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6PQV
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BU of 6pqv by Molmil
E. coli ATP Synthase State 1e
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Stewart, A.G, Sobti, M, Walshe, J.L.
Deposit date:2019-07-10
Release date:2020-06-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
9C0C
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BU of 9c0c by Molmil
E.coli GroEL apoenzyme
Descriptor: 60 kDa chaperonin
Authors:Watson, E.R, Lander, G.C.
Deposit date:2024-05-25
Release date:2024-08-07
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target.
J.Am.Chem.Soc., 146, 2024
9C0B
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BU of 9c0b by Molmil
E.coli GroEL + PBZ1587 inhibitor
Descriptor: 60 kDa chaperonin, N-(2-{4-[4-(aminomethyl)benzene-1-sulfonamido]phenyl}-1,3-benzoxazol-5-yl)-5-chlorothiophene-2-sulfonamide
Authors:Watson, E.R, Lander, G.C.
Deposit date:2024-05-25
Release date:2024-08-07
Last modified:2024-08-14
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Bis-sulfonamido-2-phenylbenzoxazoles Validate the GroES/EL Chaperone System as a Viable Antibiotic Target.
J.Am.Chem.Soc., 146, 2024
6XZ7
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BU of 6xz7 by Molmil
E. coli 50S ribosomal subunit in complex with dirithromycin, fMet-Phe-tRNA(Phe) and deacylated tRNA(iMet).
Descriptor: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
Authors:Pichkur, E.B, Polikanov, Y.S, Myasnikov, A.G, Konevega, A.L.
Deposit date:2020-02-03
Release date:2020-07-22
Last modified:2025-03-12
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Insights into the improved macrolide inhibitory activity from the high-resolution cryo-EM structure of dirithromycin bound to theE. coli70S ribosome.
Rna, 26, 2020
4XS3
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BU of 4xs3 by Molmil
Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
Descriptor: (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y.
Deposit date:2015-01-21
Release date:2016-07-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.291 Å)
Cite:Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
9D89
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BU of 9d89 by Molmil
E. coli 50S ribosomal subunit in complex with PrAMP rumicidin-2 (focused refinement)
Descriptor: (2S)-2-amino-4-(methylsulfanyl)butane-1-thiol, 23S rRNA, 50S ribosomal protein L14, ...
Authors:Pichkur, E.B, Panteleev, P.V, Konevega, A.L.
Deposit date:2024-08-19
Release date:2025-01-22
Last modified:2025-03-19
Method:ELECTRON MICROSCOPY (1.95 Å)
Cite:Rumicidins are a family of mammalian host-defense peptides plugging the 70S ribosome exit tunnel.
Nat Commun, 15, 2024
8T0L
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BU of 8t0l by Molmil
E. coli Sw2/Snf2 ATPase RapA bound to both ADP-AlF3 and reconstituted E. coli RNA polymerase post-termination complex on negatively-supercoiled DNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, DNA (29-MER), ...
Authors:Brewer, J.J, Darst, S.A, Campbell, E.A.
Deposit date:2023-06-01
Release date:2025-04-02
Last modified:2025-04-30
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:RapA opens the RNA polymerase clamp to disrupt post-termination complexes and prevent cytotoxic R-loop formation.
Nat.Struct.Mol.Biol., 32, 2025
6OQS
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BU of 6oqs by Molmil
E. coli ATP synthase State 1b
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Stewart, A.G, Sobti, M, Walshe, J.L.
Deposit date:2019-04-29
Release date:2020-06-03
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6OQW
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BU of 6oqw by Molmil
E. coli ATP synthase State 3a
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Stewart, A.G, Sobti, M, Walshe, J.L.
Deposit date:2019-04-29
Release date:2020-06-24
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
6OQU
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BU of 6oqu by Molmil
E. coli ATP synthase State 1d
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Stewart, A.G, Sobti, M, Walshe, J.L.
Deposit date:2019-04-29
Release date:2020-06-03
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
8OG3
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BU of 8og3 by Molmil
E. coli NfsB triple mutant T41L/N71S/F124T bound to citrate
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, FLAVIN MONONUCLEOTIDE, ...
Authors:Day, M.A, White, S.A, Hyde, E.I, Searle, P.F.
Deposit date:2023-03-17
Release date:2023-04-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954.
Int J Mol Sci, 24, 2023
6OQR
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BU of 6oqr by Molmil
E. coli ATP Synthase ADP State 1a
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
Authors:Stewart, A.G, Walshe, J.L, Sobti, M.
Deposit date:2019-04-29
Release date:2020-06-03
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures provide insight into how E. coli F1FoATP synthase accommodates symmetry mismatch.
Nat Commun, 11, 2020
8PI3
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BU of 8pi3 by Molmil
Cathepsin S Y132D mutant in complex with NNPI-C10 inhibitor
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ...
Authors:Petruzzella, A, Lau, K, Pojer, F, Oricchio, E.
Deposit date:2023-06-21
Release date:2024-06-05
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 20, 2024
7Z16
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BU of 7z16 by Molmil
