6G6R
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![BU of 6g6r by Molmil](/molmil-images/mine/6g6r) | Human Methionine Adenosyltransferase II with SAMe and PPNP | 分子名称: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | 著者 | Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | 登録日 | 2018-04-02 | 公開日 | 2019-04-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
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5HA7
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![BU of 5ha7 by Molmil](/molmil-images/mine/5ha7) | Human Aldose Reductase in Complex with NADP+ and WY14643 in Space Group P212121 | 分子名称: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Sawaya, M.R, Cascio, D, Balendiran, G.K. | 登録日 | 2015-12-30 | 公開日 | 2016-09-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Characterization of WY 14,643 and its Complex with Aldose Reductase. Sci Rep, 6, 2016
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7KEE
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![BU of 7kee by Molmil](/molmil-images/mine/7kee) | RNA polymerase II elongation complex with unnatural base dTPT3, rNaMTP bound to E-site | 分子名称: | (1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | 著者 | Oh, J, Wang, D. | 登録日 | 2020-10-10 | 公開日 | 2021-06-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | 主引用文献 | Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II. Nat.Chem.Biol., 17, 2021
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8T8L
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6G77
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![BU of 6g77 by Molmil](/molmil-images/mine/6g77) | RSK4 N-terminal Kinase Domain in complex with AMP-PNP | 分子名称: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6, ZINC ION | 著者 | Prischi, F, Ali, M.M. | 登録日 | 2018-04-04 | 公開日 | 2019-04-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.499 Å) | 主引用文献 | Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer. Sci Transl Med, 13, 2021
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6BIB
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![BU of 6bib by Molmil](/molmil-images/mine/6bib) | 1.95 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | 分子名称: | 3C-like protease, benzyl [(9S,12S,15S)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | 登録日 | 2017-11-01 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease. Proteins, 87, 2019
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7JVD
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![BU of 7jvd by Molmil](/molmil-images/mine/7jvd) | Fab of 5.6 monoclonal mouse IgG1 co-crystallized with the trisaccharide form of serotype 3 pneumococcal capsular polysaccharide | 分子名称: | 5.6 Fab heavy chain, 5.6 Fab light chain, beta-D-glucopyranose-(1-3)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose | 著者 | Ozdilek, A, Huang, J, Paschall, A.V, Babb, R, Middleton, D.R, Duke, J.A, Pirofski, L, Mousa, J.J, Avci, F.Y. | 登録日 | 2020-08-20 | 公開日 | 2021-06-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A Structural Model for the Ligand Binding of Pneumococcal Serotype 3 Capsular Polysaccharide-Specific Protective Antibodies. Mbio, 12, 2021
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7RAX
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6ZJ2
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![BU of 6zj2 by Molmil](/molmil-images/mine/6zj2) | Structure of RcsB from Salmonella enterica serovar Typhimurium bound to promoter rprA in the presence of phosphomimetic BeF3- | 分子名称: | BERYLLIUM TRIFLUORIDE ION, DNA (5'-D(P*CP*CP*GP*AP*TP*CP*AP*GP*AP*TP*TP*CP*GP*TP*CP*TP*CP*AP*AP*TP*AP*GP*G)-3'), MAGNESIUM ION, ... | 著者 | Huesa, J, Marina, A, Casino, P. | 登録日 | 2020-06-27 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.38 Å) | 主引用文献 | Structure-based analyses of Salmonella RcsB variants unravel new features of the Rcs regulon. Nucleic Acids Res., 49, 2021
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7KCX
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![BU of 7kcx by Molmil](/molmil-images/mine/7kcx) | Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L) in complex with cefoxitin | 分子名称: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ... | 著者 | Alexander, J.A.N, Strynadka, N.C.J. | 登録日 | 2020-10-07 | 公開日 | 2021-06-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus. J.Antimicrob.Chemother., 76, 2021
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6QZR
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![BU of 6qzr by Molmil](/molmil-images/mine/6qzr) | 14-3-3 sigma in complex with FOXO1 pT24 peptide | 分子名称: | 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Forkhead box protein O1, ... | 著者 | Ottmann, C, Wolter, M, Lau, R.A. | 登録日 | 2019-03-12 | 公開日 | 2019-07-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | AMPK and AKT protein kinases hierarchically phosphorylate the N-terminus of the FOXO1 transcription factor, modulating interactions with 14-3-3 proteins. J.Biol.Chem., 294, 2019
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7KCW
