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5DGS
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BU of 5dgs by Molmil
Crystal structure of human FPPS in complex with the monophosphonate compound 15
分子名称: Farnesyl pyrophosphate synthase, {(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
著者Rondeau, J.M, Bourgier, E, Lehmann, S.
登録日2015-08-28
公開日2016-07-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献A General Strategy for Targeting Drugs to Bone.
Angew.Chem.Int.Ed.Engl., 54, 2015
6THD
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BU of 6thd by Molmil
Multiple Genomic RNA-Coat Protein Contacts Play Vital Roles in the Assembly of Infectious Enterovirus-E
分子名称: Genome polyprotein, MYRISTIC ACID, SULFATE ION
著者Chandler-Bostock, R, Mata, C.P, Bingham, R, Dykeman, E.J, Meng, B, Tuthill, T.J, Rowlands, D.J, Ranson, N.A, Twarock, R, Stockley, P.G.
登録日2019-11-19
公開日2020-12-09
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.23 Å)
主引用文献Assembly of infectious enteroviruses depends on multiple, conserved genomic RNA-coat protein contacts.
Plos Pathog., 16, 2020
5D6Q
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BU of 5d6q by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ...
著者Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C.
登録日2015-08-12
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors.
J.Med.Chem., 58, 2015
6THN
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BU of 6thn by Molmil
Multiple Genomic RNA-Coat Protein Contacts Play Vital Roles in the Assembly of Infectious Enterovirus-E symmetry expansion+2fold focused classification
分子名称: Genome polyprotein, MYRISTIC ACID, RNA Peak 9 Bernoulli Plot, ...
著者Chandler-Bostock, R, Mata, C.P, Bingham, R, Dykeman, E.J, Meng, B, Tuthill, T.J, Rowlands, D.J, Ranson, N.A, Twarock, R, Stockley, P.G.
登録日2019-11-20
公開日2020-12-09
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Assembly of infectious enteroviruses depends on multiple, conserved genomic RNA-coat protein contacts.
Plos Pathog., 16, 2020
6F6U
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BU of 6f6u by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-7b
分子名称: 2-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone, GLYCEROL, MAGNESIUM ION, ...
著者Prosdocimi, T, Donini, S, Parisini, E.
登録日2017-12-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.828 Å)
主引用文献Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6F8T
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BU of 6f8t by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-4a
分子名称: (2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol, MAGNESIUM ION, ZINC ION, ...
著者Prosdocimi, T, Donini, S, Parisini, E.
登録日2017-12-13
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
1TOE
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BU of 1toe by Molmil
Unliganded structure of Hexamutant + A293D mutant of E. coli aspartate aminotransferase
分子名称: Aspartate aminotransferase, SULFATE ION
著者Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F.
登録日2004-06-14
公開日2004-10-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase
Biochemistry, 43, 2004
8AYX
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BU of 8ayx by Molmil
Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8) in complex with GSH and GPP3
分子名称: 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, Capsid protein, VP0, ...
著者Bahar, M.W, Fry, E.E, Stuart, D.I.
登録日2022-09-04
公開日2022-12-07
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献A conserved glutathione binding site in poliovirus is a target for antivirals and vaccine stabilisation.
Commun Biol, 5, 2022
6L0S
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BU of 6l0s by Molmil
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with L-Cysteine
分子名称: (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Protein CysO
著者Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
登録日2019-09-26
公開日2020-09-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Identification of amino acid residues important for recognition of O-phospho-l-serine substrates by cysteine synthase.
J.Biosci.Bioeng., 131, 2021
6L0Q
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BU of 6l0q by Molmil
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with O-Phosphoserine
分子名称: (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Protein CysO
著者Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
登録日2019-09-26
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification of amino acid residues important for recognition of O-phospho-l-serine substrates by cysteine synthase.
J.Biosci.Bioeng., 131, 2021
6L0P
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BU of 6l0p by Molmil
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with O-Phosphoserine
分子名称: (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Protein CysO
著者Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
登録日2019-09-26
公開日2020-09-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Identification of amino acid residues important for recognition of O-phospho-l-serine substrates by cysteine synthase.
J.Biosci.Bioeng., 131, 2021
8AYJ
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BU of 8ayj by Molmil
Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiens complexed with 3-aminooxypropionic acid
分子名称: 1,2-ETHANEDIOL, 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid, Aminotransferase class IV, ...
著者Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Rakitina, T.V, Popov, V.O, Bezsudnova, E.Y.
登録日2022-09-02
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity.
Biochem.J., 480, 2023
6EUC
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BU of 6euc by Molmil
Reactivating oxime bound to Tc AChE's catalytic gorge.
分子名称: 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I.
登録日2017-10-30
公開日2018-11-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.21998858 Å)
主引用文献Potent 3-Hydroxy-2-Pyridine Aldoxime Reactivators of Organophosphate-Inhibited Cholinesterases with Predicted Blood-Brain Barrier Penetration.