E. coli C-P lyase bound to PhnK/PhnL dual ABC dimer with AMPPNP and PhnK E171Q mutation
Descriptor: Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnH, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnI, ...
Authors:Amstrup, S.K, Sofus, N, Karlsen, J.L, Skjerning, R.B, Boesen, T, Enghild, J.J, Hove-Jensen, B, Brodersen, D.E.
Deposit date:2022-02-24
Release date:2022-06-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.09 Å)
Cite:Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase.
Nat Commun, 14, 2023
7P2N
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BU of 7p2n by Molmil
E.coli GyrB24 with inhibitor LSJ38 (EBL2684)
Descriptor: 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION
Authors:Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P.
Deposit date:2021-07-06
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Exploring the 5-Substituted 2-Aminobenzothiazole-Based DNA Gyrase B Inhibitors Active against ESKAPE Pathogens.
Acs Omega, 8, 2023
8DN0
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BU of 8dn0 by Molmil
E.coli DsbA in complex with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, N-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide, ...
Authors:Wang, G, Heras, B.
Deposit date:2022-07-10
Release date:2023-06-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:E.coli DsbA in complex with N-(2-fluorophenyl)-5-methylisoxazole-3-carboxamide
To Be Published
9CKW
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BU of 9ckw by Molmil
X-ray diffraction structure of papain co-crystallized with E-64D
Descriptor: METHANOL, Papain, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
Authors:Vlahakis, N.W, Rodriguez, J.A.
Deposit date:2024-07-10
Release date:2025-06-04
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enzymatic combinatorial synthesis of E-64 and related cysteine protease inhibitors.
Nat.Chem.Biol., 2025
6GRG
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BU of 6grg by Molmil
E. coli Microcin synthetase McbBCD complex with pro-MccB17, ADP and phosphate bound
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K.
Deposit date:2018-06-11
Release date:2019-01-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
4YCP
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BU of 4ycp by Molmil
E. coli dihydrouridine synthase C (DusC) in complex with tRNATrp
Descriptor: FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, SULFATE ION, ...
Authors:Byrne, R.T, Jenkins, H.T, Peters, D.T, Whelan, F, Stowell, J, Aziz, N, Kasatsky, P, Rodnina, M.V, Koonin, E.V, Konevega, A.L, Antson, A.A.
Deposit date:2015-02-20
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Major reorientation of tRNA substrates defines specificity of dihydrouridine synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
6GRI
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BU of 6gri by Molmil
E. coli Microcin synthetase McbBCD complex
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Microcin B17-processing protein McbB, ...
Authors:Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K.
Deposit date:2018-06-11
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
1AEC
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BU of 1aec by Molmil
CRYSTAL STRUCTURE OF ACTINIDIN-E-64 COMPLEX+
Descriptor: ACTINIDIN, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
Authors:Varughese, K.I.
Deposit date:1992-02-05
Release date:1993-10-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of an actinidin-E-64 complex.
Biochemistry, 31, 1992
6GRH
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BU of 6grh by Molmil
E. coli Microcin synthetase McbBCD complex with truncated pro-MccB17 bound
Descriptor: 1,2-ETHANEDIOL, Bacteriocin microcin B17, CHLORIDE ION, ...
Authors:Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K.
Deposit date:2018-06-11
Release date:2019-01-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
6GOS
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BU of 6gos by Molmil
E. coli Microcin synthetase McbBCD complex with pro-MccB17 bound
Descriptor: 1,2-ETHANEDIOL, Bacteriocin microcin B17, CHLORIDE ION, ...
Authors:Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K.
Deposit date:2018-06-04
Release date:2019-01-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison.
Mol. Cell, 73, 2019
3F1V
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BU of 3f1v by Molmil
E. coli Beta Sliding Clamp, 148-153 Ala Mutant
Descriptor: CALCIUM ION, CHLORIDE ION, DNA polymerase III subunit beta
Authors:Cody, V.
Deposit date:2008-10-28
Release date:2009-09-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Sliding clamp-DNA interactions are required for viability and contribute to DNA polymerase management in Escherichia coli.
J.Mol.Biol., 387, 2009
4YCO
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BU of 4yco by Molmil
E. coli dihydrouridine synthase C (DusC) in complex with tRNAPhe
Descriptor: FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Byrne, R.T, Jenkins, H.T, Peters, D.T, Whelan, F, Stowell, J, Aziz, N, Kasatsky, P, Rodnina, M.V, Koonin, E.V, Konevega, A.L, Antson, A.A.
Deposit date:2015-02-20
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Major reorientation of tRNA substrates defines specificity of dihydrouridine synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015

238582

数据于2025-07-09公开中

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