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9QEG
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BU of 9qeg by Molmil
Cryo-EM structure of the 70S ribosome of a MLSb sensitive S. aureus strain "KES34" in complex with solithromycin
分子名称: (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S ribosomal RNA, 23S ribosomal RNA, ...
著者Rivalta, A, Yonath, A.
登録日2025-03-10
公開日2025-06-04
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.21 Å)
主引用文献Structural studies on ribosomes of differentially macrolide-resistant Staphylococcus aureus strains.
Life Sci Alliance, 8, 2025
6XS9
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BU of 6xs9 by Molmil
Crystal structure of human Vps29 complexed with RaPID-derived cyclic peptide RT-L1
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 48V-TYR-ILE-LYS-THR-PRO-LEU-GLY-THR-PHE-PRO-ASN-ARG-HIS-GLY, GLYCEROL, ...
著者Chen, K.-E, Guo, Q, Collins, B.M.
登録日2020-07-15
公開日2021-07-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
8C3V
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BU of 8c3v by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.2-13 Fab and C1 nanobody
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, BA.2-13 heavy chain, BA.2-13 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2022-12-28
公開日2023-03-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses.
Cell Rep, 42, 2023
6NJZ
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BU of 6njz by Molmil
EphA2 LBD in complex with YSA-GSGSK-bio peptide
分子名称: BIOTIN, Ephrin type-A receptor 2, GLYCEROL, ...
著者Lechtenberg, B.C, Pasquale, E.B.
登録日2019-01-04
公開日2019-05-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Engineering nanomolar peptide ligands that differentially modulate EphA2 receptor signaling.
J.Biol.Chem., 294, 2019
8QNU
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BU of 8qnu by Molmil
Metarhizium robertsii Woronin body major protein (HEX-1)
分子名称: Woronin body major protein
著者Boger, J, Redecke, L.
登録日2023-09-27
公開日2024-10-09
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Comparison of different HEX-1 proteins
To Be Published
7AD6
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BU of 7ad6 by Molmil
Crystal structure of human complement C5 in complex with the K92 bovine knob domain peptide.
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ...
著者Macpherson, A, van den Elsen, J.M.H, Schulze, M.E, Birtley, J.R.
登録日2020-09-14
公開日2021-03-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The allosteric modulation of Complement C5 by knob domain peptides.
Elife, 10, 2021
7PGJ
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BU of 7pgj by Molmil
Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-decarboxylate TamK and 10-hydroxylase RdmB, together with a single point mutation F297G
分子名称: Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, S-ADENOSYL-L-HOMOCYSTEINE, methyl (1R,2R,4S)-2-ethyl-7-methoxy-2,4,5-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
著者Dinis, P, MetsaKetela, M.
登録日2021-08-14
公開日2022-08-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
6PCS
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BU of 6pcs by Molmil
E. coli 50S ribosome bound to compound 40e
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-18
公開日2020-06-17
最終更新日2024-12-25
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
8QM9
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BU of 8qm9 by Molmil
Potential drug binding sites for translation initiation factor eIF4E
分子名称: (2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Cleasby, A.
登録日2023-09-21
公開日2025-01-15
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function.
Nat Commun, 15, 2024
6PJ0
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BU of 6pj0 by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-5 (NR01-97)
分子名称: 1,2-ETHANEDIOL, 1-ethylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3/4 Aprotease, ...
著者Zephyr, J, Schiffer, C.A.
登録日2019-06-27
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
7PYH
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BU of 7pyh by Molmil
Structure of LPMO in complex with cellotetraose at 1.45x10^6 Gy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
著者Tandrup, T, Lo Leggio, L.
登録日2021-10-10
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PYF
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BU of 7pyf by Molmil
Structure of LPMO in complex with cellotetraose at 1.39x10^5 Gy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
著者Tandrup, T, Lo Leggio, L.
登録日2021-10-10
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
8HFY
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BU of 8hfy by Molmil
SARS-CoV-2 Omicron BA.1 spike protein receptor-binding domain in complex with white-tailed deer ACE2
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, Angiotensin-converting enzyme, ...
著者Han, P, Meng, Y.M, Qi, J.X.
登録日2022-11-13
公開日2023-08-30
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8AGZ
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BU of 8agz by Molmil
Yeast RQC complex in state with the RING domain of Ltn1 in the OUT position
分子名称: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
著者Tesina, P, Buschauer, R, Beckmann, R.
