6YPZ
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![BU of 6ypz by Molmil](/molmil-images/mine/6ypz) | Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ... | 著者 | Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. | 登録日 | 2020-04-16 | 公開日 | 2020-09-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway. Acs Chem.Biol., 15, 2020
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6BIX
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![BU of 6bix by Molmil](/molmil-images/mine/6bix) | HLA-DRB1 in complex with citrullinated LL37 peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II DR-beta (HLA-DR B), HLA class II histocompatibility antigen, ... | 著者 | Ting, Y.T, Scally, S.W, Rossjohn, J. | 登録日 | 2017-11-03 | 公開日 | 2018-01-17 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 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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8RQH
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![BU of 8rqh by Molmil](/molmil-images/mine/8rqh) | Crystal Structure of the flavoprotein monooxygenase TrlE from Streptomyces cyaneofuscatus Soc7 | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | 著者 | Sowa, S.T, Hoeing, L.S, Jakob, R.P, Maier, T, Teufel, R. | 登録日 | 2024-01-18 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Biosynthesis of the bacterial antibiotic 3,7-dihydroxytropolone through enzymatic salvaging of catabolic shunt products. Chem Sci, 15, 2024
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7KVW
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![BU of 7kvw by Molmil](/molmil-images/mine/7kvw) | Non-ribosomal didomain (holo-PCP-C) acceptor bound state | 分子名称: | 4'-PHOSPHOPANTETHEINE, PCP-C didomain | 著者 | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | 登録日 | 2020-11-29 | 公開日 | 2021-03-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
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8A8S
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![BU of 8a8s by Molmil](/molmil-images/mine/8a8s) | |
8SSM
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![BU of 8ssm by Molmil](/molmil-images/mine/8ssm) | |
6YQG
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![BU of 6yqg by Molmil](/molmil-images/mine/6yqg) | Crystal structure of native Phycocyanin in spacegroup P63 at 1.45 Angstroms. | 分子名称: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN, ... | 著者 | Feiler, C.G, Falke, S, Sarrou, I. | 登録日 | 2020-04-17 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening. Acta Crystallogr D Struct Biol, 77, 2021
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6FAP
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![BU of 6fap by Molmil](/molmil-images/mine/6fap) | Crystal structure of human BAZ2A PHD zinc finger in complex with Fr23 | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, PHOSPHATE ION, ... | 著者 | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | 登録日 | 2017-12-16 | 公開日 | 2018-03-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach. ACS Chem. Biol., 13, 2018
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6F94
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![BU of 6f94 by Molmil](/molmil-images/mine/6f94) | Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(3-methyphenyl)amino]-N-(3-methyphenyl)pyridine-3-carboxamide | 分子名称: | 6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]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 | 2017-12-14 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.35 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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7KW2
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![BU of 7kw2 by Molmil](/molmil-images/mine/7kw2) | Non-ribosomal didomain (holo-PCP-C) acceptor bound state, R2577G | 分子名称: | 4'-PHOSPHOPANTETHEINE, PCP-C didomain | 著者 | Izore, T, Ho, Y.T.C, Kaczmarski, J.A, Gavriilidou, A, Chow, K.H, Steer, D, Goode, R.J.A, Schittenhelm, R.B, Tailhades, J, Tosin, M, Challis, G.L, Krenske, E.H, Ziemert, N, Jackson, C.J, Cryle, M.J. | 登録日 | 2020-11-29 | 公開日 | 2021-03-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun, 12, 2021
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5VAC
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![BU of 5vac by Molmil](/molmil-images/mine/5vac) | Crystal Structure of ATXR5 SET domain in complex with K36me3 histone H3 peptide | 分子名称: | DIMETHYL SULFOXIDE, Histone H3.2, Probable Histone-lysine N-methyltransferase ATXR5, ... | 著者 | Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.F. | 登録日 | 2017-03-24 | 公開日 | 2017-04-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.949 Å) | 主引用文献 | Molecular basis for the methylation specificity of ATXR5 for histone H3. Nucleic Acids Res., 45, 2017
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5USP
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6F9H
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![BU of 6f9h by Molmil](/molmil-images/mine/6f9h) | Crystal structure of Barley Beta-Amylase complexed with 4-S-alpha-D-glucopyranosyl-(1,4-dideoxy-4-thio-nojirimycin) | 分子名称: | 1,4-dideoxy-4-thio-nojirimycin, Beta-amylase, CHLORIDE ION, ... | 著者 | Moncayo, M.A, Rodrigues, L.L, Stevenson, C.E.M, Ruzanski, C, Rejzek, M, Lawson, D.M, Angulo, J, Field, R.A. | 登録日 | 2017-12-14 | 公開日 | 2019-01-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Synthesis, biological and structural analysis of prospective glycosyl-iminosugar prodrugs: impact on germination To be published
