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4UCD
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BU of 4ucd by Molmil
N-terminal globular domain of the RSV Nucleoprotein in complex with the Nucleoprotein Phosphoprotein interaction inhibitor M81
分子名称: 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid, NUCLEOPROTEIN, SULFATE ION
著者Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
登録日2014-12-03
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
4UC9
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N-terminal globular domain of the RSV Nucleoprotein in complex with C- terminal dipeptide of the Phosphoprotein
分子名称: ASPARTIC ACID, NUCLEOPROTEIN, PHENYLALANINE, ...
著者Ouizougun-Oubari, M, Pereira, N, Tarus, B, Galloux, M, Tortorici, M.-A, Hoos, S, Baron, B, England, P, Bontems, F, Rey, F.A, Eleouet, J.-F, Sizun, C, Slama-Schwok, A, Duquerroy, S.
登録日2014-12-03
公開日2015-08-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Druggable Pocket at the Nucleocapsid/Phosphoprotein Interaction Site of the Human Respiratory Syncytial Virus.
J.Virol., 89, 2015
2MEX
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BU of 2mex by Molmil
Structure of the tetrameric building block of the Salmonella Typhimurium PrgI Type three secretion system needle
分子名称: Protein PrgI
著者Loquet, A, Habenstein, B, Chevelkov, V, Giller, K, Becker, S, Lange, A.
登録日2013-10-01
公開日2013-12-25
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献Atomic structure and handedness of the building block of a biological assembly.
J.Am.Chem.Soc., 135, 2013
8SDX
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BU of 8sdx by Molmil
ATAD2B bromodomain in complex with histone H4 acetylated at lysine 5 with Serine 1 mutation to Cysteine
分子名称: ATPase family AAA domain-containing protein 2B, SULFATE ION, histone H4S1CK5ac
著者Phillips, M, Montgomery, C, Nix, J.C, Glass, K.C.
登録日2023-04-07
公開日2024-06-05
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Impact of Combinatorial Histone Modifications on Acetyllysine Recognition by the ATAD2 and ATAD2B Bromodomains.
J.Med.Chem., 67, 2024
4UJ1
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BU of 4uj1 by Molmil
Protein Kinase A in complex with an Inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
著者Alam, K.A, Engh, R.A.
登録日2015-04-07
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.768 Å)
主引用文献Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
6DMI
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BU of 6dmi by Molmil
A multiconformer ligand model of 5T5 bound to BACE-1
分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ...
著者Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H.
登録日2018-06-05
公開日2018-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
6DXZ
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BU of 6dxz by Molmil
Rabbit N-acylethanolamine-hydrolyzing acid amidase (NAAA) in complex with non-covalent benzothiazole-piperazine inhibitor ARN19702, in presence of Triton X-100
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, 4-(2,4,4-trimethylpentan-2-yl)phenol, ...
著者Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B.
登録日2018-07-01
公開日2018-09-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2M6N
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BU of 2m6n by Molmil
3D solution structure of EMI1 (Early Mitotic Inhibitor 1)
分子名称: F-box only protein 5, ZINC ION
著者Frye, J.J, Brown, N.G, Petzold, G, Watson, E.R, Royappa, G.R, Nourse, A, Jarvis, M, Kriwacki, R.W, Peters, J, Stark, H, Schulman, B.A.
登録日2013-04-06
公開日2013-05-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Electron microscopy structure of human APC/C(CDH1)-EMI1 reveals multimodal mechanism of E3 ligase shutdown.
Nat.Struct.Mol.Biol., 20, 2013
2MKP
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BU of 2mkp by Molmil
N domain of cardiac troponin C bound to the switch fragment of fast skeletal troponin I at pH 6
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles, ...
著者Robertson, I.M, Pineda-Sanabria, S.E, Holmes, P.C, Sykes, B.D.
登録日2014-02-11
公開日2014-02-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Conformation of the critical pH sensitive region of troponin depends upon a single residue in troponin I.
Arch.Biochem.Biophys., 552-553, 2014
8TFR
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BU of 8tfr by Molmil
Apo Fab from C10-S66K antibody
分子名称: Heavy chain from Fab of C10_S66K antibody, Immunoglobulin G-binding protein G, Light chain from Fab of C10_S66K antibody
著者Pholcharee, T, Wilson, I.A.
登録日2023-07-11
公開日2023-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献An Engineered Human-Antibody Fragment with Fentanyl Pan-Specificity That Reverses Carfentanil-Induced Respiratory Depression.
Acs Chem Neurosci, 14, 2023
4W9N
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BU of 4w9n by Molmil
Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase complexed with triclosan
分子名称: CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase, IMIDAZOLE, ...
著者Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A.
登録日2014-08-27
公開日2014-10-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition.
J.Biol.Chem., 289, 2014
2LZS
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BU of 2lzs by Molmil
TatA oligomer
分子名称: Sec-independent protein translocase protein TatA
著者Rodriguez, F.M, Berks, B.C, Schnell, J.R.
登録日2012-10-08
公開日2013-03-20
最終更新日2013-04-24
実験手法SOLUTION NMR
主引用文献Structural model for the protein-translocating element of the twin-arginine transport system.
