9C0C
 
 | | E.coli GroEL apoenzyme | | 分子名称: | 60 kDa chaperonin | | 著者 | Watson, E.R, Lander, G.C. | | 登録日 | 2024-05-25 | | 公開日 | 2024-08-07 | | 最終更新日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (3.41 Å) | | 主引用文献 | Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target.
J.Am.Chem.Soc., 146, 2024
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9F9L
 | | Crystal structure of MUS81-EME1 bound by compound 16. | | 分子名称: | 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | | 著者 | Collie, G.W. | | 登録日 | 2024-05-07 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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9BD3
 | | Structure of the MAGEA4 MHD-RAD18 R6BD Complex | | 分子名称: | E3 ubiquitin-protein ligase RAD18, Melanoma antigen A 4 | | 著者 | Forker, K, Zhou, P. | | 登録日 | 2024-04-10 | | 公開日 | 2024-06-05 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Crystal structure of MAGEA4 MHD-RAD18 R6BD reveals a flipped binding mode compared to AlphaFold2 prediction.
Embo J., 43, 2024
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9B7C
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7APR
 | | Bacillithiol Disulfide Reductase Bdr (YpdA) from Staphylococcus aureus | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, YpdA family putative bacillithiol disulfide reductase Bdr | | 著者 | Hammerstad, M, Hersleth, H.-P. | | 登録日 | 2020-10-19 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | The Crystal Structures of Bacillithiol Disulfide Reductase Bdr (YpdA) Provide Structural and Functional Insight into a New Type of FAD-Containing NADPH-Dependent Oxidoreductase.
Biochemistry, 59, 2020
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9ATI
 | | Crystal structure of MERS 3CL protease in complex with a racemic bicyclo[2.2.1]heptenyl-methyl 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 67, 2024
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9FQJ
 | | E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) | | 分子名称: | 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2024-06-17 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.563 Å) | | 主引用文献 | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
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9J4L
 | | Crystal structure of GH9l Inulin fructotransferases (IFTase) | | 分子名称: | DFA-III-forming inulin fructotransferase | | 著者 | Chen, G, Wang, Z.X, Yang, Y.Q, Li, Y.G, Zhang, T, Ouyang, S.Y, Zhang, L, Chen, Y, Ruan, X.L, Miao, M. | | 登録日 | 2024-08-09 | | 公開日 | 2024-09-04 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Elucidation of the mechanism underlying the sequential catalysis of inulin by fructotransferase.
Int.J.Biol.Macromol., 277, 2024
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9F5S
 | | EVA71 E096A native particle | | 分子名称: | SPHINGOSINE, VP0, VP1, ... | | 著者 | Kingston, N.J, Stonehouse, N.J, Rowlands, D.J, Hogle, J.M, Filman, D.J, Snowden, J.S.S. | | 登録日 | 2024-04-30 | | 公開日 | 2024-09-04 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | Reappraisal of the mechanism of the enterovirus VP0 maturation cleavage based on the structure of a stabilised assembly intermediate
To Be Published
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9BK9
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4OVO
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9BB1
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9FE5
 | | Crystal Structure of NuoEF variant R66G(NuoF) from Aquifex aeolicus bound to NADH under anoxic conditions after 10 min soaking | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, ... | | 著者 | Wohlwend, D, Friedrich, T, Goeppert-Asadollahpour, S. | | 登録日 | 2024-05-17 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Biochim Biophys Acta Bioenerg, 1865, 2024
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9CX6
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7AQO
 | | yeast THO-Sub2 complex dimer | | 分子名称: | BJ4_G0025130.mRNA.1.CDS.1, EM14S01-3B_G0007820.mRNA.1.CDS.1, TEX1 isoform 1, ... | | 著者 | Schuller, S.K, Schuller, J.M, Prabu, R.J, Baumgartner, M, Bonneau, F, basquin, J, Conti, E. | | 登録日 | 2020-10-22 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Structural insights into the nucleic acid remodeling mechanisms of the yeast THO-Sub2 complex.
