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5GXQ
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BU of 5gxq by Molmil
The crystal structure of the nucleosome containing H3.6
分子名称: DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Taguchi, H, Xie, Y, Horikoshi, N, Kurumizaka, H.
登録日2016-09-19
公開日2017-04-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal Structure and Characterization of Novel Human Histone H3 Variants, H3.6, H3.7, and H3.8
Biochemistry, 56, 2017
8R7A
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BU of 8r7a by Molmil
Complex of rice blast (Magnaporthe oryzae) effector protein PWL2 with the HMA domain of OsHIPP43 from rice (Oryza sativa)
分子名称: Os01g0507700 protein, Pwl2 protein
著者Zdrzalek, R, Banfield, M.J.
登録日2023-11-24
公開日2024-01-31
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bioengineering a plant NLR immune receptor with a robust binding interface toward a conserved fungal pathogen effector.
Proc.Natl.Acad.Sci.USA, 121, 2024
8R7D
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BU of 8r7d by Molmil
Complex of rice blast (Magnaporthe oryzae) mutant effector protein PWL2-SNDE with the HMA domain of OsHIPP43 from rice (Oryza sativa)
分子名称: Os01g0507700 protein, Pwl2 protein
著者Zdrzalek, R, Banfield, M.J.
登録日2023-11-24
公開日2024-01-31
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Bioengineering a plant NLR immune receptor with a robust binding interface toward a conserved fungal pathogen effector.
Proc.Natl.Acad.Sci.USA, 121, 2024
7ZPY
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BU of 7zpy by Molmil
Influenza polymerase A C-terminal domain of PA subunit with optimized small peptide inhibitor
分子名称: METHOXY-ETHOXYL, Peptide inhibitor (ASP-TYR-ASN-PRO-TYR-LEU-LEU-TYR-LEU-LYS), Polymerase acidic protein
著者Radilova, K, Brynda, J.
登録日2022-04-29
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Thermodynamic and structural characterization of an optimized peptide-based inhibitor of the influenza polymerase PA-PB1 subunit interaction.
Antiviral Res., 208, 2022
6DGF
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BU of 6dgf by Molmil
Ubiquitin Variant bound to USP2
分子名称: Polyubiquitin-B, SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 2, ...
著者Manczyk, N, Sicheri, F.
登録日2018-05-17
公開日2019-02-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Yeast Two-Hybrid Analysis for Ubiquitin Variant Inhibitors of Human Deubiquitinases.
J. Mol. Biol., 431, 2019
7C7V
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BU of 7c7v by Molmil
Vitamin D3 receptor/lithochoric acid derivative complex
分子名称: (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ...
著者Masuno, H, Numoto, N, Kagechika, H, Ito, N.
登録日2020-05-26
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists.
J.Med.Chem., 64, 2021
7C7W
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BU of 7c7w by Molmil
Vitamin D3 receptor/lithochoric acid derivative complex
分子名称: (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, FORMIC ACID, Mediator of RNA polymerase II transcription subunit 1, ...
著者Masuno, H, Numoto, N, Kagechika, H, Ito, N.
登録日2020-05-26
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Lithocholic Acid Derivatives as Potent Vitamin D Receptor Agonists.
J.Med.Chem., 64, 2021
8FDR
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BU of 8fdr by Molmil
Structure of a dodecamer complex: 5'-CGCGAAAAGCCG-3-DB1476
分子名称: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*TP*TP*TP*CP*GP*CP*G)-3'), ...
著者Ogbonna, E, Wilson, W.D.
登録日2022-12-04
公開日2023-02-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
5YC5
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BU of 5yc5 by Molmil
Crystal structure of human IgG-Fc in complex with aglycan and optimized Fc gamma receptor IIIa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Immunoglobulin gamma-1 heavy chain, ...
著者Caaveiro, J.M.M, Tamura, H, Tsumoto, K, Kiyoshi, M.
登録日2017-09-06
公開日2018-03-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Assessing the Heterogeneity of the Fc-Glycan of a Therapeutic Antibody Using an engineered Fc gamma Receptor IIIa-Immobilized Column.
Sci Rep, 8, 2018
1CYC
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BU of 1cyc by Molmil
THE CRYSTAL STRUCTURE OF BONITO (KATSUO) FERROCYTOCHROME C AT 2.3 ANGSTROMS RESOLUTION. II. STRUCTURE AND FUNCTION
分子名称: FERROCYTOCHROME C, HEME C
著者Tanaka, N, Yamane, T, Tsukihara, T, Ashida, T, Kakudo, M.
登録日1976-08-01
公開日1976-10-06
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of bonito (katsuo) ferrocytochrome c at 2.3 A resolution. II. Structure and function.
J.Biochem.(Tokyo), 77, 1975
7R0L
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BU of 7r0l by Molmil
Structure of the FK1 domain of the FKBP51 G64S variant in complex with SAFit1
分子名称: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者Meyners, C, Hausch, F.
登録日2022-02-02
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Binding pocket stabilization by high-throughput screening of yeast display libraries.
Front Mol Biosci, 9, 2022
5TTZ
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BU of 5ttz by Molmil
Crystal structure of Grp94 bound to isoform-selective inhibitor methyl 2-(2-(1-(4-bromobenzyl)-1H-imidazol-2-yl)ethyl)-3-chloro-4,6-dihydroxybenzoate
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, Endoplasmin, ...
著者Lieberman, R.L, Huard, D.J.E.
登録日2016-11-04
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.707 Å)
主引用文献Isoform-selective Hsp90 inhibition rescues model of hereditary open-angle glaucoma.
