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8G3J
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BU of 8g3j by Molmil
Non-ribosomal PCP-C didomain R2577G (thioether stabilised glycolic acid) acceptor bound state
分子名称: N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2-hydroxyethyl)sulfanyl]ethyl}-beta-alaninamide, PCP-C didomain
著者Ho, Y.T.C, Izore, T, Cryle, M.J.
登録日2023-02-08
公開日2023-06-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin
Front Catal, 3, 2023
8UWW
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BU of 8uww by Molmil
The structure of the native cardiac thin filament troponin core in Ca2+-free state from the upper strand
分子名称: Actin, alpha cardiac muscle 1, Tropomyosin alpha-1 chain, ...
著者Galkin, V.E, Risi, C.M.
登録日2023-11-08
公開日2024-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.1 Å)
主引用文献Troponin Structural Dynamics in the Native Cardiac Thin Filament Revealed by Cryo Electron Microscopy.
J.Mol.Biol., 436, 2024
8UZY
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BU of 8uzy by Molmil
The structure of the native cardiac thin filament troponin core in Ca2+-bound partially activated state from the upper strand
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
著者Galkin, V.E, Risi, C.M.
登録日2023-11-16
公開日2024-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.3 Å)
主引用文献Troponin Structural Dynamics in the Native Cardiac Thin Filament Revealed by Cryo Electron Microscopy.
J.Mol.Biol., 436, 2024
8V01
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BU of 8v01 by Molmil
The structure of the native cardiac thin filament troponin core in Ca2+-bound fully activated state 1 from the lower strand
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
著者Galkin, V.E, Risi, C.M.
登録日2023-11-16
公開日2024-03-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Troponin Structural Dynamics in the Native Cardiac Thin Filament Revealed by Cryo Electron Microscopy.
J.Mol.Biol., 436, 2024
8FX7
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BU of 8fx7 by Molmil
Non-ribosomal PCP-C didomain (ester stabilised leucine) acceptor bound state
分子名称: 2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl L-leucinate, PCP-C didomain
著者Ho, Y.T.C, Cryle, M.J.
登録日2023-01-24
公開日2023-06-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
4XOO
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BU of 4xoo by Molmil
FMN complex of coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain)
分子名称: Coenzyme F420:L-glutamate ligase, FLAVIN MONONUCLEOTIDE
著者Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J.
登録日2015-01-16
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
8FX6
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BU of 8fx6 by Molmil
Non-ribosomal PCP-C didomain (amide stabilised leucine) acceptor bound state
分子名称: N-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]-L-leucinamide, PCP-C didomain
著者Ho, Y.T.C, Cryle, M.J.
登録日2023-01-24
公開日2023-06-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis.
Chem.Commun.(Camb.), 59, 2023
4MJ9
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BU of 4mj9 by Molmil
lambda-[Ru(TAP)2(dppz-10-Me)]2+ bound to a synthetic DNA oligomer
分子名称: (10-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+), BARIUM ION, CHLORIDE ION, ...
著者Hall, J.P, Cardin, C.J.
登録日2013-09-03
公開日2014-09-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru dppz Complexes to DNA
Organometallics, 2015
8JRU
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BU of 8jru by Molmil
Cryo-EM structure of the glucagon receptor bound to beta-arrestin 1 in ligand-free state
分子名称: Beta-arrestin 1 and single-chain fragment variable 30 (scFv30), HA signal peptide,HPC4 purification tag,Glucagon receptor,C-terminal tail of Vasopressin V2 receptor, Nanobody 32, ...
著者Chen, K, Zhang, C, Lin, S, Zhao, Q, Wu, B.
登録日2023-06-17
公開日2023-08-16
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Tail engagement of arrestin at the glucagon receptor.
Nature, 620, 2023
8JRV
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BU of 8jrv by Molmil
Cryo-EM structure of the glucagon receptor bound to glucagon and beta-arrestin 1
分子名称: Beta-arrestin 1 and single-chain fragment variable 30 (scFv30), Glucagon, HA signal peptide,HPC4 purification tag,Glucagon receptor,C-terminal tail of Vasopressin V2 receptor, ...
著者Chen, K, Zhang, C, Lin, S, Zhao, Q, Wu, B.
登録日2023-06-17
公開日2023-08-16
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Tail engagement of arrestin at the glucagon receptor.
Nature, 620, 2023
8BVD
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BU of 8bvd by Molmil
FimH lectin domain in complex with mannose C-linked to quinoline
分子名称: (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-quinolin-6-ylprop-2-enyl]oxane-3,4,5-triol, Type 1 fimbrin D-mannose specific adhesin
著者Bouckaert, J, Bridot, C.
登録日2022-12-03
公開日2023-02-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献Insightful Improvement in the Design of Potent Uropathogenic E. coli FimH Antagonists.
Pharmaceutics, 15, 2023
5E5Q
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BU of 5e5q by Molmil
Racemic snakin-1 in P21/c
分子名称: Snakin-1
著者Yeung, H, Squire, C.J, Yosaatmadja, Y, Panjikar, S, Baker, E.N, Harris, P.W.R, Brimble, M.A.
登録日2015-10-09
公開日2016-05-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Radiation Damage and Racemic Protein Crystallography Reveal the Unique Structure of the GASA/Snakin Protein Superfamily.
Angew.Chem.Int.Ed.Engl., 55, 2016
3DU8
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BU of 3du8 by Molmil
Crystal structure of GSK-3 beta in complex with NMS-869553A
分子名称: (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Glycogen synthase kinase-3 beta
著者Bossi, R.T.