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6J3M
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![BU of 6j3m by Molmil](/molmil-images/mine/6j3m) | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Pyrophosphate at 2.30A resolution | 分子名称: | CHLORIDE ION, PYROPHOSPHATE 2-, Phosphopantetheine adenylyltransferase, ... | 著者 | Singh, P.K, Gupta, A, Sharma, S, Singh, T.P. | 登録日 | 2019-01-04 | 公開日 | 2019-01-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Pyrophosphate at 2.30A resolution To Be Published
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6YS9
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![BU of 6ys9 by Molmil](/molmil-images/mine/6ys9) | |
6CBD
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6Y62
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![BU of 6y62 by Molmil](/molmil-images/mine/6y62) | Crystal structure of the envelope glycoprotein complex of Maporal virus in a prefusion conformation | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein,Envelope polyprotein, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Serris, A, Rey, F.A, Guardado-Calvo, P. | 登録日 | 2020-02-26 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism. Cell, 183, 2020
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6JJ3
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![BU of 6jj3 by Molmil](/molmil-images/mine/6jj3) | BRD4 in complex with 138A | 分子名称: | 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4 | 著者 | Xu, J, Chen, Y, Jiang, F, Zhu, J. | 登録日 | 2019-02-25 | 公開日 | 2020-01-22 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.718 Å) | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis. J.Med.Chem., 62, 2019
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6YQ6
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![BU of 6yq6 by Molmil](/molmil-images/mine/6yq6) | Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ... | 著者 | Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. | 登録日 | 2020-04-16 | 公開日 | 2020-09-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway. Acs Chem.Biol., 15, 2020
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5GGI
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![BU of 5ggi by Molmil](/molmil-images/mine/5ggi) | Crystal structure of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with Mn, UDP and Mannosyl-peptide | 分子名称: | MANGANESE (II) ION, PHOSPHATE ION, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1, ... | 著者 | Kuwabara, N, Senda, T, Kato, R. | 登録日 | 2016-06-16 | 公開日 | 2016-08-10 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan Proc.Natl.Acad.Sci.USA, 113, 2016
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6JJ8
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![BU of 6jj8 by Molmil](/molmil-images/mine/6jj8) | Crystal structure of OsHXK6-ATP-Mg2+ complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | He, C, Wei, P, Chen, J, Wang, H, Wan, Y, Zhou, J, Zhu, Y, Huang, W, Yin, L. | 登録日 | 2019-02-25 | 公開日 | 2019-07-03 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal structure of OsHXK6-ATP-Mg2+ complex To Be Published
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6CQJ
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![BU of 6cqj by Molmil](/molmil-images/mine/6cqj) | Crystal structure of DR1 presenting the RQ13 peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | 著者 | Farenc, C, Gras, S, Rossjohn, J. | 登録日 | 2018-03-15 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | CD4+T cell-mediated HLA class II cross-restriction in HIV controllers. Sci Immunol, 3, 2018
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7KWU
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![BU of 7kwu by Molmil](/molmil-images/mine/7kwu) | Crystal Structure of HIV-1 RT in Complex with 16c (K07-15) | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ... | 著者 | Ruiz, F.X, Arnold, E. | 登録日 | 2020-12-02 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | 2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies. J.Med.Chem., 64, 2021
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6YRC
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![BU of 6yrc by Molmil](/molmil-images/mine/6yrc) | Spectroscopically-validated structure of DtpB from Streptomyces lividans in the ferric state | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, GLYCEROL, MAGNESIUM ION, ... | 著者 | Lucic, M, Dworkowski, F.S.N, Worrall, J.A.R, Hough, M.A. | 登録日 | 2020-04-20 | 公開日 | 2021-01-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Serial Femtosecond Zero Dose Crystallography Captures a Water-Free Distal Heme Site in a Dye-Decolorising Peroxidase to Reveal a Catalytic Role for an Arginine in Fe IV =O Formation. Angew.Chem.Int.Ed.Engl., 59, 2020
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6FAM
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![BU of 6fam by Molmil](/molmil-images/mine/6fam) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-2-aminodeoxymannojirimycin | 分子名称: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose, ... | 著者 | Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J. | 登録日 | 2017-12-15 | 公開日 | 2018-03-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases. Chemistry, 24, 2018
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