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PDB: 40736 件

8C41
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High resolution structure of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*GP*AP*AP*T)-3'), ...
著者Najmudin, S, Pan, X.S, Wang, B, Chayen, N.E, Fisher, L.M, Sanderson, M.R.
登録日2022-12-30
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献The nature of the molecular interactions at high resolution of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin.
To Be Published
5MPS
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BU of 5mps by Molmil
Structure of a spliceosome remodeled for exon ligation
分子名称: GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ...
著者Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K.
登録日2016-12-18
公開日2017-01-18
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Structure of a spliceosome remodelled for exon ligation.
Nature, 542, 2017
7MYR
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BACE-1 in complex with compound #18
分子名称: (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ...
著者Hendle, J, Timm, D.E, Stout, S.L.
登録日2021-05-21
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
5MQ0
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BU of 5mq0 by Molmil
Structure of a spliceosome remodeled for exon ligation
分子名称: 3'-EXON OF UBC4 PRE-MRNA, BOUND BY PRP22 HELICASE, 5'-EXON OF UBC4 PRE-MRNA, ...
著者Fica, S.M, Oubridge, C, Galej, W.P, Wilkinson, M.E, Newman, A.J, Bai, X.-C, Nagai, K.
登録日2016-12-19
公開日2017-01-18
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (4.17 Å)
主引用文献Structure of a spliceosome remodelled for exon ligation.
Nature, 542, 2017
6XHY
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with telithromycin, mRNA, aminoacylated A- and P-site tRNAs, and deacylated E-site tRNA at 2.60A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Svetlov, M.S, Syroegin, E.A, Aleksandrova, E.V, Atkinson, G.C, Gregory, S.T, Mankin, A.S, Polikanov, Y.S.
登録日2020-06-19
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Erm-modified 70S ribosome reveals the mechanism of macrolide resistance.
Nat.Chem.Biol., 17, 2021
7MYU
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BU of 7myu by Molmil
BACE-1 in complex with compound #22
分子名称: Beta-secretase 1, N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide, SULFATE ION
著者Hendle, J, Timm, D.E, Stout, S.L.
登録日2021-05-21
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
7MYI
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BACE-1 in complex with compound #6
分子名称: (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL
著者Hendle, J, Timm, D.E, Stout, S.L.
登録日2021-05-21
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
6PK5
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BU of 6pk5 by Molmil
Adenylate kinase from Methanococcus igneus - apo form
分子名称: Adenylate kinase, CHLORIDE ION
著者Moon, S, Kim, J, Bae, E, Phillips Jr, G.N.
登録日2019-06-28
公開日2020-07-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Adenylate kinase from Methanococcus igneus - apo form
To Be Published
3ICQ
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BU of 3icq by Molmil
Karyopherin nuclear state
分子名称: Exportin-T, GTP-binding nuclear protein GSP1/CNR1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Cook, A.G, Fukuhara, N, Jinek, M, Conti, E.
登録日2009-07-18
公開日2009-08-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of the tRNA export factor in the nuclear and cytosolic states
Nature, 461, 2009
6XHV
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BU of 6xhv by Molmil
Crystal structure of the A2058-dimethylated Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A- and P-site tRNAs, and deacylated E-site tRNA at 2.40A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Svetlov, M.S, Syroegin, E.A, Aleksandrova, E.V, Atkinson, G.C, Gregory, S.T, Mankin, A.S, Polikanov, Y.S.
登録日2020-06-19
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of Erm-modified 70S ribosome reveals the mechanism of macrolide resistance.
Nat.Chem.Biol., 17, 2021
5K97
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BU of 5k97 by Molmil
Flap endonuclease 1 (FEN1) D233N with cleaved product fragment and Sm3+
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), ...
著者Tsutakawa, S.E, Arvai, A.S, Tainer, J.A.
登録日2016-05-31
公開日2017-06-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability.
Nat Commun, 8, 2017
6V64
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BU of 6v64 by Molmil
Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan
分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, Thrombin heavy chain, ...
著者Ruben, E.A, Chen, Z, Di Cera, E.
登録日2019-12-04
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献19F NMR reveals the conformational properties of free thrombin and its zymogen precursor prethrombin-2.
J.Biol.Chem., 295, 2020
4YO3
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BU of 4yo3 by Molmil
Enteroaggregative Escherichia Coli TssA N-terminal fragment
分子名称: TssA
著者Durand, E, Zoued, A, Spinelli, S, Douzi, B, Brunet, Y.R, Bebeacua, C, Legrand, P, Journet, L, Mignot, T, Cambillau, C, Cascales, E.
登録日2015-03-11
公開日2016-02-17
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Priming and polymerization of a bacterial contractile tail structure.
Nature, 531, 2016
6PKA
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BU of 6pka by Molmil
Structure of ClpP from Staphylococcus aureus in complex with ureadepsipeptide
分子名称: ATP-dependent Clp protease proteolytic subunit, OO1-WFP-SER-PRO-YCP-ALA-MP8 ureadepsipeptide
著者Griffith, E.C, Lee, R.E.