Proc.Natl.Acad.Sci.USA, 110, 2013
2MC6
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BU of 2mc6 by Molmil
A bacteriophage transcription regulator inhibits bacterial transcription initiation by sigma-factor displacement
分子名称: DNA-directed RNA polymerase subunit beta', RNA polymerase inhibitor p7
著者Liu, B, Shadrin, A, Sheppard, C, Xu, Y, Severinov, K, Matthews, S, Wigneshweraraj, S.
登録日2013-08-15
公開日2014-04-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A bacteriophage transcription regulator inhibits bacterial transcription initiation by sigma-factor displacement.
Nucleic Acids Res., 42, 2014
2MDV
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BU of 2mdv by Molmil
NMR structure of beta alpha alpha 38
分子名称: Designed protein
著者Kier, B.L, Sheffler, W, Baker, D.
登録日2013-09-18
公開日2014-10-01
実験手法SOLUTION NMR
主引用文献Covalent Assembly of Homooligomeric Proteins Using Structure-templating Hubs
To be Published
2MHU
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BU of 2mhu by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF HUMAN [113CD7] METALLOTHIONEIN-2 IN SOLUTION DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
分子名称: CADMIUM ION, CD7 METALLOTHIONEIN-2
著者Braun, W, Messerle, B.A, Schaeffer, A, Vasak, M, Kaegi, J.H.R, Wuthrich, K.
登録日1990-05-14
公開日1991-04-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of human [113Cd7]metallothionein-2 in solution determined by nuclear magnetic resonance spectroscopy.
J.Mol.Biol., 214, 1990
4W82
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BU of 4w82 by Molmil
Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase
分子名称: CHLORIDE ION, Fatty acid synthase, MAGNESIUM ION, ...
著者Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A.
登録日2014-08-22
公開日2014-10-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition.
J.Biol.Chem., 289, 2014
2MLE
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BU of 2mle by Molmil
NMR structure of the C-domain of troponin C bound to the anchoring region of troponin I
分子名称: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles
著者Robertson, I.M, Baryshnikova, O.K, Mercier, P, Sykes, B.D.
登録日2014-02-26
公開日2014-03-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The dilated cardiomyopathy G159D mutation in cardiac troponin C weakens the anchoring interaction with troponin I.
Biochemistry, 47, 2008
5KPS
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BU of 5kps by Molmil
Structure of RelA bound to ribosome in absence of A/R tRNA (Structure I)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A.
登録日2016-07-05
公開日2016-09-28
最終更新日2019-11-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
6WD5
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BU of 6wd5 by Molmil
Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure II-C1)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Loveland, A.B, Demo, G, Korostelev, A.A.
登録日2020-03-31
公開日2020-07-08
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
5LBP
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BU of 5lbp by Molmil
Oceanobacillus iheyensis macrodomain mutant N30A
分子名称: MacroD-type macrodomain, PHOSPHATE ION
著者Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A.
登録日2016-06-16
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
2AWE
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BU of 2awe by Molmil
Base-Tetrad Swapping Results in Dimerization of RNA Quadruplexes: Implications for Formation of I-Motif RNA Octaplex
分子名称: 5'-R(*UP*(BGM)P*GP*UP*GP*U)-3', POTASSIUM ION, STRONTIUM ION
著者Pan, B, Shi, K, Sundaralingam, M.
登録日2005-08-31
公開日2006-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Base-tetrad swapping results in dimerization of RNA quadruplexes: implications for formation of the i-motif RNA octaplex.
Proc.Natl.Acad.Sci.Usa, 103, 2006
9B8E
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BU of 9b8e by Molmil
Structure of S-nitrosylated Legionella pneumophila Ceg10.
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Tomchick, D.R, Heisler, D.B, Alto, N.M.
登録日2024-03-29
公開日2024-04-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Exploiting bacterial effector proteins to uncover evolutionarily conserved antiviral host machinery.
Plos Pathog., 20, 2024
2AXV
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BU of 2axv by Molmil
Structure of PrgX Y153C mutant
分子名称: PrgX
著者Shi, K, Brown, C.K, Gu, Z.Y, Kozlowicz, B.K, Dunny, G.M, Ohlendorf, D.H, Earhart, C.A.
登録日2005-09-06
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of peptide sex pheromone receptor PrgX and PrgX/pheromone complexes and regulation of conjugation in Enterococcus faecalis.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2AZ2
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BU of 2az2 by Molmil
Flock House virus B2-dsRNA Complex (P4122)
分子名称: 5'-R(*GP*CP*AP*(5BU)P*GP*GP*AP*CP*GP*CP*GP*(5BU)P*CP*CP*AP*(5BU)P*GP*C)-3', B2 protein
著者Chao, J.A, Lee, J.H, Chapados, B.R, Debler, E.W, Schneemann, A, Williamson, J.R.
登録日2005-09-09
公開日2005-10-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Dual modes of RNA-silencing suppression by Flock House virus protein B2.
Nat.Struct.Mol.Biol., 12, 2005
2AZB
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HIV-1 Protease NL4-3 3X mutant in complex with inhibitor, TL-3
分子名称: PROTEASE RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
著者Heaslet, H, Kutilek, V, Morris, G.M, Lin, Y.-C, Elder, J.H, Torbett, B.E, Stout, C.D.
登録日2005-09-09
公開日2006-02-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Insights into the Mechanisms of Drug Resistance in HIV-1 Protease NL4-3
J.Mol.Biol., 356, 2006

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