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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6WBL
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6WBI
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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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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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4CZV
 | | Structure of the Neurospora crassa Pan2 WD40 domain | | 分子名称: | CHLORIDE ION, GLYCEROL, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN2 | | 著者 | Peter, D, Jonas, S, Izaurralde, E, Weichenrieder, O. | | 登録日 | 2014-04-22 | | 公開日 | 2014-06-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | An Asymmetric Pan3 Dimer Recruits a Single Pan2 Exonuclease to Mediate Mrna Deadenylation and Decay.
Nat.Struct.Mol.Biol., 21, 2014
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2GET
 | | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-I (LT) | | 分子名称: | GLYCEROL, Pantothenate kinase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | | 著者 | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | | 登録日 | 2006-03-20 | | 公開日 | 2006-06-06 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK.
Acta Crystallogr.,Sect.D, 62, 2006
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3LE8
 | | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.70 Angstrom resolution in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid, ETHANOL, ... | | 著者 | Silvestre, H.L, Hung, A.W, Sledz, P, Ciulli, A, Blundell, T.L, Abell, C. | | 登録日 | 2010-01-14 | | 公開日 | 2010-04-14 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Optimization of the interligand overhauser effect for fragment linking: application to inhibitor discovery against Mycobacterium tuberculosis pantothenate synthetase.
J.Am.Chem.Soc., 132, 2010
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6W29
 | | Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC013) | | 分子名称: | 3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, ... | | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | | 登録日 | 2020-03-05 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.14 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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6W2N
 | | Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC009) | | 分子名称: | 3,5-bis(fluoranyl)-~{N}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, ... | | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | | 登録日 | 2020-03-06 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.88 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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6W59
 | | Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC063) | | 分子名称: | 3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy)phenyl]sulfamoyl]phenyl]benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Malic enzyme | | 著者 | Mercaldi, G.F, Fagundes, M, Faria, J.N, Cordeiro, A.T. | | 登録日 | 2020-03-12 | | 公開日 | 2021-03-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 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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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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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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5IZC
 | | Trypanosoma brucei PTR1 in complex with inhibitor F032 | | 分子名称: | ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Pozzi, C, Landi, G, Di Pisa, F, Mangani, S. | | 登録日 | 2016-03-25 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
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5J58
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1856) | | 分子名称: | (3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Barros-Alvarez, X, Hol, W.G.J. | | 登録日 | 2016-04-01 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
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5J59
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor (Chem 1893) | | 分子名称: | 5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine, GLYCEROL, METHIONINE, ... | | 著者 | Barros-Alvarez, X, Hol, W.G.J. | | 登録日 | 2016-04-01 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-guided design of novel Trypanosoma brucei Methionyl-tRNA synthetase inhibitors.
Eur J Med Chem, 124, 2016
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5JDC
 | | Trypanosoma brucei PTR1 in complex with inhibitor NP-13 (Hesperetin) | | 分子名称: | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ... | | 著者 | Mangani, S, Pozzi, C, Di Pisa, F, Landi, G, Dello Iacono, L. | | 登録日 | 2016-04-16 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
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2XTS
 | | Crystal Structure of the Sulfane Dehydrogenase SoxCD from Paracoccus pantotrophus | | 分子名称: | CALCIUM ION, COBALT (II) ION, CYTOCHROME, ... | | 著者 | Zander, U, Faust, A, Klink, B.U, de Sanctis, D, Panjikar, S, Quentmeier, A, Bardischewski, F, Friedrich, C.G, Scheidig, A.J. | | 登録日 | 2010-10-12 | | 公開日 | 2010-12-08 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Structural Basis for the Oxidation of Protein-Bound Sulfur by the Sulfur Cycle Molybdohemo-Enzyme Sulfane Dehydrogenase Soxcd.
J.Biol.Chem., 286, 2011
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6DNZ
 | | Trypanosoma brucei PRMT1 enzyme-prozyme heterotetrameric complex with AdoHcy | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arginine N-methyltransferase, putative, ... | | 著者 | Hashimoto, H, Kafkova, L, Jordan, K, Read, L.K, Debler, E.W. | | 登録日 | 2018-06-08 | | 公開日 | 2019-06-12 | | 最終更新日 | 2020-02-12 | | 実験手法 | X-RAY DIFFRACTION (2.384 Å) | | 主引用文献 | Structural Basis of Protein Arginine Methyltransferase Activation by a Catalytically Dead Homolog (Prozyme).
J.Mol.Biol., 432, 2020
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7YYA
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6GD4
 | | Trypanosoma brucei PTR1 in complex with inhibitor 4c (F188) | | 分子名称: | 2-amino-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... | | 著者 | Landi, G, Pozzi, C, Mangani, S. | | 登録日 | 2018-04-21 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.42 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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6GDP
 | | Trypanosoma brucei PTR1 in complex with inhibitor 4l (F162) | | 分子名称: | 2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... | | 著者 | Pozzi, C, Landi, G, Mangani, S. | | 登録日 | 2018-04-24 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.52 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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