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9S5G
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BU of 9s5g by Molmil
Temporizin-1 NMR analysis
分子名称: Temporizin-1
著者Falcigno, L, D'Auria, G, Galdiero, S, Falanga, A, Bellavita, R.
登録日2025-07-29
公開日2025-09-17
最終更新日2025-10-08
実験手法SOLUTION NMR
主引用文献Temporizin-1 Meets the Membranes: Probing Membrane Inser-Tion and Disruption Mechanisms.
Antibiotics, 14, 2025
7DD4
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BU of 7dd4 by Molmil
Solution structure of an RNA derived from the joint region of the TAR and PolyA stems of HIV-1 genomic RNA
分子名称: RNA (36-MER)
著者Obayashi, C.M, Shinohara, Y, Masuda, T, Kawai, G.
登録日2020-10-27
公開日2021-06-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Influence of the 5'-terminal sequences on the 5'-UTR structure of HIV-1 genomic RNA.
Sci Rep, 11, 2021
6W1D
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BU of 6w1d by Molmil
Structure of human mitochondrial complex Nfs1-ISCU2 (WT)-ISD11 with E.coli ACP1 at 1.8 A resolution (NIAU)2
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ...
著者Boniecki, M.T, Cygler, M.
登録日2020-03-04
公開日2020-03-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献The essential function of ISCU2 and its conserved N-terminus in Fe/S cluster biogenesis
To Be Published
8SW6
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BU of 8sw6 by Molmil
Protein Phosphatase 1 in complex with PP1-specific Phosphatase targeting peptide (PhosTAP) version 3
分子名称: CHLORIDE ION, MANGANESE (II) ION, PP1-specific Phosphatase-Targeting Peptide version 3, ...
著者Choy, M.S, Peti, W, Page, R.
登録日2023-05-17
公開日2024-05-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A protein phosphatase 1 specific phos phatase ta rgeting p eptide (PhosTAP) to identify the PP1 phosphatome.
Proc.Natl.Acad.Sci.USA, 121, 2024
6W0Q
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BU of 6w0q by Molmil
APE1 endonuclease product complex D148E
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ...
著者Freudenthal, B.D, Whitaker, A.M.
登録日2020-03-02
公開日2020-06-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
7OKP
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BU of 7okp by Molmil
Crystal structure of mouse CARM1 in complex with histone H3_13-22 K18 acetylated
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, Histone H3.3, Histone-arginine methyltransferase CARM1, ...
著者Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J.
登録日2021-05-18
公開日2021-10-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Studies Provide New Insights into the Role of Lysine Acetylation on Substrate Recognition by CARM1 and Inform the Design of Potent Peptidomimetic Inhibitors.
Chembiochem, 22, 2021
7OS4
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BU of 7os4 by Molmil
Crystal structure of mouse CARM1 in complex with histone H3_13-31 K18
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, Histone H3.1, Histone-arginine methyltransferase CARM1
著者Marechal, N, Cura, V, Troffer-Charlier, N, Bonnefond, L, Cavarelli, J.
登録日2021-06-07
公開日2021-10-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural Studies Provide New Insights into the Role of Lysine Acetylation on Substrate Recognition by CARM1 and Inform the Design of Potent Peptidomimetic Inhibitors.
Chembiochem, 22, 2021
7MLX
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BU of 7mlx by Molmil
SARS-CoV-2 programmed -1 frameshifting element three stem H-type pseudoknot
分子名称: BL3-6 Fab Heavy Chain, BL3-6 Fab Light Chain, RNA (65-MER)
著者Roman, C, Lewicka, A.
登録日2021-04-29
公開日2021-08-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The SARS-CoV-2 Programmed -1 Ribosomal Frameshifting Element Crystal Structure Solved to 2.09 angstrom Using Chaperone-Assisted RNA Crystallography.
Acs Chem.Biol., 16, 2021
8F11
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BU of 8f11 by Molmil
T4 lysozyme with a 2,6-diazaadamantane nitroxide (DZD) spin label
分子名称: 1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Wilson, M.A, Madzelan, P, Rajca, A, Stein, R, Yang, Z.
登録日2022-11-04
公開日2023-02-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Cucurbit[7]uril Enhances Distance Measurements of Spin-Labeled Proteins.