登録日2008-07-17
公開日2009-03-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery.
J.Med.Chem., 52, 2009
9FRE
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BU of 9fre by Molmil
CryoEM structure of human rho1 GABAA receptor in complex with THIP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one, CHLORIDE ION, ...
著者Fan, C, Howard, R.J, Lindahl, E.
登録日2024-06-18
公開日2025-07-02
実験手法ELECTRON MICROSCOPY (2.19 Å)
主引用文献Cryo-EM structures of Rho1 GABAA receptors with antagonist and agonist drugs
To Be Published
7QK4
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BU of 7qk4 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683)
分子名称: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
著者Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
登録日2021-12-17
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
7QCR
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BU of 7qcr by Molmil
MLLT4/Afadin PDZ domain in complex with the C-terminal peptide from protein E of SARS-CoV-2
分子名称: Afadin, Envelope small membrane protein, SULFATE ION
著者Zhu, Y, Alvarez, F, Haouz, A, Mechaly, A, Caillet-Saguy, C.
登録日2021-11-25
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins.
Front Microbiol, 13, 2022
8SXH
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BU of 8sxh by Molmil
Structure of the C-terminal protease CtpA-LbcA complex of Pseudomonas aeruginosa
分子名称: Carboxyl-terminal protease, TPR repeat-containing protein PA4667, unidentified peptide
著者Hsu, H.-C, Li, H.
登録日2023-05-22
公開日2024-03-06
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.94 Å)
主引用文献P. aeruginosa CtpA protease adopts a novel activation mechanism to initiate the proteolytic process.
Embo J., 43, 2024
1ALE
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BU of 1ale by Molmil
CONFORMATION OF TWO PEPTIDES CORRESPONDING TO HUMAN APOLIPOPROTEIN C-I RESIDUES 7-24 AND 35-53 IN THE PRESENCE OF SODIUM DODECYLSULFATE BY CD AND NMR SPECTROSCOPY
分子名称: APOLIPOPROTEIN C-I PRECURSOR
著者Rozek, A, Buchko, G.W, Cushley, R.J.
登録日1995-02-20
公開日1995-04-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Conformation of two peptides corresponding to human apolipoprotein C-I residues 7-24 and 35-53 in the presence of sodium dodecyl sulfate by CD and NMR spectroscopy.
Biochemistry, 34, 1995
8CEA
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BU of 8cea by Molmil
Cytochrome c maturation complex CcmABCD, E154Q
分子名称: Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, Heme exporter protein C, ...
著者Ilcu, L, Zhang, L, Einsle, O.
登録日2023-02-01
公開日2023-09-06
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.94 Å)
主引用文献Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation.
Nat Commun, 14, 2023
197D
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BU of 197d by Molmil
ORTHORHOMBIC CRYSTAL STRUCTURE OF THE A-DNA OCTAMER D(GTACGTAC). COMPARISON WITH THE TETRAGONAL STRUCTURE
分子名称: DNA (5'-D(*GP*TP*AP*CP*GP*TP*AP*C)-3')
著者Langlois D'Estaintot, B, Dautant, A, Courseille, C, Precigoux, G.
登録日1994-11-24
公開日1995-02-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Orthorhombic crystal structure of the A-DNA octamer d(GTACGTAC). Comparison with the tetragonal structure.
Eur.J.Biochem., 213, 1993
9IHC
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BU of 9ihc by Molmil
CryoEM structure of a synthetic antibody, COP-2, in complex with the C-terminal domain of Clostridium perfringens Enterotoxin
分子名称: COP-2 antibody heavy chain, COP-2 antibody light chain, Heat-labile enterotoxin B chain
著者Pacesa, M, Goldbach, N, Vecchio, A.J, Correia, B.E.
登録日2025-02-21
公開日2025-03-12
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献CryoEM structure of synthetic antibody, COP-2, in complex with the C-terminal domain of Clostridium perfringens Enterotoxin
To Be Published
6S7N
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BU of 6s7n by Molmil
Crystal structure of orthorhombic lysozyme grown at pH 5.5 with a 26% of solvent content
分子名称: Lysozyme C, SULFATE ION
著者Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
登録日2019-07-05
公開日2019-11-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Major conformational changes in the structure of lysozyme obtained from a crystal with a very low solvent content.
Acta Crystallogr.,Sect.F, 75, 2019
8CE5
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BU of 8ce5 by Molmil
Cytochrome c maturation complex CcmABCD, E154Q, ATP-bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ...
著者Ilcu, L, Zhang, L, Einsle, O.
登録日2023-02-01
公開日2023-09-06
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.62 Å)
主引用文献Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation.
Nat Commun, 14, 2023
7ZP7
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BU of 7zp7 by Molmil
Crystal structure of evolved photoenzyme EnT1.3 (truncated) with bound product
分子名称: (1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one, 1,2-ETHANEDIOL, EnT1.3 C
著者Hardy, F.J, Levy, C.
登録日2022-04-26
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A designed photoenzyme for enantioselective [2+2] cycloadditions.
Nature, 611, 2022
4XOM
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BU of 4xom by Molmil
Coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain).
分子名称: Coenzyme F420:L-glutamate ligase, SULFATE ION
著者Rehan, A.M, Bashiri, G, Baker, H.M, Baker, E.N, Squire, C.J.
登録日2015-01-16
公開日2016-02-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016

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件を2025-07-09に公開中

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