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8CSQ
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BU of 8csq by Molmil
Human mitochondrial small subunit assembly intermediate (State B)
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Harper, N.J, Burnside, C, Klinge, S.
登録日2022-05-13
公開日2022-12-14
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Principles of mitoribosomal small subunit assembly in eukaryotes.
Nature, 614, 2023
9G38
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BU of 9g38 by Molmil
CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH SALVIANOLIC ACID P
分子名称: Carbonic anhydrase 2, GLYCEROL, Salvianolic acid P, ...
著者Alterio, V, De Simone, G.
登録日2024-07-11
公開日2025-01-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Depsides from Origanum dictamnus and Satureja pilosa as selective inhibitors of carbonic anhydrases: Isolation, structure elucidation, X-ray crystallography.
Arch Pharm, 358, 2025
6ZVA
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BU of 6zva by Molmil
Crystal structure of My5
分子名称: Myomesin-1, SULFATE ION
著者Sauer, F, Wilmanns, M.
登録日2020-07-24
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Crystal structure of Myomesin-1
To Be Published
6ZW1
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BU of 6zw1 by Molmil
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101
分子名称: 1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide, GLYCEROL, Histone deacetylase 6, ...
著者Barinka, C, Motlova, L, Ustinova, K.
登録日2020-07-27
公開日2021-08-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model.
J.Med.Chem., 64, 2021
8CSU
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BU of 8csu by Molmil
Human mitochondrial small subunit assembly intermediate (State C*)
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Harper, N.J, Burnside, C, Klinge, S.
登録日2022-05-13
公開日2022-12-14
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Principles of mitoribosomal small subunit assembly in eukaryotes.
Nature, 614, 2023
8ZMF
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BU of 8zmf by Molmil
Crystal structure of an inverse agonist antipsychotic drug derivative-bound 5-HT2C
分子名称: 1-[(4-fluorophenyl)methyl]-1-[(8~{S})-5-methyl-5-azaspiro[2.5]octan-8-yl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562
著者Oguma, T, Asada, H, Sekiguchi, Y, Imono, M, Iwata, S, Kusakabe, K.
登録日2024-05-23
公開日2024-08-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Dual 5-HT 2A and 5-HT 2C Receptor Inverse Agonist That Affords In Vivo Antipsychotic Efficacy with Minimal hERG Inhibition for the Treatment of Dementia-Related Psychosis.
J.Med.Chem., 67, 2024
7NZJ
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BU of 7nzj by Molmil
Structure of bsTrmB apo
分子名称: GLYCEROL, SODIUM ION, tRNA (guanine-N(7)-)-methyltransferase
著者Blersch, K.F, Ficner, R, Neumann, P.
登録日2021-03-24
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA.
Rna Biol., 18, 2021
8F7T
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BU of 8f7t by Molmil
Glycan-Base ConC Env Trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Env gp120, ...
著者Olia, A.S, Kwong, P.D.
登録日2022-11-20
公開日2023-09-27
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Soluble prefusion-closed HIV-envelope trimers with glycan-covered bases.
Iscience, 26, 2023
7NZI
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TrmB complex with SAH
分子名称: GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(7)-)-methyltransferase
著者Blersch, K.F, Ficner, R, Neumann, P.
登録日2021-03-24
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA.
Rna Biol., 18, 2021
8AXP
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BU of 8axp by Molmil
Neisseria gonorrhoeae peptidyl-tRNA hydrolase complexed with an XChem hit.
分子名称: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, Peptidyl-tRNA hydrolase, SULFATE ION
著者Roe, S.M, Fearon, D.
登録日2022-08-31
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Synthesis of a Thiazole Library via an Iridium-Catalyzed Sulfur Ylide Insertion Reaction.
Org.Lett., 24, 2022
5NAI
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BU of 5nai by Molmil
mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1)
分子名称: (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, Class B metallo-beta-lactamase, FLUORIDE ION, ...
著者Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2017-02-28
公開日2017-05-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
8HPZ
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BU of 8hpz by Molmil
Crystal structure of the MlaD domain of the MlaD protein from Escherichia coli (Form I)
分子名称: 1,2-ETHANEDIOL, CARBON DIOXIDE, Intermembrane phospholipid transport system binding protein MlaD
著者Dutta, A, Kanaujia, S.P.
登録日2022-12-13
公開日2024-01-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Structural Features of MlaD Illuminate its Unique Ligand-Transporting Mechanism and Ancestry.
Protein J., 43, 2024
7Z53
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BU of 7z53 by Molmil
Structure of native leukocyte myeloperoxidase in complex with a truncated version (SPIN truncated) of the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus
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Pfanzagl, V, Brito, J.A.
