6YE0
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![BU of 6ye0 by Molmil](/molmil-images/mine/6ye0) | E.coli's Putrescine receptor PotF complexed with Putrescine | 分子名称: | (2R)-1-methoxypropan-2-amine, (2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine, (2~{S})-1-(2-methoxyethoxy)propan-2-amine, ... | 著者 | Shanmugaratnam, S, Kroeger, P, Hocker, B. | 登録日 | 2020-03-23 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure, 29, 2021
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7JU2
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![BU of 7ju2 by Molmil](/molmil-images/mine/7ju2) | Crystal structure of the monomeric ETV6 PNT domain | 分子名称: | FORMIC ACID, Transcription factor ETV6 | 著者 | Gerak, C.A.N, Kolesnikov, M, Murphy, M.E.P, McIntosh, L.P. | 登録日 | 2020-08-19 | 公開日 | 2021-01-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85002184 Å) | 主引用文献 | Biophysical characterization of the ETV6 PNT domain polymerization interfaces. J.Biol.Chem., 296, 2021
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6SPT
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![BU of 6spt by Molmil](/molmil-images/mine/6spt) | High resolution crystal structure of N-terminal domain of PEX14 from Trypanosoma brucei in complex with the fist compound with sub-micromolar trypanocidal activity | 分子名称: | 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Napolitano, V, Dawidowski, M, Kalel, V.C, Fino, R, Emmanouilidis, L, Lenhart, D, Ostertag, M, Kaiser, M, Kolonko, M, Schilebs, W, Maser, P, Tetko, I, Hadian, K, Plettenburg, O, Erdmann, R, Sattler, M, Popowicz, G.M, Dubin, G. | 登録日 | 2019-09-02 | 公開日 | 2020-01-01 | 最終更新日 | 2020-02-05 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structure-Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14-PEX5 Protein-Protein Interaction with Trypanocidal Activity. J.Med.Chem., 63, 2020
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6ZLZ
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6ZML
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![BU of 6zml by Molmil](/molmil-images/mine/6zml) | CryoEM Structure of Merkel Cell Polyomavirus Virus-like Particle | 分子名称: | Capsid protein VP1 | 著者 | Bayer, N.J, Januliene, D, Stehle, T, Moeller, A, Blaum, B.S. | 登録日 | 2020-07-03 | 公開日 | 2020-08-05 | 最終更新日 | 2020-10-07 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structure of Merkel Cell Polyomavirus Capsid and Interaction with Its Glycosaminoglycan Attachment Receptor. J.Virol., 94, 2020
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6SQQ
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7JOF
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![BU of 7jof by Molmil](/molmil-images/mine/7jof) | Calcium-bound C2A Domain from Human Dysferlin | 分子名称: | CALCIUM ION, Isoform 6 of Dysferlin | 著者 | Tadayon, R, Wang, Y, Santamaria, L, Mercier, P, Forristal, C, Shaw, G.S. | 登録日 | 2020-08-06 | 公開日 | 2021-06-16 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Calcium binds and rigidifies the dysferlin C2A domain in a tightly coupled manner. Biochem.J., 478, 2021
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6RWZ
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![BU of 6rwz by Molmil](/molmil-images/mine/6rwz) | Structure of Zika virus NS3 helicase in complex with ADP-BeF3 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MANGANESE (II) ION, ... | 著者 | Ge, M, Molt Jr, R.W, Jenkins, H.T, Blackburn, G.M, Jin, Y, Antson, A.A. | 登録日 | 2019-06-07 | 公開日 | 2020-07-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Octahedral Trifluoromagnesate, an Anomalous Metal Fluoride Species, Stabilizes the Transition State in a Biological Motor. Acs Catalysis, 11, 2021
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7MRL
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6TX2
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![BU of 6tx2 by Molmil](/molmil-images/mine/6tx2) | Human HPF1 | 分子名称: | Histone PARylation factor 1, SODIUM ION | 著者 | Suskiewicz, M.J, Ahel, I. | 登録日 | 2020-01-13 | 公開日 | 2020-02-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | HPF1 completes the PARP active site for DNA damage-induced ADP-ribosylation. Nature, 579, 2020
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7M5M
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![BU of 7m5m by Molmil](/molmil-images/mine/7m5m) | PCNA bound to peptide mimetic | 分子名称: | N-BUTANE, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen | 著者 | Vandborg, B.A, Bruning, J.B. | 登録日 | 2021-03-24 | 公開日 | 2021-08-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | A cell permeable bimane-constrained PCNA-interacting peptide. Rsc Chem Biol, 2, 2021
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7M5L
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7M5N
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![BU of 7m5n by Molmil](/molmil-images/mine/7m5n) | PCNA bound to peptide mimetic with linker | 分子名称: | 1,3-dimethylbenzene, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen | 著者 | Vandborg, B.A, Bruning, J.B. | 登録日 | 2021-03-24 | 公開日 | 2021-08-11 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | A cell permeable bimane-constrained PCNA-interacting peptide. Rsc Chem Biol, 2, 2021
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6U22
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![BU of 6u22 by Molmil](/molmil-images/mine/6u22) | Crystal structure of SFTI-triazole inhibitor in complex with beta-trypsin | 分子名称: | 1-methyl-1H-1,2,3-triazole, CALCIUM ION, Cationic trypsin, ... | 著者 | White, A.M, King, G.J, Durek, T, Craik, D.J. | 登録日 | 2019-08-19 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