Sci Rep, 7, 2017
1GH8
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BU of 1gh8 by Molmil
SOLUTION STRUCTURE OF THE ARCHAEAL TRANSLATION ELONGATION FACTOR 1BETA FROM METHANOBACTERIUM THERMOAUTOTROPHICUM
分子名称: TRANSLATION ELONGATION FACTOR 1BETA
著者Kozlov, G, Ekiel, I, Gehring, K, Northeast Structural Genomics Consortium (NESG)
登録日2000-11-30
公開日2000-12-13
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Rapid fold and structure determination of the archaeal translation elongation factor 1beta from Methanobacterium thermoautotrophicum.
J.Biomol.NMR, 17, 2000
5AXQ
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BU of 5axq by Molmil
Crystal structure of the catalytic domain of PDE10A complexed with highly potent and brain-penetrant PDE10A Inhibitor with 2-oxindole scaffold
分子名称: 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one, 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one, MAGNESIUM ION, ...
著者Oki, H, Zama, Y.
登録日2015-07-31
公開日2015-11-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor
Bioorg.Med.Chem., 23, 2015
5AXP
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BU of 5axp by Molmil
Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one
分子名称: 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one, MAGNESIUM ION, ZINC ION, ...
著者Oki, H, Zama, Y.
登録日2015-07-31
公開日2015-11-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor
Bioorg.Med.Chem., 23, 2015
1GH9
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BU of 1gh9 by Molmil
SOLUTION STRUCTURE OF A 8.3 KDA PROTEIN (GENE MTH1184) FROM METHANOBACTERIUM THERMOAUTOTROPHICUM
分子名称: 8.3 KDA PROTEIN (GENE MTH1184)
著者Kozlov, G, Ekiel, I, Gehring, K, Northeast Structural Genomics Consortium (NESG)
登録日2000-11-30
公開日2000-12-11
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structural proteomics of an archaeon.
Nat.Struct.Biol., 7, 2000
1EJE
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BU of 1eje by Molmil
CRYSTAL STRUCTURE OF AN FMN-BINDING PROTEIN
分子名称: FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, NICKEL (II) ION, ...
著者Christendat, D, Saridakis, V, Bochkarev, A, Arrowsmith, C, Edwards, A.M, Northeast Structural Genomics Consortium (NESG)
登録日2000-03-02
公開日2000-10-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural proteomics of an archaeon.
Nat.Struct.Biol., 7, 2000
1EIJ
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BU of 1eij by Molmil
NMR ENSEMBLE OF METHANOBACTERIUM THERMOAUTOTROPHICUM PROTEIN 1615
分子名称: HYPOTHETICAL PROTEIN MTH1615
著者Christendat, D, Booth, V, Gernstein, M, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG)
登録日2000-02-25
公開日2000-11-03
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural proteomics of an archaeon.
Nat.Struct.Biol., 7, 2000
6VBX
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BU of 6vbx by Molmil
Crystal structure of Mcl-1 in complex with 138E12 peptide, Lys-covalent antagonist
分子名称: Induced myeloid leukemia cell differentiation protein Mcl-1, Synthetic peptide
著者Pellecchia, M, Perry, J.J, Kenjic, N, Assar, Z.
登録日2019-12-19
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, Synthesis, and Structural Characterization of Lysine Covalent BH3 Peptides Targeting Mcl-1.
J.Med.Chem., 64, 2021
1EP0
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BU of 1ep0 by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM
分子名称: DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE
著者Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG)
登録日2000-03-24
公開日2000-12-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP.
J.Biol.Chem., 275, 2000
1EPZ
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BU of 1epz by Molmil
CRYSTAL STRUCTURE OF DTDP-6-DEOXY-D-XYLO-4-HEXULOASE 3,5-EPIMERASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM WITH BOUND LIGAND.
分子名称: DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE, THYMIDINE-5'-DIPHOSPHATE
著者Christendat, D, Saridakis, V, Bochkarev, A, Pai, E.F, Arrowsmith, C, Edwards, A.M.
登録日2000-03-30
公開日2000-12-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP.
J.Biol.Chem., 275, 2000
6G01
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BU of 6g01 by Molmil
Complex of neuraminidase from H1N1 influenza virus with tamiphosphor monomethyl ester
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pachl, P, Pokorna, J.
登録日2018-03-15
公開日2019-01-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献DNA-linked inhibitor antibody assay (DIANA) as a new method for screening influenza neuraminidase inhibitors.
Biochem. J., 475, 2018
6G02
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BU of 6g02 by Molmil
Complex of neuraminidase from H1N1 influenza virus with tamiphosphor omega-azidohexyl ester
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium, ...
著者Pachl, P, Pokorna, J.
登録日2018-03-15
公開日2019-01-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献DNA-linked inhibitor antibody assay (DIANA) as a new method for screening influenza neuraminidase inhibitors.
Biochem. J., 475, 2018
8D0Z
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BU of 8d0z by Molmil
S728-1157 IgG in complex with SARS-CoV-2-6P-Mut7 Spike protein (focused refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S728-1157 Fab heavy chain variable region, S728-1157 Fab light chain variable region, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2022-05-26
公開日2023-03-22
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Site of vulnerability on SARS-CoV-2 spike induces broadly protective antibody against antigenically distinct Omicron subvariants.
J.Clin.Invest., 133, 2023
6HP0
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Complex of Neuraminidase from H1N1 Influenza Virus in Complex with Oseltamivir Triazol Derivative
分子名称: (3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pachl, P, Pokorna, J.
登録日2018-09-19
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Investigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1.
Bioorg.Med.Chem., 27, 2019

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