle complex subunit 2, ... | 著者 | Galindo, A, Munro, S, Planelles-Herrero, V.J. | 登録日 | 2020-12-09 | 公開日 | 2021-06-09 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Cryo-EM structure of metazoan TRAPPIII, the multi-subunit complex that activates the GTPase Rab1. Embo J., 40, 2021
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6T6K
| Y201W mutant of the orange carotenoid protein from Synechocystis at pH 6.5 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCINE, ... | 著者 | Sluchanko, N.N, Gushchin, I, Botnarevskiy, V.S, Slonimskiy, Y.B, Remeeva, A, Kovalev, K, Stepanov, A.V, Gordeliy, V, Maksimov, E.G. | 登録日 | 2019-10-18 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Role of hydrogen bond alternation and charge transfer states in photoactivation of the Orange Carotenoid Protein. Commun Biol, 4, 2021
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5N5U
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8UUW
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145 | 分子名称: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-02 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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5N3A
| cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-amine | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, DIMETHYL SULFOXIDE, ... | 著者 | Siefker, C, Heine, A, Klebe, G. | 登録日 | 2017-02-08 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.404 Å) | 主引用文献 | A crystallographic fragment study with cAMP-dependent protein kinase A To Be Published
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5N3I
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7ZUD
| Crystal structure of HIV-1 capsid IP6-CPSF6 complex | 分子名称: | Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6, INOSITOL HEXAKISPHOSPHATE | 著者 | Nicastro, G, Taylor, I.A. | 登録日 | 2022-05-12 | 公開日 | 2022-07-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | CP-MAS and Solution NMR Studies of Allosteric Communication in CA-assemblies of HIV-1. J.Mol.Biol., 434, 2022
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8D3H
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7AKR
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5ISJ
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6W49
| Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC010) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, Malic enzyme, ... | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | 登録日 | 2020-03-10 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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6W57
| Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC069) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Malic enzyme, ~{N}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | 登録日 | 2020-03-12 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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7AKS
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6X9S
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5N4V
| Crystal structure of human Pim-1 kinase in complex with a consensuspeptide and fragment like molekule 2-cyclopropyl-4,5-dimethylthieno[5,4-d]pyrimidine-6-carboxylic acid | 分子名称: | 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid, GLYCEROL, Pimtide, ... | 著者 | Siefker, C, Heine, A, Klebe, G. | 登録日 | 2017-02-11 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A crystallographic fragment study with human Pim-1 kinase to be published
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6W53
| Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC070) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Malic enzyme, N-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | 登録日 | 2020-03-12 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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6W56
| Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC062) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Malic enzyme, ~{N}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | 登録日 | 2020-03-12 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Trypanosoma cruzi Malic Enzyme Is the Target for Sulfonamide Hits from the GSK Chagas Box. Acs Infect Dis., 7, 2021
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4YTB
| Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) in complex with dipeptide Asp-Gln. | 分子名称: | ASPARTIC ACID, AZIDE ION, CHLORIDE ION, ... | 著者 | Goulas, T, Mizgalska, D, Garcia-Ferrer, I, Kantyka, T, Guevara, T, Szmigielski, B, Sroka, A, Millan, C, Uson, I, Veillard, F, Potempa, B, Mydel, P, Sola, M, Potempa, J, Gomis-Ruth, F.X. | 登録日 | 2015-03-17 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase. Sci Rep, 5, 2015
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