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6ULC
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![BU of 6ulc by Molmil](/molmil-images/mine/6ulc) | Structure of full-length, fully glycosylated, non-modified HIV-1 gp160 bound to PG16 Fab at a nominal resolution of 4.6 Angstrom | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Pan, J, Chen, B, Harrison, S.C. | 登録日 | 2019-10-07 | 公開日 | 2020-04-29 | 最終更新日 | 2020-09-09 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | Cryo-EM Structure of Full-length HIV-1 Env Bound With the Fab of Antibody PG16. J.Mol.Biol., 432, 2020
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6U89
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![BU of 6u89 by Molmil](/molmil-images/mine/6u89) | RNA duplex, bound with TNA monomer | 分子名称: | 2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one, RNA (5'-R(*(LCC)P*(TLN)P*(LCG)P*UP*AP*CP*A)-3') | 著者 | Szostak, J.W, Zhang, W. | 登録日 | 2019-09-04 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization. Nucleic Acids Res., 49, 2021
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6ROL
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![BU of 6rol by Molmil](/molmil-images/mine/6rol) | Structure of IMP2 KH34 domains | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Insulin-like growth factor 2 mRNA-binding protein 2, ... | 著者 | Bhaskar, V, Biswas, J, Singer, R.H, Chao, J.A. | 登録日 | 2019-05-13 | 公開日 | 2019-10-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The structural basis for RNA selectivity by the IMP family of RNA-binding proteins. Nat Commun, 10, 2019
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6RPG
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![BU of 6rpg by Molmil](/molmil-images/mine/6rpg) | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor | 分子名称: | Programmed cell death 1 ligand 1, ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide | 著者 | Magiera-Mularz, K, Basu, S, Yang, J, Xu, B, Skalniak, L, Musielak, B, Kholodovych, V, Holak, T.A, Hu, L. | 登録日 | 2019-05-14 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Design, Synthesis, Evaluation, and Structural Studies ofC2-Symmetric Small Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction. J.Med.Chem., 62, 2019
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6U8F
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![BU of 6u8f by Molmil](/molmil-images/mine/6u8f) | RNA hairpin, bound with TNA monomer | 分子名称: | 2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one, RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*CP*AP*UP*GP*AP*AP*AP*GP*U)-3'), RNA (5'-R(P*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3') | 著者 | Szostak, J.W, Zhang, W. | 登録日 | 2019-09-04 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization. Nucleic Acids Res., 49, 2021
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6TZ6
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![BU of 6tz6 by Molmil](/molmil-images/mine/6tz6) | Crystal Structure of Candida Albicans Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus) | 分子名称: | 1,2-ETHANEDIOL, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, ... | 著者 | Fox III, D, Lukacs, C.M. | 登録日 | 2019-08-10 | 公開日 | 2019-09-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Harnessing calcineurin-FK506-FKBP12 crystal structures from invasive fungal pathogens to develop antifungal agents. Nat Commun, 10, 2019
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6U7Y
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![BU of 6u7y by Molmil](/molmil-images/mine/6u7y) | RNA hairpin structure containing one TNA nucleotide as template | 分子名称: | CYTIDINE-5'-MONOPHOSPHATE, RNA (5'-R(*CP*UP*AP*UP*GP*CP*CP*UP*GP*CP*UP*G)-3'), RNA (5'-R(*CP*UP*GP*CP*UP*GP*GP*CP*UP*AP*AP*GP*GP*(TG)P*CP*CP*GP*AP*AP*AP*GP*G)-3') | 著者 | Szostak, J.W, Zhang, W. | 登録日 | 2019-09-03 | 公開日 | 2020-12-09 | 最終更新日 | 2024-07-03 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization. Nucleic Acids Res., 49, 2021
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7LXL
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![BU of 7lxl by Molmil](/molmil-images/mine/7lxl) | Crystal structure of human CYP3A4 bound to the testosterone dimer | 分子名称: | 17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sevrioukova, I.F. | 登録日 | 2021-03-04 | 公開日 | 2021-04-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Innovative C 2 -symmetric testosterone and androstenedione dimers: Design, synthesis, biological evaluation on prostate cancer cell lines and binding study to recombinant CYP3A4. Eur.J.Med.Chem., 220, 2021
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7MQ2
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7MQ3
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7MQ1
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![BU of 7mq1 by Molmil](/molmil-images/mine/7mq1) | C9A Streptococcus pneumoniae CstR in the reduced state, space group C2 | 分子名称: | CHLORIDE ION, Copper-sensing transcriptional repressor csoR, GLYCEROL, ... | 著者 | Fakhoury, J.N, Gonzalez-Gutierrez, G, Giedroc, D.P. | 登録日 | 2021-05-05 | 公開日 | 2022-03-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Functional asymmetry and chemical reactivity of CsoR family persulfide sensors. Nucleic Acids Res., 49, 2021
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