Elife, 9, 2020
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9CSI
 | | A. baumannii MsbA Bound to Cerastecin Compound 5 | | 分子名称: | 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid], Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION, ... | | 著者 | Klein, D.J, Ishchenko, A, Soisson, S, Cheng, R, Hennig, M. | | 登録日 | 2024-07-23 | | 公開日 | 2024-09-04 | | 最終更新日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 67, 2024
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9EMB
 | | Structure of KefC Asp156Asn variant | | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, Glutathione-regulated potassium-efflux system protein KefC | | 著者 | Gulati, A, Kokane, S, Drew, D. | | 登録日 | 2024-03-07 | | 公開日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | Structure of KefC Asp156Asn variant
To Be Published
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9BK3
 | | Crystal structure of Lactate dehydrogenase in complex with 4-((4-(1-methyl-1H-imidazole-2-carbonyl)phenyl)amino)-4-oxo-2-(4-(trifluoromethyl)phenyl)butanoic acid (R-enantiomer, orthorhombic P form) | | 分子名称: | (2R)-4-[4-(1-methyl-1H-imidazole-2-carbonyl)anilino]-4-oxo-2-[4-(trifluoromethyl)phenyl]butanoic acid, CHLORIDE ION, L-lactate dehydrogenase A chain, ... | | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Sharma, H. | | 登録日 | 2024-04-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Synthesis and biological characterization of an orally bioavailable lactate dehydrogenase-A inhibitor against pancreatic cancer.
Eur.J.Med.Chem., 275, 2024
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9FSV
 | | Yeast 20S proteasome with human beta2i (1-53) in complex with epoxyketone inhibitor 42 | | 分子名称: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | | 登録日 | 2024-06-22 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
to be published
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9ENI
 | | L-amino acid oxidase 4 (HcLAAO4) from the fungus Hebeloma cylindrosporum in complex with L-glutamine | | 分子名称: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GLUTAMINE, L-amino acid oxidase 4, ... | | 著者 | Gilzer, D, Koopmeiners, S, Fischer von Mollard, G, Niemann, H.H. | | 登録日 | 2024-03-13 | | 公開日 | 2024-08-14 | | 最終更新日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure and enzyme engineering of the broad substrate spectrum l-amino acid oxidase 4 from the fungus Hebeloma cylindrosporum.
Febs Lett., 2024
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7ASG
 | | TGFBIp mutant R555W | | 分子名称: | Transforming growth factor-beta-induced protein ig-h3 | | 著者 | Nielsen, N.S, Gadeberg, T.A.F, Andersen, G.R. | | 登録日 | 2020-10-27 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Mutation-induced dimerization of transforming growth factor-beta-induced protein may drive protein aggregation in granular corneal dystrophy.
J.Biol.Chem., 297, 2021
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9BJM
 | | Crystal Structure of Inhibitor 5c in Complex with Prefusion RSV F Glycoprotein | | 分子名称: | 1'-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-1,3-benzimidazol-2-yl]methyl}-1-(methanesulfonyl)spiro[azetidine-3,3'-indol]-2'(1'H)-one, Prefusion RSV F (DS-CAV1),Envelope glycoprotein | | 著者 | Shaffer, P.L, Milligan, C, Abeywickrema, P. | | 登録日 | 2024-04-25 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Spiro-Azetidine Oxindoles as Long-Acting Injectables for Pre-Exposure Prophylaxis against Respiratory Syncytial Virus Infections.
J.Med.Chem., 67, 2024
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9B9N
 | | Crystal structure of FlcD from Pseudomonas aeruginosa bound to iron (II) and substrate | | 分子名称: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (III) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | 著者 | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | 登録日 | 2024-04-02 | | 公開日 | 2024-07-31 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme.
Acs Cent.Sci., 10, 2024
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9BKT
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9JD2
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