7YYA
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6GCK
| Trypanosoma brucei PTR1 in complex with inhibitor 1e (F206) | 分子名称: | 4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-18 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6HNC
| Trypanosoma brucei PTR1 in complex with cycloguanil | 分子名称: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Landi, G, Pozzi, C, Mangani, S. | 登録日 | 2018-09-14 | 公開日 | 2019-05-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural Insights into the Development of Cycloguanil Derivatives asTrypanosoma bruceiPteridine-Reductase-1 Inhibitors. Acs Infect Dis., 5, 2019
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6GXG
| Tryparedoxin from Trypanosoma brucei in complex with CFT | 分子名称: | 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one, GLYCEROL, Tryparedoxin | 著者 | Bader, N, Wagner, A, Hellmich, U, Schindelin, H. | 登録日 | 2018-06-27 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes. Angew. Chem. Int. Ed. Engl., 58, 2019
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6HNR
| Trypanosoma brucei PTR1 in complex with the triazine inhibitor 1 (F217) | 分子名称: | 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ... | 著者 | Landi, G, Pozzi, C, Mangani, S. | 登録日 | 2018-09-17 | 公開日 | 2019-05-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structural Insights into the Development of Cycloguanil Derivatives asTrypanosoma bruceiPteridine-Reductase-1 Inhibitors. Acs Infect Dis., 5, 2019
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1LKA
| Porcine Pancreatic Elastase/Ca-Complex | 分子名称: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | 著者 | Weiss, M.S, Panjikar, S, Nowak, E, Tucker, P.A. | 登録日 | 2002-04-24 | 公開日 | 2002-08-28 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Metal binding to porcine pancreatic elastase: calcium or not calcium. Acta Crystallogr.,Sect.D, 58, 2002
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5QEC
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000270a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(benzyloxy)benzoic acid, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.673 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5QG5
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA000811b | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-hydroxybenzonitrile, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5ZFI
| Mouse kallikrein 7 in complex with 6-benzyl-1,4-diazepan-7-one derivative | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide, Kallikrein-7 | 著者 | Sugawara, H. | 登録日 | 2018-03-06 | 公開日 | 2018-06-27 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones. Bioorg. Med. Chem., 26, 2018
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7GSC
| PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000729a | 分子名称: | (azepan-1-yl)(2,6-difluorophenyl)methanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Ginn, H.M, Keedy, D.A. | 登録日 | 2024-01-03 | 公開日 | 2024-01-24 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
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4MUJ
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4MUG
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4MUN
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6AEF
| PapA2 acyl transferase | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Trehalose-2-sulfate acyltransferase PapA2, ... | 著者 | Chaudhary, S, Rao, V, Panchal, V. | 登録日 | 2018-08-04 | 公開日 | 2019-06-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | A novel mutation alters the stability of PapA2 resulting in the complete abrogation of sulfolipids in clinical mycobacterial strains. Faseb Bioadv, 1, 2019
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1LKB
| Porcine Pancreatic Elastase/Na-Complex | 分子名称: | CHLORIDE ION, Elastase 1, SODIUM ION, ... | 著者 | Weiss, M.S, Panjikar, S, Nowak, E, Tucker, P.A. | 登録日 | 2002-04-24 | 公開日 | 2002-08-28 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Metal binding to porcine pancreatic elastase: calcium or not calcium. Acta Crystallogr.,Sect.D, 58, 2002
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6OEY
| Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-5-{5-[1-(Pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | 登録日 | 2019-03-28 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry, 25, 2019
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6OEX
| Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor 3-(2-{1-[2-(Piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3- thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine | 分子名称: | 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | 登録日 | 2019-03-28 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry, 25, 2019
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6OEZ
| Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-N-(Cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrro-lidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine, ... | 著者 | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | 登録日 | 2019-03-28 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry, 25, 2019
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8GTR
| CryoEM structure of human Pannexin isoform 3 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATIDYLETHANOLAMINE, Pannexin-3 | 著者 | Hussain, N, Penmatsa, A. | 登録日 | 2022-09-08 | 公開日 | 2024-02-28 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.91 Å) | 主引用文献 | Cryo-EM structures of pannexin 1 and 3 reveal differences among pannexin isoforms. Nat Commun, 15, 2024
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6WBN
| Cryo-EM structure of human Pannexin 1 channel N255A mutant, gap junction | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL, DIACYL GLYCEROL, ... | 著者 | Lu, W, Du, J, Ruan, Z. | 登録日 | 2020-03-26 | 公開日 | 2020-06-03 | 最終更新日 | 2021-06-30 | 実験手法 | ELECTRON MICROSCOPY (2.83 Å) | 主引用文献 | Structures of human pannexin 1 reveal ion pathways and mechanism of gating. Nature, 584, 2020
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6WBM
| Cryo-EM structure of human Pannexin 1 channel N255A mutant | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL, DIACYL GLYCEROL, ... | 著者 | Lu, W, Du, J, Ruan, Z. | 登録日 | 2020-03-26 | 公開日 | 2020-06-03 | 最終更新日 | 2021-06-30 | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | 主引用文献 | Structures of human pannexin 1 reveal ion pathways and mechanism of gating. Nature, 584, 2020
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6WBI
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6WBG
| Cryo-EM structure of human Pannexin 1 channel with its C-terminal tail cleaved by caspase-7 | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | 著者 | Lu, W, Du, J, Ruan, Z. | 登録日 | 2020-03-26 | 公開日 | 2020-06-03 | 最終更新日 | 2021-06-30 | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | 主引用文献 | Structures of human pannexin 1 reveal ion pathways and mechanism of gating. Nature, 584, 2020
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6WBF
| Cryo-EM structure of wild type human Pannexin 1 channel | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | 著者 | Lu, W, Du, J, Ruan, Z. | 登録日 | 2020-03-26 | 公開日 | 2020-06-03 | 最終更新日 | 2021-06-30 | 実験手法 | ELECTRON MICROSCOPY (2.83 Å) | 主引用文献 | Structures of human pannexin 1 reveal ion pathways and mechanism of gating. Nature, 584, 2020
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6WBL
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