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6YE0
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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
7JU2
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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
6SPT
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BU of 6spt by Molmil
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
6ZLZ
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BU of 6zlz by Molmil
Crystal Structure of Merkel Cell Polyomavirus Virus-like Particle
分子名称: CALCIUM ION, Capsid protein VP1
著者Bayer, N.J, Stehle, T, Blaum, B.S.
登録日2020-07-01
公開日2020-08-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献Structure of Merkel Cell Polyomavirus Capsid and Interaction with Its Glycosaminoglycan Attachment Receptor.
J.Virol., 94, 2020
6ZML
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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
6SQQ
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BU of 6sqq by Molmil
Structure of the U1A variant A1-98 Y31H/Q36R/F56W triple mutant in complex with RNA obtained by soaking
分子名称: MAGNESIUM ION, RNA hairpin, U1 small nuclear ribonucleoprotein A
著者Rosenbach, H, Span, I.
登録日2019-09-04
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Expanding crystallization tools for nucleic acid complexes using U1A protein variants.
J.Struct.Biol., 210, 2020
7JOF
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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
6RWZ
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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
7MRL
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BU of 7mrl by Molmil
Structure of HIV-1 matrix domain bound to human tRNALys3
分子名称: HIV-1 matrix domain, MAGNESIUM ION, tRNA Lys3
著者Bou-Nader, C, Zhang, J.
登録日2021-05-07
公開日2021-08-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献HIV-1 matrix-tRNA complex structure reveals basis for host control of Gag localization.
Cell Host Microbe, 29, 2021
6TX2
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BU of 6tx2 by Molmil
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
7M5M
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BU of 7m5m by Molmil
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
7M5L
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BU of 7m5l by Molmil
PCNA bound to peptide mimetic with linker
分子名称: PROPANE, 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
7M5N
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BU of 7m5n by Molmil
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
6U22
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BU of 6u22 by Molmil
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
6ULC
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BU of 6ulc by Molmil
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
6U89
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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)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]-1~{H}-purin-6-one, RNA (5'-R(*(LCC)P*(TLN)P*(LCG)P*UP*AP*CP*A)-3')
著者Szostak, J.W, Zhang, W.
登録日2019-09-04
公開日2020-12-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization.
Nucleic Acids Res., 49, 2021
6ROL
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BU of 6rol by Molmil
Structure of IMP2 KH34 domains
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Insulin-like growth factor 2 mRNA-binding protein 2, ...
著者Bhaskar, V, Biswas, J, Singer, R.H, Chao, J.A.
登録日2019-05-13
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structural basis for RNA selectivity by the IMP family of RNA-binding proteins.
Nat Commun, 10, 2019
6RPG
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BU of 6rpg by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor
分子名称: Programmed cell death 1 ligand 1, ~{N}-[2-[[4-[[3-[3-[[4-[(2-acetamidoethylamino)methyl]-5-[(5-cyanopyridin-3-yl)methoxy]-2-methyl-phenoxy]methyl]-2-methyl-phenyl]-2-methyl-phenyl]methoxy]-2-[(5-cyanopyridin-3-yl)methoxy]-5-methyl-phenyl]methylamino]ethyl]ethanamide
著者Magiera-Mularz, K, Basu, S, Yang, J, Xu, B, Skalniak, L, Musielak, B, Kholodovych, V, Holak, T.A, Hu, L.
登録日2019-05-14
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design, Synthesis, Evaluation, and Structural Studies ofC2-Symmetric Small Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction.
J.Med.Chem., 62, 2019
6U8F
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RNA hairpin, bound with TNA monomer
分子名称: 2-azanyl-9-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$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
6TZ6
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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
6U7Y
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BU of 6u7y by Molmil
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
7LXL
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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
7MQ2
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C9A Streptococcus pneumoniae CstR in the reduced state, space group P21
分子名称: Copper-sensing transcriptional repressor csoR
著者Fakhoury, J.N, Gonzalez-Gutierrez, G, Giedroc, D.P.
登録日2021-05-05
公開日2022-03-09
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Functional asymmetry and chemical reactivity of CsoR family persulfide sensors.
Nucleic Acids Res., 49, 2021
7MQ3
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C9A N55A Streptococcus pneumoniae CstR in the reduced state
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Copper-sensing transcriptional repressor csoR, SODIUM ION
著者Fakhoury, J, 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 (1.4 Å)
主引用文献Functional asymmetry and chemical reactivity of CsoR family persulfide sensors.
Nucleic Acids Res., 49, 2021
7MQ1
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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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