登録日2022-03-07
公開日2022-10-26
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献The staphylococcal inhibitory protein SPIN binds to human myeloperoxidase with picomolar affinity but only dampens halide oxidation.
J.Biol.Chem., 298, 2022
9GCC
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BU of 9gcc by Molmil
CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH COMPOUND47
分子名称: 1-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ...
著者Schaefer, M, Fuerstner, C.
登録日2024-08-01
公開日2024-11-27
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.793 Å)
主引用文献Discovery and Preclinical Characterization of Fulacimstat (BAY 1142524), a Potent and Selective Chymase Inhibitor As a New Profibrinolytic Approach for Safe Thrombus Resolution.
J.Med.Chem., 68, 2025
7OKA
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BU of 7oka by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 14
分子名称: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-(1~{H}-imidazol-4-ylmethyl)ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, CHLORIDE ION, ...
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-17
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OJQ
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BU of 7ojq by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 7
分子名称: 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-17
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
7OJW
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BU of 7ojw by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 93
分子名称: 2-[2-(2-ethylphenoxy)ethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-~{N}-methyl-ethanamide, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-17
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
3NXQ
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BU of 3nxq by Molmil
Angiotensin Converting Enzyme N domain glycsoylation mutant (Ndom389) in complex with RXP407
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, CHLORIDE ION, ...
著者Anthony, C.S, Corradi, H.R, Schwager, S.L.U, Redelinghuys, P, Georgiadis, D, Dive, V, Acharya, K.R, Sturrock, E.D.
登録日2010-07-14
公開日2010-09-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The N domain of human angiotensin-I-converting enzyme: the role of N-glycosylation and the crystal structure in complex with an N domain-specific phosphinic inhibitor, RXP407.
J.Biol.Chem., 285, 2010
8T3F
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BU of 8t3f by Molmil
Hypomethylated yeast 80S bound with Taura syndrome virus (TSV) internal ribosome entry site (IRES), eEF2, GDP, and sordarin, Structure V
分子名称: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
著者Zhao, Y, Li, H.
登録日2023-06-07
公開日2024-12-11
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Regulation of Translation by Ribosome RNA 2'-O-Methylation
To be Published
9GCF
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BU of 9gcf by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH ISOCUMARIN INHIBITOR CHF-6523
分子名称: 3-[(1S)-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]isochromen-1-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Pala, D, Bruno, P, Capelli, A.M, Biagetti, M.
登録日2024-08-01
公開日2024-12-18
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Discovery of CHF-6523, an Inhaled Selective PI3K delta Inhibitor for the Treatment of Chronic Obstructive Pulmonary Disease.
J.Med.Chem., 68, 2025
8T2X
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BU of 8t2x by Molmil
Hypomethylated yeast 80S bound with cycloheximide, P-site tRNA, A-site tRNA, messenger RNA and eIF5A, PRE
分子名称: 18S rRNA, 25S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
著者Zhao, Y, Li, H.
登録日2023-06-07
公開日2024-12-11
実験手法ELECTRON MICROSCOPY (2.46 Å)
主引用文献Regulation of Translation by Ribosome RNA 2'-Hydroxyl Methylation
To be published
8CK8
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BU of 8ck8 by Molmil
STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-Cyclohexyloxy-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol
分子名称: (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1
著者Musil, D.
登録日2023-02-14
公開日2023-07-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Discovery of Cycloalkyl[ c ]thiophenes as Novel Scaffolds for Hypoxia-Inducible Factor-2 alpha Inhibitors.
J.Med.Chem., 66, 2023
8T3E
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BU of 8t3e by Molmil
Hypomethylated yeast 80S bound with Taura syndrome virus (TSV) internal ribosome entry site (IRES), eEF2, GDP, and sordarin, Structure IV
分子名称: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
著者Zhao, Y, Li, H.
登録日2023-06-07
公開日2024-12-11
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structures of Hypopseudouridylated Ribosome in IRES-mediated Translation Initiation
To be Published
8CAI
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BU of 8cai by Molmil
Streptomycin and Hygromycin B bound to the 30S body
分子名称: 16S rRNA, 30S ribosomal protein S16, 30S ribosomal protein S2, ...
著者Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N.
登録日2023-01-24
公開日2023-07-26
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.08 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8T3C
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BU of 8t3c by Molmil
Hypomethylated yeast 80S bound with Taura syndrome virus (TSV) internal ribosome entry site (IRES), eEF2, GDP, and sordarin, Structure II
分子名称: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
著者Zhao, Y, Li, H.
登録日2023-06-07
公開日2024-12-11
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Regulation of Translation by Ribosome RNA 2'-O-Methylation
To Be Published

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件を2025-11-19に公開中

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