Chemistry, 24, 2018
9O3L
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BU of 9o3l by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolide erythromycin, mRNA, deacylated A-site tRNAphe, P-site fMRC-peptidyl-tRNAmet, and deacylated E-site tRNAphe at 2.75A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Syroegin, E.A, Aleksandrova, E.V, Kruglov, A.A, Paranjpe, M.N, Svetlov, M.S, Polikanov, Y.S.
登録日2025-04-07
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural insights into context-specific inhibition of bacterial translation by macrolides.
Biorxiv, 2025
9O3I
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BU of 9o3i by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with ketolide telithromycin, mRNA, aminoacylated A-site Lys-tRNAlys, P-site fMRC-peptidyl-tRNAmet, and deacylated E-site tRNAlys at 2.80A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Syroegin, E.A, Aleksandrova, E.V, Kruglov, A.A, Paranjpe, M.N, Svetlov, M.S, Polikanov, Y.S.
登録日2025-04-07
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into context-specific inhibition of bacterial translation by macrolides.
Biorxiv, 2025
9O3K
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BU of 9o3k by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolide erythromycin, mRNA, aminoacylated A-site Lys-tRNAlys, P-site fMAC-peptidyl-tRNAmet, and deacylated E-site tRNAlys at 2.70A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Syroegin, E.A, Aleksandrova, E.V, Kruglov, A.A, Paranjpe, M.N, Svetlov, M.S, Polikanov, Y.S.
登録日2025-04-07
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insights into context-specific inhibition of bacterial translation by macrolides.
Biorxiv, 2025
9O3J
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BU of 9o3j by Molmil
Crystal structure of the wild-type drug-free Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A-site Lys-tRNAlys, P-site fMRC-peptidyl-tRNAmet, and deacylated E-site tRNAlys at 2.60A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Syroegin, E.A, Aleksandrova, E.V, Kruglov, A.A, Paranjpe, M.N, Svetlov, M.S, Polikanov, Y.S.
登録日2025-04-07
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into context-specific inhibition of bacterial translation by macrolides.
Biorxiv, 2025
9O3H
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BU of 9o3h by Molmil
Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with macrolide erythromycin, mRNA, aminoacylated A-site Lys-tRNAlys, P-site fMRC-peptidyl-tRNAmet, and deacylated E-site tRNAlys at 2.65A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Syroegin, E.A, Aleksandrova, E.V, Kruglov, A.A, Paranjpe, M.N, Svetlov, M.S, Polikanov, Y.S.
登録日2025-04-07
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural insights into context-specific inhibition of bacterial translation by macrolides.
Biorxiv, 2025
4V7H
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BU of 4v7h by Molmil
Structure of the 80S rRNA and proteins and P/E tRNA for eukaryotic ribosome based on cryo-EM map of Thermomyces lanuginosus ribosome at 8.9A resolution
分子名称: 18S rRNA, 26S ribosomal RNA, 40S ribosomal protein S0(A), ...
著者Taylor, D.J, Devkota, B, Huang, A.D, Topf, M, Narayanan, E, Sali, A, Harvey, S.C, Frank, J.
登録日2009-09-22
公開日2014-07-09
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (8.9 Å)
主引用文献Comprehensive molecular structure of the eukaryotic ribosome.
Structure, 17, 2009
4VUB
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BU of 4vub by Molmil
CCDB, A TOPOISOMERASE POISON FROM ESCHERICHIA COLI
分子名称: CCDB, CHLORIDE ION
著者Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L.
登録日1998-04-17
公開日1998-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
5QIT
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BU of 5qit by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102821
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(E)-(3-methylphenyl)methylidene]acetamide, ...
著者Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F.
登録日2018-08-10
公開日2019-12-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Covalent fragment group deposition
To Be Published
9M1H
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BU of 9m1h by Molmil
Cryo-EM structure of PGE2-EP1-Gq complex
分子名称: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Meng, X, Xu, Y, Xu, H.E.
登録日2025-02-26
公開日2025-04-30
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Structural Insights into the Activation of Human Prostaglandin E2 Receptor EP1 Subtype by Prostaglandin E2
To Be Published
5QIW
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BU of 5qiw by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102660
分子名称: N-[(E)-(4-methylphenyl)methylidene]acetamide, UNKNOWN LIGAND, Ubiquitin thioesterase OTUB2
著者Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F.
登録日2018-08-10
公開日2019-12-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Covalent fragment group deposition
To Be Published
7OVW
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BU of 7ovw by Molmil
Binding domain of botulinum neurotoxin E in complex with GD1a
分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Neurotoxin type E
著者Masuyer, G, Stenmark, P.
登録日2021-06-15
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of Ganglioside Receptor Recognition by Botulinum Neurotoxin Serotype E.
Int J Mol Sci, 22, 2021
7NSJ
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BU of 7nsj by Molmil
55S mammalian mitochondrial ribosome with tRNA(P/P) and tRNA(E*)
分子名称: 12S rRNA, 16S rRNA, 28S ribosomal protein S16, ...
著者Kummer, E, Schubert, K, Ban, N.
登録日2021-03-07
公開日2021-06-02
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis of translation termination, rescue, and recycling in mammalian mitochondria.
Mol.Cell, 81, 2021

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件を2025-07-09に公開中

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