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![BU of 7kcw by Molmil](/molmil-images/mine/7kcw) | Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L) in complex with nafcillin | 分子名称: | (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ... | 著者 | Alexander, J.A, Strynadka, N.C. | 登録日 | 2020-10-07 | 公開日 | 2021-06-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus. J.Antimicrob.Chemother., 76, 2021
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7JWI
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7R98
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8T9N
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![BU of 8t9n by Molmil](/molmil-images/mine/8t9n) | Bacillus subtilis RsgI GGG mutant | 分子名称: | Anti-sigma-I factor RsgI | 著者 | Brogan, A.P, Habib, C, Hobbs, S.J, Kranzusch, P.J, Rudner, D.Z. | 登録日 | 2023-06-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Bacterial SEAL domains undergo autoproteolysis and function in regulated intramembrane proteolysis. Proc.Natl.Acad.Sci.USA, 120, 2023
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5HBM
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![BU of 5hbm by Molmil](/molmil-images/mine/5hbm) | Crystal Structure of a Dihydroxycoumarin RNase H Active-Site Inhibitor in Complex with HIV-1 Reverse Transcriptase | 分子名称: | (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MANGANESE (II) ION, ... | 著者 | Kirby, K.A, Sarafianos, S.G. | 登録日 | 2015-12-31 | 公開日 | 2016-02-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.043 Å) | 主引用文献 | Crystal Structure of a Dihydroxycoumarin RNase H Active-Site Inhibitor in Complex with HIV-1 Reverse Transcriptase To Be Published
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6R01
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8SXR
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![BU of 8sxr by Molmil](/molmil-images/mine/8sxr) | Crystal structure of SARS-CoV-2 Mpro with C5a | 分子名称: | 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide | 著者 | Worrall, L.J, Kenward, C, Lee, J, Strynadka, N.C.J. | 登録日 | 2023-05-23 | 公開日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.114 Å) | 主引用文献 | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants. Emerg Microbes Infect, 12, 2023
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7R6H
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6R06
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![BU of 6r06 by Molmil](/molmil-images/mine/6r06) | T. CRUZI FPPS IN COMPLEX WITH (3S,4S)-4-(3,4-dimethylphenoxy)-1-(prop-2-yn-1-yl)piperidin-3-ol | 分子名称: | (3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Wolfgang, J. | 登録日 | 2019-03-12 | 公開日 | 2020-04-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.559 Å) | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019
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6BIR
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![BU of 6bir by Molmil](/molmil-images/mine/6bir) | HLA-DRB1 in complex with citrullinated Vimentin peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ... | 著者 | Ting, Y.T, Scally, S.W, Rossjohn, J. | 登録日 | 2017-11-02 | 公開日 | 2018-01-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The interplay between citrullination and HLA-DRB1 polymorphism in shaping peptide binding hierarchies in rheumatoid arthritis. J. Biol. Chem., 293, 2018
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7KCV
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5VJQ
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![BU of 5vjq by Molmil](/molmil-images/mine/5vjq) | Complex between HyHEL10 Fab fragment heavy chain mutant (I29F, S52T, Y53F) and Pekin duck egg lysozyme isoform I (DEL-I) | 分子名称: | CHLORIDE ION, GLYCEROL, HyHEL10 heavy chain Fab fragment carrying three mutations; I29F, ... | 著者 | Langley, D.B, Christ, D. | 登録日 | 2017-04-19 | 公開日 | 2018-04-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Germinal center antibody mutation trajectories are determined by rapid self/foreign discrimination. Science, 360, 2018
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8SZT
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![BU of 8szt by Molmil](/molmil-images/mine/8szt) | Structure of Kdac1 from Acinetobacter baumannii | 分子名称: | CHLORIDE ION, Histone deacetylase domain-containing protein, POTASSIUM ION, ... | 著者 | Watson, P.R, Christianson, D.W. | 登録日 | 2023-05-30 | 公開日 | 2023-09-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure and Function of Kdac1, a Class II Deacetylase from the Multidrug-Resistant Pathogen Acinetobacter baumannii . Biochemistry, 62, 2023
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7KCY
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![BU of 7kcy by Molmil](/molmil-images/mine/7kcy) | Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) with cefoxitin | 分子名称: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ... | 著者 | Alexander, J.A.N, Strynadka, N.C.J. | 登録日 | 2020-10-07 | 公開日 | 2021-06-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus. J.Antimicrob.Chemother., 76, 2021
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