J.Am.Chem.Soc., 145, 2023
6W0Y
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BU of 6w0y by Molmil
Structure of KHK in complex with compound 6 (2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid)
分子名称: 2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid, Ketohexokinase, SULFATE ION
著者Jasti, J.
登録日2020-03-03
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
7OCT
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BU of 7oct by Molmil
NADPH bound to the dehydrogenase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-N374A from Acinetobacter baumannii
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
著者Tam, H.K, Mueller, V, Pos, K.M.
登録日2021-04-28
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ALU
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BU of 7alu by Molmil
NMR structure of a DNA G-quadruplex containing two SP1 binding sites from HIV-1 promoter
分子名称: DNA (5'-D(*AP*GP*GP*GP*AP*GP*GP*TP*GP*TP*GP*GP*CP*CP*TP*GP*GP*GP*CP*GP*GP*G)-3'), POTASSIUM ION
著者De Rache, A, Marquevielle, J, Amrane, S.
登録日2020-10-07
公開日2022-06-01
最終更新日2023-12-13
実験手法SOLUTION NMR
主引用文献Structure of a DNA G-quadruplex that modulates SP1 binding sites architecture in HIV-1 promoter.
J.Mol.Biol., 2023
8EPV
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BU of 8epv by Molmil
2.2 A crystal structure of the lipocalin cat allergen Fel d 7
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Fel d 7 allergen, ...
著者Min, J, Pedersen, L.C, Geoffrey, M.A.
登録日2022-10-06
公開日2023-04-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural and ligand binding analysis of the pet allergens Can f 1 and Fel d 7.
Front Allergy, 4, 2023
6YKK
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BU of 6ykk by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 15
分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
著者Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2020-04-06
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.236 Å)
主引用文献Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
6O3F
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BU of 6o3f by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis with complexed with L-lysine and a difluoro cyclohexyl chromone ligand
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, LYSINE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-02-26
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis with complexed with L-lysine and a difluoro cyclohexyl chromone ligand
to be published
6Y83
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Capsid structure of Leishmania RNA virus 1
分子名称: Capsid protein
著者Prochazkova, M, Fuzik, T, Grybtchuk, D, Falginella, F, Podesvova, L, Yurchenko, V, Vacha, R, Plevka, P.
登録日2020-03-03
公開日2020-11-11
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Capsid Structure of Leishmania RNA Virus 1.
J.Virol., 95, 2021
8KB7
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BU of 8kb7 by Molmil
Crystal structure of UDP/mannose-bound AGO61/beta-1,4-N-Acetylglucosaminyltransferase 2 (POMGNT2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2, ...
著者Satoh, T, Umezawa, F, Yagi, H, Kato, K.
登録日2023-08-04
公開日2024-08-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of UDP/mannose-bound AGO61/beta-1,4-N-Acetylglucosaminyltransferase 2 (POMGNT2)
To Be Published
6NNH
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BU of 6nnh by Molmil
Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil
分子名称: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ...
著者Giudice, J.H.P, Ribeiro, J.A, Dias, M.V.B.
登録日2019-01-15
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.523 Å)
主引用文献Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
8EQG
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Human PU.1 ETS-Domain (165-270) Bound to d(AATAAA(DU)GGAAGTGGG)
分子名称: DNA (5'-D(*AP*AP*DU*AP*AP*AP*TP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*AP*TP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-10-07
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EO4
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BU of 8eo4 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) with Di-methylated CpG sites
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-10-02
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EQK
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Human PU.1 ETS-Domain (165-270) Bound to d(AATAACCGGAAGTGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-10-07
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8EQL
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Human PU.1 ETS-Domain (165-270) Q226E Mutant Bound to d(AATAACCGGAAGTGGG)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*GP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-10-07
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023
8D1R
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BU of 8d1r by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT520
分子名称: 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine, GLYCEROL, N-acetyltransferase Eis
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-05-27
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
8D25
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Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT530
分子名称: 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-05-27
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
8EO1
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BU of 8eo1 by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGCGGAAGTGGG) with Hemi-methylated CpG (reverse strand)
分子名称: DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ...
著者Terrell, J.R, Poon, G.M.K.
登録日2022-10-01
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献DNA selection by the master transcription factor PU.1.
Cell Rep, 42, 2023

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件を2025-10-22に公開中

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