8APH
 
 | | rotational state 2c of the Trypanosoma brucei mitochondrial ATP synthase dimer | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | 登録日 | 2022-08-09 | | 公開日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
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6T5Q
 | | Human Carbonic anhydrase XII bound by 3,5-diphenylbenzenesulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 12, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2019-10-16 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
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1LSX
 | | Crystal structure of the methylimidazole-bound BjFixL heme domain | | 分子名称: | 1-METHYLIMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL | | 著者 | Hao, B, Isaza, C, Arndt, J, Soltis, M, Chan, M.K. | | 登録日 | 2002-05-20 | | 公開日 | 2002-11-20 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-based mechanism of O2 sensing and ligand discrimination by
the FixL heme domain of Bradyrhizobium japonicum
Biochemistry, 41, 2002
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8APA
 | | rotational state 1a of the Trypanosoma brucei mitochondrial ATP synthase dimer | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | 登録日 | 2022-08-09 | | 公開日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
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8APJ
 | | rotational state 2d of Trypanosoma brucei mitochondrial ATP synthase | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | 登録日 | 2022-08-09 | | 公開日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
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8BA6
 | | Structure of the FK1 domain of the FKBP51 G64S variant in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone | | 分子名称: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Hausch, F. | | 登録日 | 2022-10-11 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Binding pocket stabilization by high-throughput screening of yeast display libraries.
Front Mol Biosci, 9, 2022
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8APE
 | | rotational state 1e of the Trypanosoma brucei mitochondrial ATP synthase dimer | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | 登録日 | 2022-08-09 | | 公開日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
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7RFK
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor Sinefungin | | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | | 著者 | Horton, J.R, Cheng, X, Zhou, J. | | 登録日 | 2021-07-14 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
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8APG
 | | rotational state 2b of the Trypanosoma brucei mitochondrial ATP synthase dimer | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Muehleip, A, Gahura, O, Zikova, A, Amunts, A. | | 登録日 | 2022-08-09 | | 公開日 | 2022-10-26 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | An ancestral interaction module promotes oligomerization in divergent mitochondrial ATP synthases.
Nat Commun, 13, 2022
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7B8U
 | | Notum-Fragment 201 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, Palmitoleoyl-protein carboxylesterase NOTUM, ... | | 著者 | Zhao, Y, Jonees, E.Y. | | 登録日 | 2020-12-13 | | 公開日 | 2022-01-12 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
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9FWB
 | | Cryo-EM structure of the type 1 pilus assembly platform as part of the FimA-bound chaperone-usher pilus complex (Local refinement including FimD, FimC, FimAn and FimAn-1) | | 分子名称: | Chaperone protein FimC, Outer membrane usher protein FimD, Type-1 fimbrial protein, ... | | 著者 | Bachmann, P, Afanasyev, P, Boehringer, D, Glockshuber, R. | | 登録日 | 2024-06-28 | | 公開日 | 2025-06-04 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Cryo-EM structure of the type 1 pilus assembly platform as part of the FimA-bound chaperone-usher pilus complex (Local refinement including FimD, FimC, FimAn and FimAn-1)
To Be Published
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7UER
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7RFN
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC8158 | | 分子名称: | 1,2-ETHANEDIOL, 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, DNA Strand 1, ... | | 著者 | Horton, J.R, Cheng, X, Zhou, J. | | 登録日 | 2021-07-14 | | 公開日 | 2021-09-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
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3L5I
 | | Crystal structure of FnIII domains of human GP130 (Domains 4-6) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-6 receptor subunit beta | | 著者 | Kershaw, N.J, Zhang, J.-G, Garrett, T.P.J, Czabotar, P.E. | | 登録日 | 2009-12-22 | | 公開日 | 2010-05-12 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of the entire ectodomain of gp130: insights into the molecular assembly of the tall cytokine receptor complexes.
J.Biol.Chem., 285, 2010
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7UET
 | | PANK3 complex structure with compound PZ-4140 | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)methanesulfonamide, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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7UE7
 | | PANK3 complex structure with compound PZ-3883 | | 分子名称: | 1,2-ETHANEDIOL, 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile, ACETATE ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-21 | | 公開日 | 2023-03-29 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UEU
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7UE6
 | | PANK3 complex structure with compound PZ-3802 | | 分子名称: | 1,2-ETHANEDIOL, 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile, ACETATE ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-21 | | 公開日 | 2023-04-05 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Development of Brain Penetrant Pyridazine Pantothenate Kinase Activators.
J.Med.Chem., 67, 2024
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7UEX
 | | PANK3 complex structure with compound PZ-4127 | | 分子名称: | 1,2-ETHANEDIOL, 2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate, ACETATE ION, ... | | 著者 | White, S.W, Yun, M, Lee, R.E. | | 登録日 | 2022-03-22 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of hPANK Activators with Improved Pharmacological Properties
To Be Published
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5FWD
 | | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 with CP2 | | 分子名称: | 1,2-ETHANEDIOL, 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine, CALCIUM ION, ... | | 著者 | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | | 登録日 | 2016-02-12 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Studies of Protein Arginine Methyltransferase 2 Reveal its Interactions with Potential Substrates and Inhibitors.
FEBS J., 284, 2017
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9CBH
 | | Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with p-Aminomethyl Phenylthioketone | | 分子名称: | 1-[4-(aminomethyl)phenyl]-2-sulfanylethan-1-one, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | Goulart Stollmaier, J, Christianson, D.W. | | 登録日 | 2024-06-19 | | 公開日 | 2024-09-11 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10.
Acs Med.Chem.Lett., 15, 2024
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6F8J
 | | Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-(1H-pyrazol-1-yl)-N-(pyridin-3-yl)pyridine-3-carboxamide | | 分子名称: | 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B | | 著者 | Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. | | 登録日 | 2017-12-13 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase.
Bioorg.Med.Chem., 27, 2019
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9CBJ
 | | Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with p-Aminopropyl Phenylthioketone | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(3-aminopropyl)phenyl]-2-sulfanylethan-1-one, PHOSPHATE ION, ... | | 著者 | Goulart Stollmaier, J, Christianson, D.W. | | 登録日 | 2024-06-19 | | 公開日 | 2024-09-11 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10.
Acs Med.Chem.Lett., 15, 2024
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8R71
 | | Polysaccharide lyase BtPL33HA (BT4410) Y291A with HAdp4 collected at 1.22 A | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heparinase, ZINC ION, ... | | 著者 | Cartmell, A. | | 登録日 | 2023-11-23 | | 公開日 | 2024-12-04 | | 最終更新日 | 2025-03-05 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Bacterial polysaccharide lyase family 33: Specificity from an evolutionarily conserved binding tunnel.
Proc.Natl.Acad.Sci.USA, 122, 2025
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6HB5
 | | Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-cytidine | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Tyrosine--tRNA ligase, ... | | 著者 | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2018-08-09 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173, 2019
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