登録日2022-07-20
公開日2023-03-08
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control.
Mol.Cell, 83, 2023
6P0M
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BU of 6p0m by Molmil
Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
分子名称: 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid, CALCIUM ION, CHLORIDE ION, ...
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Ghozayel, M.K, Xu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
7NVR
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BU of 7nvr by Molmil
Human Mediator with RNA Polymerase II Pre-initiation complex
分子名称: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
著者Rengachari, S, Schilbach, S, Aibara, S, Cramer, P.
登録日2021-03-15
公開日2021-05-05
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structures of mammalian RNA polymerase II pre-initiation complexes.
Nature, 594, 2021
7PYU
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BU of 7pyu by Molmil
Structure of an LPMO (expressed in E.coli) at 1.49x10^4 Gy
分子名称: ACETATE ION, Auxiliary activity 9, CHLORIDE ION, ...
著者Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L.
登録日2021-10-11
公開日2022-08-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7Q1K
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BU of 7q1k by Molmil
Crystal structure of the native AA9A LPMO from Thermoascus aurantiacus
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ...
著者Yu, W, Mohsin, I, Li, D.C, Papageorgiou, A.C.
登録日2021-10-20
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Purification and Structural Characterization of the Auxiliary Activity 9 Native Lytic Polysaccharide Monooxygenase from Thermoascus aurantiacus and Identification of Its C1- and C4-Oxidized Reaction Products
Catalysts, 12, 2022
6XRN
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BU of 6xrn by Molmil
Crystal structure of human PI3K-gamma in complex with Compound 17
分子名称: 2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Walker, N.P, Jeffrey, J.L.
登録日2020-07-13
公開日2021-11-03
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Design, Synthesis, and Structure-Activity Relationship Optimization of Pyrazolopyrimidine Amide Inhibitors of Phosphoinositide 3-Kinase gamma (PI3K gamma ).
J.Med.Chem., 65, 2022
6P12
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BU of 6p12 by Molmil
Structure of spastin AAA domain (wild-type) in complex with diaminotriazole-based inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-{[5-amino-1-(2-fluoro-6-methoxybenzene-1-carbonyl)-1H-1,2,4-triazol-3-yl]amino}-N-methylbenzamide, Drosophila melanogaster Spastin AAA domain, ...
著者Pisa, R, Cupido, T, Kapoor, T.M.
登録日2019-05-17
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94131851 Å)
主引用文献Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins.
Cell Chem Biol, 26, 2019
8FKY
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BU of 8fky by Molmil
Human nucleolar pre-60S ribosomal subunit (State F)
分子名称: 28S rRNA, 5.8S rRNA, 60S ribosomal protein L10a, ...
著者Vanden Broeck, A, Klinge, S.
登録日2022-12-21
公開日2023-07-12
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献Principles of human pre-60 S biogenesis.
Science, 381, 2023
8FKV
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BU of 8fkv by Molmil
Human nucleolar pre-60S ribosomal subunit (State D1)
分子名称: 28S rRNA, 5.8S rRNA, 60S ribosomal protein L10a, ...
著者Vanden Broeck, A, Klinge, S.
登録日2022-12-21
公開日2023-07-12
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.47 Å)
主引用文献Principles of human pre-60 S biogenesis.
Science, 381, 2023
8FKU
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BU of 8fku by Molmil
Human nucleolar pre-60S ribosomal subunit (State C2)
分子名称: 28S rRNA, 5.8S rRNA, 60S ribosomal protein L10a, ...
著者Vanden Broeck, A, Klinge, S.
登録日2022-12-21
公開日2023-07-12
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Principles of human pre-60 S biogenesis.
Science, 381, 2023
8FKX
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BU of 8fkx by Molmil
Human nucleolar pre-60S ribosomal subunit (State E)
分子名称: 28S rRNA, 5.8S rRNA, 60S ribosomal protein L10a, ...
著者Vanden Broeck, A, Klinge, S.
登録日2022-12-21
公開日2023-07-12
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Principles of human pre-60 S biogenesis.
Science, 381, 2023
8FKS
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BU of 8fks by Molmil
Human nucleolar pre-60S ribosomal subunit (State B2)
分子名称: 28S rRNA, 5.8S rRNA, 60S ribosomal protein L12, ...
著者Vanden Broeck, A, Klinge, S.
登録日2022-12-21
公開日2023-07-12
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Principles of human pre-60 S biogenesis.
Science, 381, 2023

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