8PZY
 
 | | Intracellular leucine aminopeptidase of Pseudomonas aeruginosa PA14 - hexameric assembly with manganese bound | | 分子名称: | 1,2-ETHANEDIOL, 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol, AMMONIUM ION, ... | | 著者 | Simpson, M.C, Czekster, C.M, Harding, C.J. | | 登録日 | 2023-07-27 | | 公開日 | 2023-11-15 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Unveiling the Catalytic Mechanism of a Processive Metalloaminopeptidase.
Biochemistry, 62, 2023
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8POW
 | | Crystal Structure of the C19G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the air-oxidized state at 1.61 A Resolution. | | 分子名称: | CHLORIDE ION, FE3-S4 CLUSTER, Fe4S4, ... | | 著者 | Kalms, J, Schmidt, A, Scheerer, P. | | 登録日 | 2023-07-05 | | 公開日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Stepwise conversion of the Cys 6 [4Fe-3S] to a Cys 4 [4Fe-4S] cluster and its impact on the oxygen tolerance of [NiFe]-hydrogenase.
Chem Sci, 14, 2023
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7O0L
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ADO_AC_093) | | 分子名称: | 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | 著者 | Bedi, R.K, Dolbois, A, Caflisch, A. | | 登録日 | 2021-03-26 | | 公開日 | 2021-09-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors.
J.Med.Chem., 64, 2021
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7O20
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8PVG
 | | Structure of E. coli glutamine synthetase determined by cryoEM at 100 keV | | 分子名称: | Glutamine synthetase | | 著者 | McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J. | | 登録日 | 2023-07-17 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-06 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structure determination by cryoEM at 100 keV.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8PN7
 | | Engineered glycolyl-CoA carboxylase (G20R variant) with bound CoA | | 分子名称: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ... | | 著者 | Zarzycki, J, Marchal, D.G, Schulz, L, Prinz, S, Erb, T.J. | | 登録日 | 2023-06-30 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-27 | | 実験手法 | ELECTRON MICROSCOPY (2.03 Å) | | 主引用文献 | Machine Learning-Supported Enzyme Engineering toward Improved CO 2 -Fixation of Glycolyl-CoA Carboxylase.
Acs Synth Biol, 12, 2023
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8PVM
 | | formaldehyde-inhibited [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant C299D | | 分子名称: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FORMYL GROUP, ... | | 著者 | Duan, J, Hofmann, E, Happe, T. | | 登録日 | 2023-07-18 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Insights into the Molecular Mechanism of Formaldehyde Inhibition of [FeFe]-Hydrogenases.
J.Am.Chem.Soc., 145, 2023
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8PSL
 | | Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the ketosynthase domain (FASx sample) | | 分子名称: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta | | 著者 | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | | 登録日 | 2023-07-13 | | 公開日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PON
 | | TEAD2 in complex with an inhibitor | | 分子名称: | 4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | | 著者 | Guichou, J.F. | | 登録日 | 2023-07-05 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
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8PRV
 | | Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosreductase domain (FASamn sample) | | 分子名称: | COENZYME A, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | | 著者 | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | | 登録日 | 2023-07-12 | | 公開日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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4Y22
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1BJJ
 | | AGKISTRODOTOXIN, A PHOSPHOLIPASE A2-TYPE PRESYNAPTIC NEUROTOXIN FROM AGKISTRODON HALYS PALLAS | | 分子名称: | AGKISTRODOTOXIN, CALCIUM ION | | 著者 | Tang, L, Zhou, Y, Lin, Z. | | 登録日 | 1998-06-25 | | 公開日 | 1999-07-29 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of agkistrodotoxin in an orthorhombic crystal form with six molecules per asymmetric unit.
Acta Crystallogr.,Sect.D, 55, 1999
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8PFB
 | | Structure of a heteropolymeric type 4 pilus from a monoderm bacterium | | 分子名称: | Type IV pilin PilE1 | | 著者 | Anger, R, Pieulle, L, Shahin, M, Valette, O, Le Guenno, H, Kosta, A, Pelicic, V, Fronzes, R. | | 登録日 | 2023-06-15 | | 公開日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (3.67 Å) | | 主引用文献 | Structure of a heteropolymeric type 4 pilus from a monoderm bacterium.
Nat Commun, 14, 2023
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8PS2
 | | Asymmetric unit of the yeast fatty acid synthase with ACP at the enoyl reductase domain (FASam sample) | | 分子名称: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ... | | 著者 | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | | 登録日 | 2023-07-13 | | 公開日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8POM
 | | TEAD2 in complex with an inhibitor | | 分子名称: | 2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid, GLYCEROL, Transcriptional enhancer factor TEF-4 | | 著者 | Guichou, J.F. | | 登録日 | 2023-07-05 | | 公開日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings.
Bioorg.Med.Chem.Lett., 95, 2023
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8PM6
 | | Human bile salt export pump (BSEP) in complex with inhibitor GBM in nanodiscs | | 分子名称: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Bile salt export pump, CHOLESTEROL | | 著者 | Liu, H, Irobalieva, R.N, Kowal, J, Ni, D, Nosol, K, Bang-Sorensen, R, Lancien, L, Stahlberg, H, Stieger, B, Locher, K.P. | | 登録日 | 2023-06-28 | | 公開日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (3.22 Å) | | 主引用文献 | Structural basis of bile salt extrusion and small-molecule inhibition in human BSEP.
Nat Commun, 14, 2023
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8PSK
 | | Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASx sample) | | 分子名称: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta | | 著者 | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | | 登録日 | 2023-07-13 | | 公開日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PSA
 | | Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the ketosynthase domain (FASam sample) | | 分子名称: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta | | 著者 | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | | 登録日 | 2023-07-13 | | 公開日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8Q0U
 | | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | | 分子名称: | Polyketide synthase Pks13, SULFATE ION, ~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide | | 著者 | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | | 登録日 | 2023-07-29 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
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8PSJ
 | | Asymmetric unit of the yeast fatty acid synthase in the semi rotated state with ACP at the acetyl transferase domain (FASx sample) | | 分子名称: | 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | | 著者 | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | | 登録日 | 2023-07-13 | | 公開日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PSP
 | | Asymmetric unit of the yeast fatty acid synthase in rotated state with ACP at the acetyl transferase domain (FASx sample) | | 分子名称: | 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | | 著者 | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | | 登録日 | 2023-07-13 | | 公開日 | 2023-11-22 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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1BSX
 | | STRUCTURE AND SPECIFICITY OF NUCLEAR RECEPTOR-COACTIVATOR INTERACTIONS | | 分子名称: | 3,5,3'TRIIODOTHYRONINE, PROTEIN (GRIP1), PROTEIN (THYROID HORMONE RECEPTOR BETA) | | 著者 | Wagner, R.L, Darimont, B.D, Apriletti, J.W, Stallcup, M.R, Kushner, P.J, Baxter, J.D, Fletterick, R.J, Yamamoto, K.R. | | 登録日 | 1998-08-31 | | 公開日 | 1999-08-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | | 主引用文献 | Structure and specificity of nuclear receptor-coactivator interactions.
Genes Dev., 12, 1998
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4Y1Z
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8PXP
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8Q13
 | | Endothiapepsin in complex with ligand (3R,5R)-5-(3-(2-amino-4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-168) | | 分子名称: | (3~{R},5~{R})-5-[3-[2-azanyl-4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ... | | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | | 登録日 | 2023-07-29 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits
To Be Published
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