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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
Descriptor: Farnesyl pyrophosphate synthase, {(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-08-28
Release date:2016-07-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite: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
Descriptor: Genome polyprotein, MYRISTIC ACID, SULFATE ION
Authors: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.
Deposit date:2019-11-19
Release date:2020-12-09
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.23 Å)
Cite: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
Descriptor: (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, ...
Authors: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.
Deposit date:2015-08-12
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: Genome polyprotein, MYRISTIC ACID, RNA Peak 9 Bernoulli Plot, ...
Authors: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.
Deposit date:2019-11-20
Release date:2020-12-09
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite: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
Descriptor: 2-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone, GLYCEROL, MAGNESIUM ION, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.828 Å)
Cite: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
Descriptor: (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, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Aspartate aminotransferase, SULFATE ION
Authors:Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F.
Deposit date:2004-06-14
Release date:2004-10-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, Capsid protein, VP0, ...
Authors:Bahar, M.W, Fry, E.E, Stuart, D.I.
Deposit date:2022-09-04
Release date:2022-12-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite: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
Descriptor: (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
Authors:Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
Deposit date:2019-09-26
Release date:2020-09-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: (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
Authors:Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
Deposit date:2019-09-26
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
Descriptor: (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
Authors:Nakabayashi, M, Takeda, E, Ishikawa, K, Nakamura, T.
Deposit date:2019-09-26
Release date:2020-09-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid, Aminotransferase class IV, ...
Authors:Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Rakitina, T.V, Popov, V.O, Bezsudnova, E.Y.
Deposit date:2022-09-02
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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.
Descriptor: 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
Authors:de la Mora, E, Weik, M, Braiki, A, Mougeot, R, Jean, L, Renard, P.I.
Deposit date:2017-10-30
Release date:2018-11-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.21998858 Å)
Cite: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
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Syroegin, E.A, Aleksandrova, E.V, Kruglov, A.A, Paranjpe, M.N, Svetlov, M.S, Polikanov, Y.S.
Deposit date:2025-04-07
Release date:2025-06-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Syroegin, E.A, Aleksandrova, E.V, Kruglov, A.A, Paranjpe, M.N, Svetlov, M.S, Polikanov, Y.S.
Deposit date:2025-04-07
Release date:2025-06-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Syroegin, E.A, Aleksandrova, E.V, Kruglov, A.A, Paranjpe, M.N, Svetlov, M.S, Polikanov, Y.S.
Deposit date:2025-04-07
Release date:2025-06-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Syroegin, E.A, Aleksandrova, E.V, Kruglov, A.A, Paranjpe, M.N, Svetlov, M.S, Polikanov, Y.S.
Deposit date:2025-04-07
Release date:2025-06-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Syroegin, E.A, Aleksandrova, E.V, Kruglov, A.A, Paranjpe, M.N, Svetlov, M.S, Polikanov, Y.S.
Deposit date:2025-04-07
Release date:2025-06-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: 18S rRNA, 26S ribosomal RNA, 40S ribosomal protein S0(A), ...
Authors:Taylor, D.J, Devkota, B, Huang, A.D, Topf, M, Narayanan, E, Sali, A, Harvey, S.C, Frank, J.
Deposit date:2009-09-22
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (8.9 Å)
Cite: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
Descriptor: CCDB, CHLORIDE ION
Authors:Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L.
Deposit date:1998-04-17
Release date:1998-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(E)-(3-methylphenyl)methylidene]acetamide, ...
Authors: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.
Deposit date:2018-08-10
Release date:2019-12-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.46 Å)
Cite: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
Descriptor: (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, ...
Authors:Meng, X, Xu, Y, Xu, H.E.
Deposit date:2025-02-26
Release date:2025-04-30
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite: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
Descriptor: N-[(E)-(4-methylphenyl)methylidene]acetamide, UNKNOWN LIGAND, Ubiquitin thioesterase OTUB2
Authors: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.
Deposit date:2018-08-10
Release date:2019-12-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.71 Å)
Cite: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
Descriptor: 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
Authors:Masuyer, G, Stenmark, P.
Deposit date:2021-06-15
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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*)
Descriptor: 12S rRNA, 16S rRNA, 28S ribosomal protein S16, ...
Authors:Kummer, E, Schubert, K, Ban, N.
Deposit date:2021-03-07
Release date:2021-06-02
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of translation termination, rescue, and recycling in mammalian mitochondria.
Mol.Cell, 81, 2021

238582

数据于2025-07-09公开中

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