登録日2019-06-28
公開日2019-11-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 5, 2019
8U17
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BU of 8u17 by Molmil
The ternary complex structure of DDB1-CRBN-SALL4(ZF1,2)-long bound to Pomalidomide
分子名称: DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ...
著者Clifton, M.C, Ma, X, Ornelas, E.
登録日2023-08-30
公開日2023-12-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural and biophysical comparisons of the pomalidomide- and CC-220-induced interactions of SALL4 with cereblon.
Sci Rep, 13, 2023
5NFZ
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BU of 5nfz by Molmil
TUBULIN-MTC complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one, CALCIUM ION, ...
著者Field, J.J, Pera, B, Estevez Gallego, J, Calvo, E, Rodriguez-Salarichs, J, Saez-Calvo, G, Zuwerra, D, Jordi, M, Prota, A.E, Menchon, G, Miller, J.H, Altmann, K.-H, Diaz, J.F.
登録日2017-03-16
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Zampanolide Binding to Tubulin Indicates Cross-Talk of Taxane Site with Colchicine and Nucleotide Sites.
J. Nat. Prod., 81, 2018
5NHG
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BU of 5nhg by Molmil
Crystal structure of the human dihydrolipoamide dehydrogenase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, ...
著者Szabo, E, Mizsei, R, Wilk, P, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
登録日2017-03-21
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase.
Free Radic. Biol. Med., 124, 2018
7PWF
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BU of 7pwf by Molmil
Cryo-EM structure of small subunit of Giardia lamblia ribosome at 2.9 A resolution
分子名称: 40S ribosomal protein S21, 40S ribosomal protein S25, 40S ribosomal protein S26, ...
著者Hiregange, D.G, Rivalta, A, Bose, T, Breiner-Goldstein, E, Samiya, S, Cimicata, G, Kulakova, L, Zimmerman, E, Bashan, A, Herzberg, O, Yonath, A.
登録日2021-10-06
公開日2022-05-25
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Cryo-EM structure of the ancient eukaryotic ribosome from the human parasite Giardia lamblia.
Nucleic Acids Res., 50, 2022
5K77
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Dbr1 in complex with 7-mer branched RNA
分子名称: FE (II) ION, HYDROXIDE ION, RNA lariat debranching enzyme, ...
著者Clark, N.E, Taylor, A.B, Hart, P.J.
登録日2016-05-25
公開日2016-12-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Metal dependence and branched RNA cocrystal structures of the RNA lariat debranching enzyme Dbr1.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6XHW
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BU of 6xhw by Molmil
Crystal structure of the A2058-unmethylated Thermus thermophilus 70S ribosome in complex with mRNA, aminoacylated A- and P-site tRNAs, and deacylated E-site tRNA at 2.50A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Svetlov, M.S, Syroegin, E.A, Aleksandrova, E.V, Atkinson, G.C, Gregory, S.T, Mankin, A.S, Polikanov, Y.S.
登録日2020-06-19
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Erm-modified 70S ribosome reveals the mechanism of macrolide resistance.
Nat.Chem.Biol., 17, 2021
8FDR
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Structure of a dodecamer complex: 5'-CGCGAAAAGCCG-3-DB1476
分子名称: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*TP*TP*TP*CP*GP*CP*G)-3'), ...
著者Ogbonna, E, Wilson, W.D.
登録日2022-12-04
公開日2023-02-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
6PB1
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BU of 6pb1 by Molmil
Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 2 receptor in complex with Gs protein and Nb35
分子名称: CHOLESTEROL, Corticotropin-releasing factor receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Ma, S, Shen, Q, Zhao, L.-H, Mao, C, Zhou, X.E, Shen, D.-D, de Waal, P.W, Bi, P, Li, C, Jiang, Y, Wang, M.-W, Sexton, P.M, Wootten, D, Melcher, K, Zhang, Y, Xu, H.E.
登録日2019-06-12
公開日2020-02-12
最終更新日2020-02-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular Basis for Hormone Recognition and Activation of Corticotropin-Releasing Factor Receptors.
Mol.Cell, 77, 2020
6UVF
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BU of 6uvf by Molmil
Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
分子名称: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
7QD1
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BU of 7qd1 by Molmil
Structure of the orange carotenoid protein from Planktothrix agardhii binding echinenone in the P21 space group
分子名称: Orange carotenoid-binding protein, beta,beta-caroten-4-one
著者Andreeva, E.A, Hartmann, E, Schlichting, I, Colletier, J.-P.
登録日2021-11-26
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure-function-dynamics relationships in the peculiar Planktothrix PCC7805 OCP1: Impact of his-tagging and carotenoid type.
Biochim Biophys Acta Bioenerg, 1863, 2022
8FOM
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BU of 8fom by Molmil
Crystal structure of tRNA^Lys(SUU) bound to UAA codon in the ribosomal P site
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Nguyen, H.A, Hoffer, E.D, Maehigashi, T, Fagan, C.E, Dunham, C.M.
登録日2023-01-02
公開日2023-03-29
最終更新日2023-04-26
実験手法X-RAY DIFFRACTION (3.58 Å)
主引用文献Structural basis for reduced ribosomal A-site fidelity in response to P-site codon-anticodon mismatches.
J.Biol.Chem., 299, 2023

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